Warning: Permanently added '34.205.166.223' (ED25519) to the list of known hosts.
cmd: ['copr-distgit-client', 'sources']
cwd: /var/lib/copr-rpmbuild/workspace/workdir-fvxus_wi/python-ase
rc: 0
stdout: 
stderr: INFO: Reading stdout from command: git rev-parse --abbrev-ref HEAD
INFO: Reading stdout from command: git rev-parse HEAD
INFO: Reading sources specification file: sources
INFO: Downloading ase-3.23.0.tar.gz
INFO: Reading stdout from command: curl --help all
INFO: Calling: curl -H Pragma: -o ase-3.23.0.tar.gz --location --connect-timeout 60 --retry 3 --retry-delay 10 --remote-time --show-error --fail --retry-all-errors https://copr-dist-git.fedorainfracloud.org/repo/pkgs/thrnciar/pytest/python-ase/ase-3.23.0.tar.gz/md5/f880fae47c72d100c77ef9ccab0074f3/ase-3.23.0.tar.gz
  % Total    % Received % Xferd  Average Speed   Time    Time     Time  Current
                                 Dload  Upload   Total   Spent    Left  Speed
100 3217k  100 3217k    0     0   166M      0 --:--:-- --:--:-- --:--:--  174M
INFO: Reading stdout from command: md5sum ase-3.23.0.tar.gz

Running (timeout=18000): unbuffer mock --spec /var/lib/copr-rpmbuild/workspace/workdir-fvxus_wi/python-ase/python-ase.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-fvxus_wi/python-ase --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1725474323.679901 -r /var/lib/copr-rpmbuild/results/configs/child.cfg
INFO: mock.py version 5.6 starting (python version = 3.12.1, NVR = mock-5.6-1.fc39), args: /usr/libexec/mock/mock --spec /var/lib/copr-rpmbuild/workspace/workdir-fvxus_wi/python-ase/python-ase.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-fvxus_wi/python-ase --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1725474323.679901 -r /var/lib/copr-rpmbuild/results/configs/child.cfg
Start(bootstrap): init plugins
INFO: tmpfs initialized
INFO: selinux enabled
INFO: chroot_scan: initialized
INFO: compress_logs: initialized
Finish(bootstrap): init plugins
Start: init plugins
INFO: tmpfs initialized
INFO: selinux enabled
INFO: chroot_scan: initialized
INFO: compress_logs: initialized
Finish: init plugins
INFO: Signal handler active
Start: run
INFO: Start(/var/lib/copr-rpmbuild/workspace/workdir-fvxus_wi/python-ase/python-ase.spec)  Config(fedora-41-x86_64)
Start: clean chroot
Finish: clean chroot
Mock Version: 5.6
INFO: Mock Version: 5.6
Start(bootstrap): chroot init
INFO: mounting tmpfs at /var/lib/mock/fedora-41-x86_64-bootstrap-1725474323.679901/root.
INFO: calling preinit hooks
INFO: enabled root cache
INFO: enabled package manager cache
Start(bootstrap): cleaning package manager metadata
Finish(bootstrap): cleaning package manager metadata
INFO: Guessed host environment type: unknown
INFO: Using bootstrap image: registry.fedoraproject.org/fedora:41
INFO: Pulling image: registry.fedoraproject.org/fedora:41
INFO: Copy content of container registry.fedoraproject.org/fedora:41 to /var/lib/mock/fedora-41-x86_64-bootstrap-1725474323.679901/root
INFO: Checking that registry.fedoraproject.org/fedora:41 image matches host's architecture
INFO: mounting registry.fedoraproject.org/fedora:41 with podman image mount
INFO: image registry.fedoraproject.org/fedora:41 as /var/lib/containers/storage/overlay/f90a96f734823c955512bea1f3375745a611876676ecdcedd9d21240640f1467/merged
INFO: umounting image registry.fedoraproject.org/fedora:41 (/var/lib/containers/storage/overlay/f90a96f734823c955512bea1f3375745a611876676ecdcedd9d21240640f1467/merged) with podman image umount
INFO: Package manager dnf5 detected and used (fallback)
INFO: Not updating bootstrap chroot, bootstrap_image_ready=True
Start(bootstrap): creating root cache
Finish(bootstrap): creating root cache
Finish(bootstrap): chroot init
Start: chroot init
INFO: mounting tmpfs at /var/lib/mock/fedora-41-x86_64-1725474323.679901/root.
INFO: calling preinit hooks
INFO: enabled root cache
INFO: enabled package manager cache
Start: cleaning package manager metadata
Finish: cleaning package manager metadata
INFO: enabled HW Info plugin
INFO: Package manager dnf5 detected and used (direct choice)
INFO: Buildroot is handled by package management downloaded with a bootstrap image:
  rpm-4.19.92-6.fc41.x86_64
  rpm-sequoia-1.7.0-2.fc41.x86_64
  dnf5-5.2.5.0-2.fc41.x86_64
  dnf5-plugins-5.2.5.0-2.fc41.x86_64
Start: installing minimal buildroot with dnf5
Updating and loading repositories:
 updates                                100% | 104.8 KiB/s |  31.4 KiB |  00m00s
 fedora                                 100% |  37.8 MiB/s |  35.3 MiB |  00m01s
 Copr repository                        100% |  38.0 MiB/s |   1.7 MiB |  00m00s
Repositories loaded.
Package                            Arch   Version                    Repository      Size
Installing group/module packages:
 bash                              x86_64 5.2.32-1.fc41              fedora       8.2 MiB
 bzip2                             x86_64 1.0.8-19.fc41              fedora      95.7 KiB
 coreutils                         x86_64 9.5-9.fc41                 fedora       5.6 MiB
 cpio                              x86_64 2.15-2.fc41                fedora       1.1 MiB
 diffutils                         x86_64 3.10-8.fc41                fedora       1.6 MiB
 fedora-release-common             noarch 41-0.21                    fedora      19.4 KiB
 findutils                         x86_64 1:4.10.0-4.fc41            fedora       1.8 MiB
 gawk                              x86_64 5.3.0-4.fc41               fedora       1.7 MiB
 glibc-minimal-langpack            x86_64 2.40-3.fc41                fedora       0.0   B
 grep                              x86_64 3.11-9.fc41                fedora       1.0 MiB
 gzip                              x86_64 1.13-2.fc41                fedora     389.0 KiB
 info                              x86_64 7.1-3.fc41                 fedora     361.8 KiB
 patch                             x86_64 2.7.6-25.fc41              fedora     266.7 KiB
 redhat-rpm-config                 noarch 293-1.fc41                 fedora     183.5 KiB
 rpm-build                         x86_64 4.19.92-6.fc41             fedora     194.1 KiB
 sed                               x86_64 4.9-3.fc41                 fedora     861.5 KiB
 shadow-utils                      x86_64 2:4.15.1-9.fc41            fedora       4.1 MiB
 tar                               x86_64 2:1.35-4.fc41              fedora       2.9 MiB
 unzip                             x86_64 6.0-64.fc41                fedora     386.8 KiB
 util-linux                        x86_64 2.40.2-4.fc41              fedora       3.7 MiB
 which                             x86_64 2.21-42.fc41               fedora      80.2 KiB
 xz                                x86_64 1:5.6.2-2.fc41             fedora       1.2 MiB
Installing dependencies:
 add-determinism                   x86_64 0.3.6-1.fc41               fedora       2.2 MiB
 alternatives                      x86_64 1.30-1.fc41                fedora      66.3 KiB
 ansible-srpm-macros               noarch 1-16.fc41                  fedora      35.7 KiB
 audit-libs                        x86_64 4.0.2-1.fc41               fedora     331.3 KiB
 authselect                        x86_64 1.5.0-7.fc41               fedora     153.5 KiB
 authselect-libs                   x86_64 1.5.0-7.fc41               fedora     818.3 KiB
 basesystem                        noarch 11-21.fc41                 fedora       0.0   B
 binutils                          x86_64 2.43-3.fc41                fedora      27.5 MiB
 build-reproducibility-srpm-macros noarch 0.3.6-1.fc41               fedora     735.0   B
 bzip2-libs                        x86_64 1.0.8-19.fc41              fedora      80.7 KiB
 ca-certificates                   noarch 2024.2.68_v8.0.302-3.fc41  fedora       2.3 MiB
 coreutils-common                  x86_64 9.5-9.fc41                 fedora      11.2 MiB
 cracklib                          x86_64 2.9.11-6.fc41              fedora     238.9 KiB
 crypto-policies                   noarch 20240826-1.gite824389.fc41 fedora     136.9 KiB
 curl                              x86_64 8.9.1-2.fc41               fedora     796.2 KiB
 cyrus-sasl-lib                    x86_64 2.1.28-27.fc41             fedora       2.3 MiB
 debugedit                         x86_64 5.0-17.fc41                fedora     199.3 KiB
 dwz                               x86_64 0.15-7.fc41                fedora     290.9 KiB
 ed                                x86_64 1.20.2-2.fc41              fedora     146.9 KiB
 efi-srpm-macros                   noarch 5-12.fc41                  fedora      40.1 KiB
 elfutils                          x86_64 0.191-8.fc41               fedora       2.6 MiB
 elfutils-debuginfod-client        x86_64 0.191-8.fc41               fedora      64.9 KiB
 elfutils-default-yama-scope       noarch 0.191-8.fc41               fedora       1.8 KiB
 elfutils-libelf                   x86_64 0.191-8.fc41               fedora       1.2 MiB
 elfutils-libs                     x86_64 0.191-8.fc41               fedora     646.2 KiB
 fedora-gpg-keys                   noarch 41-0.4                     fedora     126.4 KiB
 fedora-release                    noarch 41-0.21                    fedora       0.0   B
 fedora-release-identity-basic     noarch 41-0.21                    fedora     684.0   B
 fedora-repos                      noarch 41-0.4                     fedora       4.9 KiB
 file                              x86_64 5.45-7.fc41                fedora     103.5 KiB
 file-libs                         x86_64 5.45-7.fc41                fedora       9.9 MiB
 filesystem                        x86_64 3.18-23.fc41               fedora     106.0   B
 fonts-srpm-macros                 noarch 1:2.0.5-17.fc41            fedora      55.8 KiB
 forge-srpm-macros                 noarch 0.3.2-1.fc41               copr_base   39.0 KiB
 fpc-srpm-macros                   noarch 1.3-13.fc41                fedora     144.0   B
 gdb-minimal                       x86_64 15.1-1.fc41                fedora      13.0 MiB
 gdbm                              x86_64 1:1.23-7.fc41              fedora     460.9 KiB
 gdbm-libs                         x86_64 1:1.23-7.fc41              fedora     121.9 KiB
 ghc-srpm-macros                   noarch 1.9.1-2.fc41               fedora     747.0   B
 glibc                             x86_64 2.40-3.fc41                fedora       6.7 MiB
 glibc-common                      x86_64 2.40-3.fc41                fedora       1.0 MiB
 glibc-gconv-extra                 x86_64 2.40-3.fc41                fedora       8.0 MiB
 gmp                               x86_64 1:6.3.0-2.fc41             fedora     811.4 KiB
 gnat-srpm-macros                  noarch 6-6.fc41                   fedora       1.0 KiB
 go-srpm-macros                    noarch 3.6.0-3.fc41               fedora      60.8 KiB
 jansson                           x86_64 2.13.1-10.fc41             fedora      88.3 KiB
 kernel-srpm-macros                noarch 1.0-24.fc41                fedora       1.9 KiB
 keyutils-libs                     x86_64 1.6.3-4.fc41               fedora      54.4 KiB
 krb5-libs                         x86_64 1.21.3-2.fc41              fedora       2.3 MiB
 libacl                            x86_64 2.3.2-2.fc41               fedora      40.0 KiB
 libarchive                        x86_64 3.7.4-3.fc41               fedora     922.6 KiB
 libattr                           x86_64 2.5.2-4.fc41               fedora      28.5 KiB
 libblkid                          x86_64 2.40.2-4.fc41              fedora     258.5 KiB
 libbrotli                         x86_64 1.1.0-5.fc41               fedora     837.6 KiB
 libcap                            x86_64 2.70-4.fc41                fedora     220.2 KiB
 libcap-ng                         x86_64 0.8.5-3.fc41               fedora      69.2 KiB
 libcom_err                        x86_64 1.47.1-3.fc41              fedora      67.2 KiB
 libcurl                           x86_64 8.9.1-2.fc41               fedora     818.1 KiB
 libeconf                          x86_64 0.6.2-3.fc41               fedora      58.0 KiB
 libevent                          x86_64 2.1.12-14.fc41             fedora     895.7 KiB
 libfdisk                          x86_64 2.40.2-4.fc41              fedora     362.9 KiB
 libffi                            x86_64 3.4.6-3.fc41               fedora      86.4 KiB
 libgcc                            x86_64 14.2.1-1.fc41              fedora     274.6 KiB
 libgomp                           x86_64 14.2.1-1.fc41              fedora     523.4 KiB
 libidn2                           x86_64 2.3.7-2.fc41               fedora     329.1 KiB
 libmount                          x86_64 2.40.2-4.fc41              fedora     351.8 KiB
 libnghttp2                        x86_64 1.62.1-2.fc41              fedora     166.1 KiB
 libnsl2                           x86_64 2.0.1-2.fc41               fedora      57.9 KiB
 libpkgconf                        x86_64 2.3.0-1.fc41               fedora      78.2 KiB
 libpsl                            x86_64 0.21.5-4.fc41              fedora      80.5 KiB
 libpwquality                      x86_64 1.4.5-11.fc41              fedora     417.8 KiB
 libselinux                        x86_64 3.7-5.fc41                 fedora     181.0 KiB
 libsemanage                       x86_64 3.7-2.fc41                 fedora     293.5 KiB
 libsepol                          x86_64 3.7-2.fc41                 fedora     817.8 KiB
 libsmartcols                      x86_64 2.40.2-4.fc41              fedora     180.4 KiB
 libssh                            x86_64 0.10.6-8.fc41              fedora     513.3 KiB
 libssh-config                     noarch 0.10.6-8.fc41              fedora     277.0   B
 libstdc++                         x86_64 14.2.1-1.fc41              fedora       2.8 MiB
 libtasn1                          x86_64 4.19.0-9.fc41              fedora     175.7 KiB
 libtirpc                          x86_64 1.3.5-0.fc41               fedora     202.7 KiB
 libtool-ltdl                      x86_64 2.4.7-12.fc41              fedora      66.2 KiB
 libunistring                      x86_64 1.1-8.fc41                 fedora       1.7 MiB
 libutempter                       x86_64 1.2.1-15.fc41              fedora      57.7 KiB
 libuuid                           x86_64 2.40.2-4.fc41              fedora      37.5 KiB
 libverto                          x86_64 0.3.2-9.fc41               fedora      29.5 KiB
 libxcrypt                         x86_64 4.4.36-7.fc41              fedora     266.8 KiB
 libxml2                           x86_64 2.12.8-2.fc41              fedora       1.7 MiB
 libzstd                           x86_64 1.5.6-2.fc41               fedora     795.9 KiB
 lua-libs                          x86_64 5.4.6-6.fc41               fedora     285.0 KiB
 lua-srpm-macros                   noarch 1-14.fc41                  fedora       1.3 KiB
 lz4-libs                          x86_64 1.10.0-1.fc41              fedora     145.5 KiB
 mpfr                              x86_64 4.2.1-5.fc41               fedora     832.1 KiB
 ncurses-base                      noarch 6.5-2.20240629.fc41        fedora     326.3 KiB
 ncurses-libs                      x86_64 6.5-2.20240629.fc41        fedora     975.2 KiB
 ocaml-srpm-macros                 noarch 10-3.fc41                  fedora       1.9 KiB
 openblas-srpm-macros              noarch 2-18.fc41                  fedora     112.0   B
 openldap                          x86_64 2.6.8-5.fc41               fedora     644.2 KiB
 openssl-libs                      x86_64 1:3.2.2-5.fc41             fedora       7.8 MiB
 p11-kit                           x86_64 0.25.5-3.fc41              fedora       2.2 MiB
 p11-kit-trust                     x86_64 0.25.5-3.fc41              fedora     391.4 KiB
 package-notes-srpm-macros         noarch 0.5-12.fc41                fedora       1.6 KiB
 pam                               x86_64 1.6.1-5.fc41               fedora       1.8 MiB
 pam-libs                          x86_64 1.6.1-5.fc41               fedora     139.0 KiB
 pcre2                             x86_64 10.44-1.fc41.1             fedora     653.5 KiB
 pcre2-syntax                      noarch 10.44-1.fc41.1             fedora     251.6 KiB
 perl-srpm-macros                  noarch 1-56.fc41                  fedora     861.0   B
 pkgconf                           x86_64 2.3.0-1.fc41               fedora      88.6 KiB
 pkgconf-m4                        noarch 2.3.0-1.fc41               fedora      14.4 KiB
 pkgconf-pkg-config                x86_64 2.3.0-1.fc41               fedora     989.0   B
 popt                              x86_64 1.19-7.fc41                fedora     136.9 KiB
 publicsuffix-list-dafsa           noarch 20240107-4.fc41            fedora      67.5 KiB
 pyproject-srpm-macros             noarch 1.14.0-1.fc41              copr_base    1.9 KiB
 python-srpm-macros                noarch 3.13-3.fc41                fedora      51.0 KiB
 qt5-srpm-macros                   noarch 5.15.14-3.fc41             fedora     500.0   B
 qt6-srpm-macros                   noarch 6.7.2-3.fc41               fedora     456.0   B
 readline                          x86_64 8.2-10.fc41                fedora     493.2 KiB
 rpm                               x86_64 4.19.92-6.fc41             fedora       3.1 MiB
 rpm-build-libs                    x86_64 4.19.92-6.fc41             fedora     206.7 KiB
 rpm-libs                          x86_64 4.19.92-6.fc41             fedora     721.9 KiB
 rpm-sequoia                       x86_64 1.7.0-2.fc41               fedora       2.4 MiB
 rust-srpm-macros                  noarch 26.3-3.fc41                copr_base    4.8 KiB
 setup                             noarch 2.15.0-5.fc41              fedora     720.7 KiB
 sqlite-libs                       x86_64 3.46.1-1.fc41              fedora       1.4 MiB
 systemd-libs                      x86_64 256.5-6.fc41               copr_base    2.0 MiB
 util-linux-core                   x86_64 2.40.2-4.fc41              fedora       1.5 MiB
 xxhash-libs                       x86_64 0.8.2-3.fc41               fedora      88.5 KiB
 xz-libs                           x86_64 1:5.6.2-2.fc41             fedora     214.4 KiB
 zig-srpm-macros                   noarch 1-3.fc41                   fedora       1.1 KiB
 zip                               x86_64 3.0-41.fc41                fedora     703.2 KiB
 zlib-ng-compat                    x86_64 2.1.7-2.fc41               fedora     134.0 KiB
 zstd                              x86_64 1.5.6-2.fc41               fedora       1.7 MiB
Installing groups:
 Buildsystem building group                                                              

Transaction Summary:
 Installing:      153 packages

Total size of inbound packages is 53 MiB. Need to download 53 MiB.
After this operation 180 MiB will be used (install 180 MiB, remove 0 B).
[  1/153] bzip2-0:1.0.8-19.fc41.x86_64  100% |   4.3 MiB/s |  52.5 KiB |  00m00s
[  2/153] coreutils-0:9.5-9.fc41.x86_64 100% |  73.3 MiB/s |   1.1 MiB |  00m00s
[  3/153] cpio-0:2.15-2.fc41.x86_64     100% |  71.2 MiB/s | 291.8 KiB |  00m00s
[  4/153] bash-0:5.2.32-1.fc41.x86_64   100% |  95.1 MiB/s |   1.8 MiB |  00m00s
[  5/153] diffutils-0:3.10-8.fc41.x86_6 100% |  66.0 MiB/s | 405.4 KiB |  00m00s
[  6/153] fedora-release-common-0:41-0. 100% |   4.5 MiB/s |  22.8 KiB |  00m00s
[  7/153] findutils-1:4.10.0-4.fc41.x86 100% | 107.1 MiB/s | 548.5 KiB |  00m00s
[  8/153] glibc-minimal-langpack-0:2.40 100% |  40.4 MiB/s | 124.0 KiB |  00m00s
[  9/153] grep-0:3.11-9.fc41.x86_64     100% |  73.2 MiB/s | 299.7 KiB |  00m00s
[ 10/153] gzip-0:1.13-2.fc41.x86_64     100% |  55.4 MiB/s | 170.2 KiB |  00m00s
[ 11/153] info-0:7.1-3.fc41.x86_64      100% |  89.1 MiB/s | 182.5 KiB |  00m00s
[ 12/153] patch-0:2.7.6-25.fc41.x86_64  100% |  63.9 MiB/s | 131.0 KiB |  00m00s
[ 13/153] redhat-rpm-config-0:293-1.fc4 100% |  40.1 MiB/s |  82.0 KiB |  00m00s
[ 14/153] rpm-build-0:4.19.92-6.fc41.x8 100% |  27.1 MiB/s |  83.4 KiB |  00m00s
[ 15/153] sed-0:4.9-3.fc41.x86_64       100% | 103.4 MiB/s | 317.7 KiB |  00m00s
[ 16/153] shadow-utils-2:4.15.1-9.fc41. 100% | 220.3 MiB/s |   1.3 MiB |  00m00s
[ 17/153] tar-2:1.35-4.fc41.x86_64      100% | 105.1 MiB/s | 860.7 KiB |  00m00s
[ 18/153] unzip-0:6.0-64.fc41.x86_64    100% |  25.8 MiB/s | 184.9 KiB |  00m00s
[ 19/153] which-0:2.21-42.fc41.x86_64   100% |   8.1 MiB/s |  41.6 KiB |  00m00s
[ 20/153] xz-1:5.6.2-2.fc41.x86_64      100% | 115.1 MiB/s | 471.5 KiB |  00m00s
[ 21/153] gawk-0:5.3.0-4.fc41.x86_64    100% | 133.9 MiB/s |   1.1 MiB |  00m00s
[ 22/153] util-linux-0:2.40.2-4.fc41.x8 100% | 100.4 MiB/s |   1.2 MiB |  00m00s
[ 23/153] filesystem-0:3.18-23.fc41.x86 100% |  90.6 MiB/s |   1.1 MiB |  00m00s
[ 24/153] glibc-0:2.40-3.fc41.x86_64    100% | 172.1 MiB/s |   2.2 MiB |  00m00s
[ 25/153] ncurses-libs-0:6.5-2.20240629 100% |  46.6 MiB/s | 334.0 KiB |  00m00s
[ 26/153] bzip2-libs-0:1.0.8-19.fc41.x8 100% |   6.7 MiB/s |  41.1 KiB |  00m00s
[ 27/153] coreutils-common-0:9.5-9.fc41 100% | 353.5 MiB/s |   2.1 MiB |  00m00s
[ 28/153] libacl-0:2.3.2-2.fc41.x86_64  100% |   3.4 MiB/s |  24.5 KiB |  00m00s
[ 29/153] libattr-0:2.5.2-4.fc41.x86_64 100% |   2.5 MiB/s |  18.2 KiB |  00m00s
[ 30/153] libcap-0:2.70-4.fc41.x86_64   100% |  42.3 MiB/s |  86.7 KiB |  00m00s
[ 31/153] libselinux-0:3.7-5.fc41.x86_6 100% |  85.7 MiB/s |  87.8 KiB |  00m00s
[ 32/153] openssl-libs-1:3.2.2-5.fc41.x 100% | 329.9 MiB/s |   2.3 MiB |  00m00s
[ 33/153] fedora-repos-0:41-0.4.noarch  100% |   1.1 MiB/s |   9.2 KiB |  00m00s
[ 34/153] glibc-common-0:2.40-3.fc41.x8 100% |  57.5 MiB/s | 412.3 KiB |  00m00s
[ 35/153] pcre2-0:10.44-1.fc41.1.x86_64 100% | 118.7 MiB/s | 243.1 KiB |  00m00s
[ 36/153] ed-0:1.20.2-2.fc41.x86_64     100% |  39.9 MiB/s |  81.8 KiB |  00m00s
[ 37/153] ansible-srpm-macros-0:1-16.fc 100% |  10.1 MiB/s |  20.8 KiB |  00m00s
[ 38/153] build-reproducibility-srpm-ma 100% |  10.4 MiB/s |  10.6 KiB |  00m00s
[ 39/153] dwz-0:0.15-7.fc41.x86_64      100% |  67.4 MiB/s | 138.0 KiB |  00m00s
[ 40/153] efi-srpm-macros-0:5-12.fc41.n 100% |  10.9 MiB/s |  22.4 KiB |  00m00s
[ 41/153] file-0:5.45-7.fc41.x86_64     100% |  24.0 MiB/s |  49.1 KiB |  00m00s
[ 42/153] fonts-srpm-macros-1:2.0.5-17. 100% |  26.3 MiB/s |  27.0 KiB |  00m00s
[ 43/153] fpc-srpm-macros-0:1.3-13.fc41 100% |   7.8 MiB/s |   8.0 KiB |  00m00s
[ 44/153] ghc-srpm-macros-0:1.9.1-2.fc4 100% |   8.8 MiB/s |   9.1 KiB |  00m00s
[ 45/153] gnat-srpm-macros-0:6-6.fc41.n 100% |   8.7 MiB/s |   9.0 KiB |  00m00s
[ 46/153] go-srpm-macros-0:3.6.0-3.fc41 100% |  27.3 MiB/s |  28.0 KiB |  00m00s
[ 47/153] kernel-srpm-macros-0:1.0-24.f 100% |   9.6 MiB/s |   9.9 KiB |  00m00s
[ 48/153] lua-srpm-macros-0:1-14.fc41.n 100% |   8.7 MiB/s |   8.9 KiB |  00m00s
[ 49/153] ocaml-srpm-macros-0:10-3.fc41 100% |   9.0 MiB/s |   9.2 KiB |  00m00s
[ 50/153] openblas-srpm-macros-0:2-18.f 100% |   7.5 MiB/s |   7.7 KiB |  00m00s
[ 51/153] package-notes-srpm-macros-0:0 100% |   9.6 MiB/s |   9.8 KiB |  00m00s
[ 52/153] perl-srpm-macros-0:1-56.fc41. 100% |   8.3 MiB/s |   8.5 KiB |  00m00s
[ 53/153] python-srpm-macros-0:3.13-3.f 100% |  23.2 MiB/s |  23.7 KiB |  00m00s
[ 54/153] qt5-srpm-macros-0:5.15.14-3.f 100% |   8.8 MiB/s |   9.0 KiB |  00m00s
[ 55/153] qt6-srpm-macros-0:6.7.2-3.fc4 100% |   8.9 MiB/s |   9.1 KiB |  00m00s
[ 56/153] rpm-0:4.19.92-6.fc41.x86_64   100% | 269.7 MiB/s | 552.4 KiB |  00m00s
[ 57/153] zig-srpm-macros-0:1-3.fc41.no 100% |   4.0 MiB/s |   8.1 KiB |  00m00s
[ 58/153] zip-0:3.0-41.fc41.x86_64      100% |  86.2 MiB/s | 264.8 KiB |  00m00s
[ 59/153] debugedit-0:5.0-17.fc41.x86_6 100% |  39.1 MiB/s |  80.1 KiB |  00m00s
[ 60/153] elfutils-0:0.191-8.fc41.x86_6 100% | 129.3 MiB/s | 529.4 KiB |  00m00s
[ 61/153] elfutils-libelf-0:0.191-8.fc4 100% |  33.8 MiB/s | 207.6 KiB |  00m00s
[ 62/153] libarchive-0:3.7.4-3.fc41.x86 100% |  66.6 MiB/s | 409.2 KiB |  00m00s
[ 63/153] popt-0:1.19-7.fc41.x86_64     100% |  16.1 MiB/s |  65.9 KiB |  00m00s
[ 64/153] readline-0:8.2-10.fc41.x86_64 100% |  52.0 MiB/s | 213.2 KiB |  00m00s
[ 65/153] rpm-build-libs-0:4.19.92-6.fc 100% |  24.3 MiB/s |  99.4 KiB |  00m00s
[ 66/153] rpm-libs-0:4.19.92-6.fc41.x86 100% |  60.4 MiB/s | 309.5 KiB |  00m00s
[ 67/153] zstd-0:1.5.6-2.fc41.x86_64    100% | 156.7 MiB/s | 481.5 KiB |  00m00s
[ 68/153] audit-libs-0:4.0.2-1.fc41.x86 100% |  41.1 MiB/s | 126.2 KiB |  00m00s
[ 69/153] libeconf-0:0.6.2-3.fc41.x86_6 100% |  10.5 MiB/s |  32.2 KiB |  00m00s
[ 70/153] libsemanage-0:3.7-2.fc41.x86_ 100% |  37.9 MiB/s | 116.3 KiB |  00m00s
[ 71/153] libxcrypt-0:4.4.36-7.fc41.x86 100% |  38.6 MiB/s | 118.5 KiB |  00m00s
[ 72/153] pam-libs-0:1.6.1-5.fc41.x86_6 100% |  14.0 MiB/s |  57.3 KiB |  00m00s
[ 73/153] setup-0:2.15.0-5.fc41.noarch  100% |  50.3 MiB/s | 154.4 KiB |  00m00s
[ 74/153] xz-libs-1:5.6.2-2.fc41.x86_64 100% |  36.4 MiB/s | 111.8 KiB |  00m00s
[ 75/153] mpfr-0:4.2.1-5.fc41.x86_64    100% | 169.1 MiB/s | 346.3 KiB |  00m00s
[ 76/153] libblkid-0:2.40.2-4.fc41.x86_ 100% |  60.9 MiB/s | 124.7 KiB |  00m00s
[ 77/153] libcap-ng-0:0.8.5-3.fc41.x86_ 100% |  15.9 MiB/s |  32.6 KiB |  00m00s
[ 78/153] libfdisk-0:2.40.2-4.fc41.x86_ 100% |  78.0 MiB/s | 159.8 KiB |  00m00s
[ 79/153] libmount-0:2.40.2-4.fc41.x86_ 100% |  76.0 MiB/s | 155.5 KiB |  00m00s
[ 80/153] libsmartcols-0:2.40.2-4.fc41. 100% |  40.9 MiB/s |  83.7 KiB |  00m00s
[ 81/153] libutempter-0:1.2.1-15.fc41.x 100% |  26.0 MiB/s |  26.6 KiB |  00m00s
[ 82/153] libuuid-0:2.40.2-4.fc41.x86_6 100% |  28.4 MiB/s |  29.1 KiB |  00m00s
[ 83/153] util-linux-core-0:2.40.2-4.fc 100% | 262.3 MiB/s | 537.2 KiB |  00m00s
[ 84/153] zlib-ng-compat-0:2.1.7-2.fc41 100% |  38.0 MiB/s |  77.8 KiB |  00m00s
[ 85/153] glibc-gconv-extra-0:2.40-3.fc 100% | 338.6 MiB/s |   1.7 MiB |  00m00s
[ 86/153] basesystem-0:11-21.fc41.noarc 100% |   2.4 MiB/s |   7.4 KiB |  00m00s
[ 87/153] libgcc-0:14.2.1-1.fc41.x86_64 100% |  32.3 MiB/s | 132.3 KiB |  00m00s
[ 88/153] ncurses-base-0:6.5-2.20240629 100% |  86.2 MiB/s |  88.3 KiB |  00m00s
[ 89/153] libsepol-0:3.7-2.fc41.x86_64  100% | 167.1 MiB/s | 342.2 KiB |  00m00s
[ 90/153] ca-certificates-0:2024.2.68_v 100% | 212.0 MiB/s | 868.2 KiB |  00m00s
[ 91/153] fedora-gpg-keys-0:41-0.4.noar 100% |  43.5 MiB/s | 133.6 KiB |  00m00s
[ 92/153] pcre2-syntax-0:10.44-1.fc41.1 100% |  73.2 MiB/s | 149.9 KiB |  00m00s
[ 93/153] add-determinism-0:0.3.6-1.fc4 100% | 415.9 MiB/s | 851.8 KiB |  00m00s
[ 94/153] file-libs-0:5.45-7.fc41.x86_6 100% | 186.0 MiB/s | 762.0 KiB |  00m00s
[ 95/153] curl-0:8.9.1-2.fc41.x86_64    100% |  76.9 MiB/s | 315.1 KiB |  00m00s
[ 96/153] elfutils-libs-0:0.191-8.fc41. 100% |  62.9 MiB/s | 257.5 KiB |  00m00s
[ 97/153] elfutils-debuginfod-client-0: 100% |  18.2 MiB/s |  37.2 KiB |  00m00s
[ 98/153] libstdc++-0:14.2.1-1.fc41.x86 100% | 288.6 MiB/s | 886.5 KiB |  00m00s
[ 99/153] libzstd-0:1.5.6-2.fc41.x86_64 100% | 101.0 MiB/s | 310.3 KiB |  00m00s
[100/153] libxml2-0:2.12.8-2.fc41.x86_6 100% | 167.8 MiB/s | 687.3 KiB |  00m00s
[101/153] lz4-libs-0:1.10.0-1.fc41.x86_ 100% |  23.0 MiB/s |  70.7 KiB |  00m00s
[102/153] libgomp-0:14.2.1-1.fc41.x86_6 100% | 114.9 MiB/s | 353.0 KiB |  00m00s
[103/153] lua-libs-0:5.4.6-6.fc41.x86_6 100% |  43.0 MiB/s | 132.0 KiB |  00m00s
[104/153] rpm-sequoia-0:1.7.0-2.fc41.x8 100% | 217.9 MiB/s | 892.5 KiB |  00m00s
[105/153] sqlite-libs-0:3.46.1-1.fc41.x 100% | 174.0 MiB/s | 712.7 KiB |  00m00s
[106/153] elfutils-default-yama-scope-0 100% |   4.0 MiB/s |  12.3 KiB |  00m00s
[107/153] authselect-libs-0:1.5.0-7.fc4 100% | 213.0 MiB/s | 218.1 KiB |  00m00s
[108/153] pam-0:1.6.1-5.fc41.x86_64     100% | 180.3 MiB/s | 554.0 KiB |  00m00s
[109/153] authselect-0:1.5.0-7.fc41.x86 100% | 142.3 MiB/s | 145.7 KiB |  00m00s
[110/153] gdbm-libs-1:1.23-7.fc41.x86_6 100% |  55.0 MiB/s |  56.3 KiB |  00m00s
[111/153] libnsl2-0:2.0.1-2.fc41.x86_64 100% |  28.9 MiB/s |  29.6 KiB |  00m00s
[112/153] libpwquality-0:1.4.5-11.fc41. 100% | 116.3 MiB/s | 119.0 KiB |  00m00s
[113/153] libtirpc-0:1.3.5-0.fc41.x86_6 100% |  91.9 MiB/s |  94.2 KiB |  00m00s
[114/153] cracklib-0:2.9.11-6.fc41.x86_ 100% |  89.9 MiB/s |  92.1 KiB |  00m00s
[115/153] krb5-libs-0:1.21.3-2.fc41.x86 100% | 246.5 MiB/s | 757.4 KiB |  00m00s
[116/153] libcom_err-0:1.47.1-3.fc41.x8 100% |  12.9 MiB/s |  26.4 KiB |  00m00s
[117/153] systemd-libs-0:256.5-6.fc41.x 100% |  54.9 MiB/s | 731.5 KiB |  00m00s
[118/153] keyutils-libs-0:1.6.3-4.fc41. 100% |  30.9 MiB/s |  31.6 KiB |  00m00s
[119/153] libverto-0:0.3.2-9.fc41.x86_6 100% |  20.2 MiB/s |  20.7 KiB |  00m00s
[120/153] alternatives-0:1.30-1.fc41.x8 100% |   5.9 MiB/s |  42.5 KiB |  00m00s
[121/153] jansson-0:2.13.1-10.fc41.x86_ 100% |   6.2 MiB/s |  44.4 KiB |  00m00s
[122/153] pkgconf-pkg-config-0:2.3.0-1. 100% |   3.3 MiB/s |  10.0 KiB |  00m00s
[123/153] pkgconf-0:2.3.0-1.fc41.x86_64 100% |  11.0 MiB/s |  45.2 KiB |  00m00s
[124/153] binutils-0:2.43-3.fc41.x86_64 100% | 379.5 MiB/s |   6.5 MiB |  00m00s
[125/153] pkgconf-m4-0:2.3.0-1.fc41.noa 100% |   2.3 MiB/s |  14.3 KiB |  00m00s
[126/153] libpkgconf-0:2.3.0-1.fc41.x86 100% |   6.3 MiB/s |  38.5 KiB |  00m00s
[127/153] pyproject-srpm-macros-0:1.14. 100% |  13.6 MiB/s |  13.9 KiB |  00m00s
[128/153] rust-srpm-macros-0:26.3-3.fc4 100% |  12.4 MiB/s |  12.7 KiB |  00m00s
[129/153] forge-srpm-macros-0:0.3.2-1.f 100% |   9.9 MiB/s |  20.2 KiB |  00m00s
[130/153] gdbm-1:1.23-7.fc41.x86_64     100% | 148.2 MiB/s | 151.8 KiB |  00m00s
[131/153] crypto-policies-0:20240826-1. 100% |  46.1 MiB/s |  94.5 KiB |  00m00s
[132/153] p11-kit-0:0.25.5-3.fc41.x86_6 100% | 159.8 MiB/s | 490.9 KiB |  00m00s
[133/153] libffi-0:3.4.6-3.fc41.x86_64  100% |  13.0 MiB/s |  39.9 KiB |  00m00s
[134/153] libtasn1-0:4.19.0-9.fc41.x86_ 100% |  24.2 MiB/s |  74.2 KiB |  00m00s
[135/153] p11-kit-trust-0:0.25.5-3.fc41 100% |  43.0 MiB/s | 132.1 KiB |  00m00s
[136/153] fedora-release-0:41-0.21.noar 100% |   5.9 MiB/s |  12.1 KiB |  00m00s
[137/153] xxhash-libs-0:0.8.2-3.fc41.x8 100% |   6.0 MiB/s |  37.1 KiB |  00m00s
[138/153] gmp-1:6.3.0-2.fc41.x86_64     100% |  44.4 MiB/s | 318.0 KiB |  00m00s
[139/153] fedora-release-identity-basic 100% |   2.5 MiB/s |  12.8 KiB |  00m00s
[140/153] gdb-minimal-0:15.1-1.fc41.x86 100% | 239.6 MiB/s |   4.3 MiB |  00m00s
[141/153] libcurl-0:8.9.1-2.fc41.x86_64 100% |  39.3 MiB/s | 361.9 KiB |  00m00s
[142/153] libbrotli-0:1.1.0-5.fc41.x86_ 100% |  66.5 MiB/s | 340.5 KiB |  00m00s
[143/153] libidn2-0:2.3.7-2.fc41.x86_64 100% | 115.6 MiB/s | 118.4 KiB |  00m00s
[144/153] libnghttp2-0:1.62.1-2.fc41.x8 100% |  74.9 MiB/s |  76.6 KiB |  00m00s
[145/153] libpsl-0:0.21.5-4.fc41.x86_64 100% |  62.6 MiB/s |  64.1 KiB |  00m00s
[146/153] libssh-0:0.10.6-8.fc41.x86_64 100% | 103.4 MiB/s | 211.8 KiB |  00m00s
[147/153] openldap-0:2.6.8-5.fc41.x86_6 100% | 124.8 MiB/s | 255.6 KiB |  00m00s
[148/153] libunistring-0:1.1-8.fc41.x86 100% | 177.4 MiB/s | 544.8 KiB |  00m00s
[149/153] publicsuffix-list-dafsa-0:202 100% |  11.4 MiB/s |  58.3 KiB |  00m00s
[150/153] libssh-config-0:0.10.6-8.fc41 100% |   1.8 MiB/s |   9.2 KiB |  00m00s
[151/153] cyrus-sasl-lib-0:2.1.28-27.fc 100% | 129.4 MiB/s | 794.9 KiB |  00m00s
[152/153] libevent-0:2.1.12-14.fc41.x86 100% |  62.9 MiB/s | 257.5 KiB |  00m00s
[153/153] libtool-ltdl-0:2.4.7-12.fc41. 100% |  11.6 MiB/s |  35.6 KiB |  00m00s
--------------------------------------------------------------------------------
[153/153] Total                         100% | 105.6 MiB/s |  53.2 MiB |  00m01s
Running transaction
Importing PGP key 0xE99D6AD1:
 Userid     : "Fedora (41) <fedora-41-primary@fedoraproject.org>"
 Fingerprint: 466CF2D8B60BC3057AA9453ED0622462E99D6AD1
 From       : file:///usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-41-primary
The key was successfully imported.
[  1/155] Verify package files          100% | 944.0   B/s | 153.0   B |  00m00s
>>> Running pre-transaction scriptlet: filesystem-0:3.18-23.fc41.x86_64
>>> Stop pre-transaction scriptlet: filesystem-0:3.18-23.fc41.x86_64
[  2/155] Prepare transaction           100% |   4.5 KiB/s | 153.0   B |  00m00s
[  3/155] Installing libgcc-0:14.2.1-1. 100% | 269.8 MiB/s | 276.3 KiB |  00m00s
>>> Running post-install scriptlet: libgcc-0:14.2.1-1.fc41.x86_64
>>> Stop post-install scriptlet: libgcc-0:14.2.1-1.fc41.x86_64
[  4/155] Installing libssh-config-0:0. 100% |   0.0   B/s | 816.0   B |  00m00s
[  5/155] Installing publicsuffix-list- 100% |   0.0   B/s |  68.3 KiB |  00m00s
[  6/155] Installing fedora-release-ide 100% |   0.0   B/s | 940.0   B |  00m00s
[  7/155] Installing fedora-gpg-keys-0: 100% |  56.1 MiB/s | 172.2 KiB |  00m00s
[  8/155] Installing fedora-repos-0:41- 100% |   0.0   B/s |   5.7 KiB |  00m00s
[  9/155] Installing fedora-release-com 100% |  23.1 MiB/s |  23.7 KiB |  00m00s
[ 10/155] Installing fedora-release-0:4 100% |   0.0   B/s | 124.0   B |  00m00s
[ 11/155] Installing setup-0:2.15.0-5.f 100% |  64.5 MiB/s | 726.1 KiB |  00m00s
>>> Running post-install scriptlet: setup-0:2.15.0-5.fc41.noarch
>>> Stop post-install scriptlet: setup-0:2.15.0-5.fc41.noarch
[ 12/155] Installing filesystem-0:3.18- 100% |   3.8 MiB/s | 212.5 KiB |  00m00s
[ 13/155] Installing basesystem-0:11-21 100% |   0.0   B/s | 124.0   B |  00m00s
[ 14/155] Installing rust-srpm-macros-0 100% |   0.0   B/s |   5.6 KiB |  00m00s
[ 15/155] Installing pkgconf-m4-0:2.3.0 100% |   0.0   B/s |  14.8 KiB |  00m00s
[ 16/155] Installing pcre2-syntax-0:10. 100% | 248.1 MiB/s | 254.1 KiB |  00m00s
[ 17/155] Installing ncurses-base-0:6.5 100% | 114.5 MiB/s | 351.7 KiB |  00m00s
[ 18/155] Installing glibc-minimal-lang 100% |   0.0   B/s | 124.0   B |  00m00s
[ 19/155] Installing ncurses-libs-0:6.5 100% | 239.7 MiB/s | 981.8 KiB |  00m00s
>>> Running pre-install scriptlet: glibc-0:2.40-3.fc41.x86_64
>>> Stop pre-install scriptlet: glibc-0:2.40-3.fc41.x86_64
warning: posix.fork(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
warning: posix.wait(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
warning: posix.exec(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
warning: posix.fork(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
warning: posix.wait(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
warning: posix.exec(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
[ 20/155] Installing glibc-0:2.40-3.fc4 100% | 267.1 MiB/s |   6.7 MiB |  00m00s
>>> Running post-install scriptlet: glibc-0:2.40-3.fc41.x86_64
>>> Stop post-install scriptlet: glibc-0:2.40-3.fc41.x86_64
[ 21/155] Installing bash-0:5.2.32-1.fc 100% | 430.0 MiB/s |   8.2 MiB |  00m00s
>>> Running post-install scriptlet: bash-0:5.2.32-1.fc41.x86_64
>>> Stop post-install scriptlet: bash-0:5.2.32-1.fc41.x86_64
[ 22/155] Installing glibc-common-0:2.4 100% | 209.4 MiB/s |   1.0 MiB |  00m00s
warning: posix.fork(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
warning: posix.wait(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
warning: posix.exec(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
[ 23/155] Installing glibc-gconv-extra- 100% | 279.3 MiB/s |   8.1 MiB |  00m00s
>>> Running post-install scriptlet: glibc-gconv-extra-0:2.40-3.fc41.x86_64
>>> Stop post-install scriptlet: glibc-gconv-extra-0:2.40-3.fc41.x86_64
[ 24/155] Installing zlib-ng-compat-0:2 100% | 131.7 MiB/s | 134.8 KiB |  00m00s
[ 25/155] Installing bzip2-libs-0:1.0.8 100% |   0.0   B/s |  81.8 KiB |  00m00s
[ 26/155] Installing xz-libs-1:5.6.2-2. 100% | 210.4 MiB/s | 215.5 KiB |  00m00s
[ 27/155] Installing popt-0:1.19-7.fc41 100% |  70.1 MiB/s | 143.5 KiB |  00m00s
[ 28/155] Installing readline-0:8.2-10. 100% | 483.7 MiB/s | 495.3 KiB |  00m00s
[ 29/155] Installing libuuid-0:2.40.2-4 100% |   0.0   B/s |  38.6 KiB |  00m00s
[ 30/155] Installing libblkid-0:2.40.2- 100% | 253.4 MiB/s | 259.5 KiB |  00m00s
[ 31/155] Installing libattr-0:2.5.2-4. 100% |   0.0   B/s |  29.5 KiB |  00m00s
[ 32/155] Installing libacl-0:2.3.2-2.f 100% |   0.0   B/s |  40.7 KiB |  00m00s
[ 33/155] Installing libxcrypt-0:4.4.36 100% | 263.2 MiB/s | 269.5 KiB |  00m00s
[ 34/155] Installing libstdc++-0:14.2.1 100% | 395.8 MiB/s |   2.8 MiB |  00m00s
[ 35/155] Installing libzstd-0:1.5.6-2. 100% | 389.3 MiB/s | 797.2 KiB |  00m00s
[ 36/155] Installing elfutils-libelf-0: 100% | 389.7 MiB/s |   1.2 MiB |  00m00s
[ 37/155] Installing gmp-1:6.3.0-2.fc41 100% | 397.3 MiB/s | 813.7 KiB |  00m00s
[ 38/155] Installing libeconf-0:0.6.2-3 100% |   0.0   B/s |  59.7 KiB |  00m00s
[ 39/155] Installing gdbm-libs-1:1.23-7 100% | 120.7 MiB/s | 123.6 KiB |  00m00s
[ 40/155] Installing mpfr-0:4.2.1-5.fc4 100% | 407.1 MiB/s | 833.7 KiB |  00m00s
[ 41/155] Installing gawk-0:5.3.0-4.fc4 100% | 346.4 MiB/s |   1.7 MiB |  00m00s
[ 42/155] Installing dwz-0:0.15-7.fc41. 100% | 285.5 MiB/s | 292.3 KiB |  00m00s
[ 43/155] Installing unzip-0:6.0-64.fc4 100% | 381.1 MiB/s | 390.3 KiB |  00m00s
[ 44/155] Installing file-libs-0:5.45-7 100% | 709.6 MiB/s |   9.9 MiB |  00m00s
[ 45/155] Installing file-0:5.45-7.fc41 100% |  17.1 MiB/s | 105.0 KiB |  00m00s
>>> Running pre-install scriptlet: crypto-policies-0:20240826-1.gite824389.fc41.
>>> Stop pre-install scriptlet: crypto-policies-0:20240826-1.gite824389.fc41.noa
[ 46/155] Installing crypto-policies-0: 100% |  39.8 MiB/s | 163.2 KiB |  00m00s
>>> Running post-install scriptlet: crypto-policies-0:20240826-1.gite824389.fc41
>>> Stop post-install scriptlet: crypto-policies-0:20240826-1.gite824389.fc41.no
[ 47/155] Installing pcre2-0:10.44-1.fc 100% | 319.8 MiB/s | 654.9 KiB |  00m00s
[ 48/155] Installing grep-0:3.11-9.fc41 100% | 250.8 MiB/s |   1.0 MiB |  00m00s
[ 49/155] Installing xz-1:5.6.2-2.fc41. 100% | 301.2 MiB/s |   1.2 MiB |  00m00s
[ 50/155] Installing libcap-ng-0:0.8.5- 100% |   0.0   B/s |  71.0 KiB |  00m00s
[ 51/155] Installing audit-libs-0:4.0.2 100% | 325.6 MiB/s | 333.4 KiB |  00m00s
[ 52/155] Installing pam-libs-0:1.6.1-5 100% | 138.1 MiB/s | 141.4 KiB |  00m00s
[ 53/155] Installing libcap-0:2.70-4.fc 100% | 220.0 MiB/s | 225.2 KiB |  00m00s
[ 54/155] Installing systemd-libs-0:256 100% | 405.9 MiB/s |   2.0 MiB |  00m00s
[ 55/155] Installing libsmartcols-0:2.4 100% | 177.1 MiB/s | 181.4 KiB |  00m00s
[ 56/155] Installing libsepol-0:3.7-2.f 100% | 399.8 MiB/s | 818.8 KiB |  00m00s
[ 57/155] Installing libselinux-0:3.7-5 100% | 178.0 MiB/s | 182.3 KiB |  00m00s
[ 58/155] Installing sed-0:4.9-3.fc41.x 100% | 283.1 MiB/s | 869.7 KiB |  00m00s
[ 59/155] Installing findutils-1:4.10.0 100% | 371.6 MiB/s |   1.9 MiB |  00m00s
[ 60/155] Installing libmount-0:2.40.2- 100% | 344.7 MiB/s | 352.9 KiB |  00m00s
[ 61/155] Installing lz4-libs-0:1.10.0- 100% | 143.1 MiB/s | 146.6 KiB |  00m00s
[ 62/155] Installing lua-libs-0:5.4.6-6 100% | 279.5 MiB/s | 286.2 KiB |  00m00s
[ 63/155] Installing libcom_err-0:1.47. 100% |   0.0   B/s |  68.3 KiB |  00m00s
[ 64/155] Installing alternatives-0:1.3 100% |   0.0   B/s |  67.9 KiB |  00m00s
[ 65/155] Installing libtasn1-0:4.19.0- 100% | 173.3 MiB/s | 177.5 KiB |  00m00s
[ 66/155] Installing libunistring-0:1.1 100% | 432.7 MiB/s |   1.7 MiB |  00m00s
[ 67/155] Installing libidn2-0:2.3.7-2. 100% | 163.6 MiB/s | 335.1 KiB |  00m00s
[ 68/155] Installing libpsl-0:0.21.5-4. 100% |   0.0   B/s |  81.7 KiB |  00m00s
[ 69/155] Installing zstd-0:1.5.6-2.fc4 100% | 422.9 MiB/s |   1.7 MiB |  00m00s
[ 70/155] Installing util-linux-core-0: 100% | 297.1 MiB/s |   1.5 MiB |  00m00s
[ 71/155] Installing tar-2:1.35-4.fc41. 100% | 422.6 MiB/s |   3.0 MiB |  00m00s
[ 72/155] Installing libsemanage-0:3.7- 100% | 144.2 MiB/s | 295.2 KiB |  00m00s
[ 73/155] Installing shadow-utils-2:4.1 100% | 182.3 MiB/s |   4.2 MiB |  00m00s
>>> Running pre-install scriptlet: libutempter-0:1.2.1-15.fc41.x86_64
>>> Stop pre-install scriptlet: libutempter-0:1.2.1-15.fc41.x86_64
[ 74/155] Installing libutempter-0:1.2. 100% |  58.3 MiB/s |  59.7 KiB |  00m00s
[ 75/155] Installing zip-0:3.0-41.fc41. 100% | 345.2 MiB/s | 707.1 KiB |  00m00s
[ 76/155] Installing gdbm-1:1.23-7.fc41 100% | 227.4 MiB/s | 465.8 KiB |  00m00s
[ 77/155] Installing cyrus-sasl-lib-0:2 100% | 384.3 MiB/s |   2.3 MiB |  00m00s
[ 78/155] Installing libfdisk-0:2.40.2- 100% | 355.5 MiB/s | 364.1 KiB |  00m00s
[ 79/155] Installing libxml2-0:2.12.8-2 100% | 428.0 MiB/s |   1.7 MiB |  00m00s
[ 80/155] Installing bzip2-0:1.0.8-19.f 100% |  97.8 MiB/s | 100.2 KiB |  00m00s
[ 81/155] Installing add-determinism-0: 100% | 449.2 MiB/s |   2.2 MiB |  00m00s
[ 82/155] Installing build-reproducibil 100% |   0.0   B/s |   1.0 KiB |  00m00s
[ 83/155] Installing sqlite-libs-0:3.46 100% | 357.3 MiB/s |   1.4 MiB |  00m00s
[ 84/155] Installing ed-0:1.20.2-2.fc41 100% | 145.7 MiB/s | 149.2 KiB |  00m00s
[ 85/155] Installing patch-0:2.7.6-25.f 100% | 261.9 MiB/s | 268.2 KiB |  00m00s
[ 86/155] Installing elfutils-default-y 100% | 510.7 KiB/s |   2.0 KiB |  00m00s
>>> Running post-install scriptlet: elfutils-default-yama-scope-0:0.191-8.fc41.n
>>> Stop post-install scriptlet: elfutils-default-yama-scope-0:0.191-8.fc41.noar
[ 87/155] Installing elfutils-libs-0:0. 100% | 316.4 MiB/s | 648.0 KiB |  00m00s
[ 88/155] Installing cpio-0:2.15-2.fc41 100% | 274.9 MiB/s |   1.1 MiB |  00m00s
[ 89/155] Installing diffutils-0:3.10-8 100% | 318.1 MiB/s |   1.6 MiB |  00m00s
[ 90/155] Installing libgomp-0:14.2.1-1 100% | 512.5 MiB/s | 524.8 KiB |  00m00s
[ 91/155] Installing keyutils-libs-0:1. 100% |   0.0   B/s |  55.8 KiB |  00m00s
[ 92/155] Installing libverto-0:0.3.2-9 100% |   0.0   B/s |  31.3 KiB |  00m00s
[ 93/155] Installing jansson-0:2.13.1-1 100% |  87.6 MiB/s |  89.7 KiB |  00m00s
[ 94/155] Installing libpkgconf-0:2.3.0 100% |   0.0   B/s |  79.3 KiB |  00m00s
[ 95/155] Installing pkgconf-0:2.3.0-1. 100% |  89.0 MiB/s |  91.1 KiB |  00m00s
[ 96/155] Installing pkgconf-pkg-config 100% |   0.0   B/s |   1.8 KiB |  00m00s
[ 97/155] Installing libffi-0:3.4.6-3.f 100% |  85.7 MiB/s |  87.8 KiB |  00m00s
[ 98/155] Installing p11-kit-0:0.25.5-3 100% | 315.3 MiB/s |   2.2 MiB |  00m00s
[ 99/155] Installing p11-kit-trust-0:0. 100% |  64.0 MiB/s | 393.1 KiB |  00m00s
>>> Running post-install scriptlet: p11-kit-trust-0:0.25.5-3.fc41.x86_64
>>> Stop post-install scriptlet: p11-kit-trust-0:0.25.5-3.fc41.x86_64
[100/155] Installing xxhash-libs-0:0.8. 100% |  87.8 MiB/s |  89.9 KiB |  00m00s
[101/155] Installing libbrotli-0:1.1.0- 100% | 273.4 MiB/s | 839.9 KiB |  00m00s
[102/155] Installing libnghttp2-0:1.62. 100% | 163.2 MiB/s | 167.1 KiB |  00m00s
[103/155] Installing libtool-ltdl-0:2.4 100% |   0.0   B/s |  67.3 KiB |  00m00s
[104/155] Installing qt6-srpm-macros-0: 100% |   0.0   B/s | 732.0   B |  00m00s
[105/155] Installing qt5-srpm-macros-0: 100% |   0.0   B/s | 776.0   B |  00m00s
[106/155] Installing perl-srpm-macros-0 100% |   0.0   B/s |   1.1 KiB |  00m00s
[107/155] Installing package-notes-srpm 100% |   0.0   B/s |   2.0 KiB |  00m00s
[108/155] Installing openblas-srpm-macr 100% |   0.0   B/s | 392.0   B |  00m00s
[109/155] Installing ocaml-srpm-macros- 100% |   0.0   B/s |   2.2 KiB |  00m00s
[110/155] Installing kernel-srpm-macros 100% |   0.0   B/s |   2.3 KiB |  00m00s
[111/155] Installing gnat-srpm-macros-0 100% |   0.0   B/s |   1.3 KiB |  00m00s
[112/155] Installing ghc-srpm-macros-0: 100% |   0.0   B/s |   1.0 KiB |  00m00s
[113/155] Installing fpc-srpm-macros-0: 100% |   0.0   B/s | 420.0   B |  00m00s
[114/155] Installing ansible-srpm-macro 100% |   0.0   B/s |  36.2 KiB |  00m00s
[115/155] Installing coreutils-common-0 100% | 447.6 MiB/s |  11.2 MiB |  00m00s
[116/155] Installing openssl-libs-1:3.2 100% | 460.3 MiB/s |   7.8 MiB |  00m00s
[117/155] Installing coreutils-0:9.5-9. 100% | 314.5 MiB/s |   5.7 MiB |  00m00s
>>> Running pre-install scriptlet: ca-certificates-0:2024.2.68_v8.0.302-3.fc41.n
>>> Stop pre-install scriptlet: ca-certificates-0:2024.2.68_v8.0.302-3.fc41.noar
[118/155] Installing ca-certificates-0: 100% |   4.3 MiB/s |   2.4 MiB |  00m01s
>>> Running post-install scriptlet: ca-certificates-0:2024.2.68_v8.0.302-3.fc41.
>>> Stop post-install scriptlet: ca-certificates-0:2024.2.68_v8.0.302-3.fc41.noa
[119/155] Installing krb5-libs-0:1.21.3 100% | 328.5 MiB/s |   2.3 MiB |  00m00s
[120/155] Installing libarchive-0:3.7.4 100% | 301.0 MiB/s | 924.6 KiB |  00m00s
[121/155] Installing libtirpc-0:1.3.5-0 100% | 199.7 MiB/s | 204.5 KiB |  00m00s
[122/155] Installing gzip-0:1.13-2.fc41 100% | 192.7 MiB/s | 394.6 KiB |  00m00s
[123/155] Installing authselect-libs-0: 100% | 203.4 MiB/s | 833.2 KiB |  00m00s
[124/155] Installing cracklib-0:2.9.11- 100% |  81.5 MiB/s | 250.3 KiB |  00m00s
[125/155] Installing libpwquality-0:1.4 100% | 140.0 MiB/s | 430.1 KiB |  00m00s
[126/155] Installing libnsl2-0:2.0.1-2. 100% |  57.7 MiB/s |  59.1 KiB |  00m00s
[127/155] Installing pam-0:1.6.1-5.fc41 100% | 187.7 MiB/s |   1.9 MiB |  00m00s
[128/155] Installing libssh-0:0.10.6-8. 100% | 251.7 MiB/s | 515.4 KiB |  00m00s
[129/155] Installing rpm-sequoia-0:1.7. 100% | 394.5 MiB/s |   2.4 MiB |  00m00s
[130/155] Installing rpm-libs-0:4.19.92 100% | 353.2 MiB/s | 723.4 KiB |  00m00s
[131/155] Installing rpm-build-libs-0:4 100% | 202.6 MiB/s | 207.5 KiB |  00m00s
[132/155] Installing libevent-0:2.1.12- 100% | 439.2 MiB/s | 899.5 KiB |  00m00s
[133/155] Installing openldap-0:2.6.8-5 100% | 316.4 MiB/s | 648.0 KiB |  00m00s
[134/155] Installing libcurl-0:8.9.1-2. 100% | 400.0 MiB/s | 819.2 KiB |  00m00s
[135/155] Installing elfutils-debuginfo 100% |  65.3 MiB/s |  66.9 KiB |  00m00s
[136/155] Installing elfutils-0:0.191-8 100% | 426.7 MiB/s |   2.6 MiB |  00m00s
[137/155] Installing binutils-0:2.43-3. 100% | 430.6 MiB/s |  27.6 MiB |  00m00s
>>> Running post-install scriptlet: binutils-0:2.43-3.fc41.x86_64
>>> Stop post-install scriptlet: binutils-0:2.43-3.fc41.x86_64
[138/155] Installing gdb-minimal-0:15.1 100% | 433.0 MiB/s |  13.0 MiB |  00m00s
[139/155] Installing debugedit-0:5.0-17 100% | 197.3 MiB/s | 202.0 KiB |  00m00s
[140/155] Installing curl-0:8.9.1-2.fc4 100% |  86.7 MiB/s | 798.6 KiB |  00m00s
>>> Running pre-install scriptlet: rpm-0:4.19.92-6.fc41.x86_64
>>> Stop pre-install scriptlet: rpm-0:4.19.92-6.fc41.x86_64
[141/155] Installing rpm-0:4.19.92-6.fc 100% | 192.2 MiB/s |   2.5 MiB |  00m00s
[142/155] Installing efi-srpm-macros-0: 100% |   0.0   B/s |  41.2 KiB |  00m00s
[143/155] Installing lua-srpm-macros-0: 100% |   0.0   B/s |   1.9 KiB |  00m00s
[144/155] Installing zig-srpm-macros-0: 100% |   0.0   B/s |   1.7 KiB |  00m00s
[145/155] Installing python-srpm-macros 100% |  50.9 MiB/s |  52.2 KiB |  00m00s
[146/155] Installing fonts-srpm-macros- 100% |   0.0   B/s |  57.0 KiB |  00m00s
[147/155] Installing go-srpm-macros-0:3 100% |   0.0   B/s |  62.0 KiB |  00m00s
[148/155] Installing forge-srpm-macros- 100% |   0.0   B/s |  40.4 KiB |  00m00s
[149/155] Installing redhat-rpm-config- 100% |  92.8 MiB/s | 190.1 KiB |  00m00s
[150/155] Installing rpm-build-0:4.19.9 100% | 198.0 MiB/s | 202.8 KiB |  00m00s
[151/155] Installing pyproject-srpm-mac 100% |   2.4 MiB/s |   2.5 KiB |  00m00s
[152/155] Installing util-linux-0:2.40. 100% | 197.3 MiB/s |   3.7 MiB |  00m00s
>>> Running post-install scriptlet: util-linux-0:2.40.2-4.fc41.x86_64
>>> Stop post-install scriptlet: util-linux-0:2.40.2-4.fc41.x86_64
[153/155] Installing authselect-0:1.5.0 100% |  77.1 MiB/s | 157.9 KiB |  00m00s
[154/155] Installing which-0:2.21-42.fc 100% |  80.5 MiB/s |  82.4 KiB |  00m00s
warning: posix.fork(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
warning: posix.wait(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
warning: posix.exec(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
[155/155] Installing info-0:7.1-3.fc41. 100% | 488.8 KiB/s | 362.2 KiB |  00m01s
>>> Running post-transaction scriptlet: filesystem-0:3.18-23.fc41.x86_64
>>> Stop post-transaction scriptlet: filesystem-0:3.18-23.fc41.x86_64
>>> Running post-transaction scriptlet: ca-certificates-0:2024.2.68_v8.0.302-3.f
>>> Stop post-transaction scriptlet: ca-certificates-0:2024.2.68_v8.0.302-3.fc41
>>> Running post-transaction scriptlet: authselect-libs-0:1.5.0-7.fc41.x86_64
>>> Stop post-transaction scriptlet: authselect-libs-0:1.5.0-7.fc41.x86_64
>>> Running post-transaction scriptlet: rpm-0:4.19.92-6.fc41.x86_64
>>> Stop post-transaction scriptlet: rpm-0:4.19.92-6.fc41.x86_64
>>> Running trigger-install scriptlet: glibc-common-0:2.40-3.fc41.x86_64
>>> Stop trigger-install scriptlet: glibc-common-0:2.40-3.fc41.x86_64
>>> Running trigger-install scriptlet: info-0:7.1-3.fc41.x86_64
>>> Stop trigger-install scriptlet: info-0:7.1-3.fc41.x86_64
Complete!
Warning: skipped PGP checks for 4 packages from repository: copr_base
Finish: installing minimal buildroot with dnf5
Start: creating root cache
Finish: creating root cache
Finish: chroot init
INFO: Installed packages:
INFO: add-determinism-0.3.6-1.fc41.x86_64
alternatives-1.30-1.fc41.x86_64
ansible-srpm-macros-1-16.fc41.noarch
audit-libs-4.0.2-1.fc41.x86_64
authselect-1.5.0-7.fc41.x86_64
authselect-libs-1.5.0-7.fc41.x86_64
basesystem-11-21.fc41.noarch
bash-5.2.32-1.fc41.x86_64
binutils-2.43-3.fc41.x86_64
build-reproducibility-srpm-macros-0.3.6-1.fc41.noarch
bzip2-1.0.8-19.fc41.x86_64
bzip2-libs-1.0.8-19.fc41.x86_64
ca-certificates-2024.2.68_v8.0.302-3.fc41.noarch
coreutils-9.5-9.fc41.x86_64
coreutils-common-9.5-9.fc41.x86_64
cpio-2.15-2.fc41.x86_64
cracklib-2.9.11-6.fc41.x86_64
crypto-policies-20240826-1.gite824389.fc41.noarch
curl-8.9.1-2.fc41.x86_64
cyrus-sasl-lib-2.1.28-27.fc41.x86_64
debugedit-5.0-17.fc41.x86_64
diffutils-3.10-8.fc41.x86_64
dwz-0.15-7.fc41.x86_64
ed-1.20.2-2.fc41.x86_64
efi-srpm-macros-5-12.fc41.noarch
elfutils-0.191-8.fc41.x86_64
elfutils-debuginfod-client-0.191-8.fc41.x86_64
elfutils-default-yama-scope-0.191-8.fc41.noarch
elfutils-libelf-0.191-8.fc41.x86_64
elfutils-libs-0.191-8.fc41.x86_64
fedora-gpg-keys-41-0.4.noarch
fedora-release-41-0.21.noarch
fedora-release-common-41-0.21.noarch
fedora-release-identity-basic-41-0.21.noarch
fedora-repos-41-0.4.noarch
file-5.45-7.fc41.x86_64
file-libs-5.45-7.fc41.x86_64
filesystem-3.18-23.fc41.x86_64
findutils-4.10.0-4.fc41.x86_64
fonts-srpm-macros-2.0.5-17.fc41.noarch
forge-srpm-macros-0.3.2-1.fc41.noarch
fpc-srpm-macros-1.3-13.fc41.noarch
gawk-5.3.0-4.fc41.x86_64
gdb-minimal-15.1-1.fc41.x86_64
gdbm-1.23-7.fc41.x86_64
gdbm-libs-1.23-7.fc41.x86_64
ghc-srpm-macros-1.9.1-2.fc41.noarch
glibc-2.40-3.fc41.x86_64
glibc-common-2.40-3.fc41.x86_64
glibc-gconv-extra-2.40-3.fc41.x86_64
glibc-minimal-langpack-2.40-3.fc41.x86_64
gmp-6.3.0-2.fc41.x86_64
gnat-srpm-macros-6-6.fc41.noarch
go-srpm-macros-3.6.0-3.fc41.noarch
gpg-pubkey-e99d6ad1-64d2612c
grep-3.11-9.fc41.x86_64
gzip-1.13-2.fc41.x86_64
info-7.1-3.fc41.x86_64
jansson-2.13.1-10.fc41.x86_64
kernel-srpm-macros-1.0-24.fc41.noarch
keyutils-libs-1.6.3-4.fc41.x86_64
krb5-libs-1.21.3-2.fc41.x86_64
libacl-2.3.2-2.fc41.x86_64
libarchive-3.7.4-3.fc41.x86_64
libattr-2.5.2-4.fc41.x86_64
libblkid-2.40.2-4.fc41.x86_64
libbrotli-1.1.0-5.fc41.x86_64
libcap-2.70-4.fc41.x86_64
libcap-ng-0.8.5-3.fc41.x86_64
libcom_err-1.47.1-3.fc41.x86_64
libcurl-8.9.1-2.fc41.x86_64
libeconf-0.6.2-3.fc41.x86_64
libevent-2.1.12-14.fc41.x86_64
libfdisk-2.40.2-4.fc41.x86_64
libffi-3.4.6-3.fc41.x86_64
libgcc-14.2.1-1.fc41.x86_64
libgomp-14.2.1-1.fc41.x86_64
libidn2-2.3.7-2.fc41.x86_64
libmount-2.40.2-4.fc41.x86_64
libnghttp2-1.62.1-2.fc41.x86_64
libnsl2-2.0.1-2.fc41.x86_64
libpkgconf-2.3.0-1.fc41.x86_64
libpsl-0.21.5-4.fc41.x86_64
libpwquality-1.4.5-11.fc41.x86_64
libselinux-3.7-5.fc41.x86_64
libsemanage-3.7-2.fc41.x86_64
libsepol-3.7-2.fc41.x86_64
libsmartcols-2.40.2-4.fc41.x86_64
libssh-0.10.6-8.fc41.x86_64
libssh-config-0.10.6-8.fc41.noarch
libstdc++-14.2.1-1.fc41.x86_64
libtasn1-4.19.0-9.fc41.x86_64
libtirpc-1.3.5-0.fc41.x86_64
libtool-ltdl-2.4.7-12.fc41.x86_64
libunistring-1.1-8.fc41.x86_64
libutempter-1.2.1-15.fc41.x86_64
libuuid-2.40.2-4.fc41.x86_64
libverto-0.3.2-9.fc41.x86_64
libxcrypt-4.4.36-7.fc41.x86_64
libxml2-2.12.8-2.fc41.x86_64
libzstd-1.5.6-2.fc41.x86_64
lua-libs-5.4.6-6.fc41.x86_64
lua-srpm-macros-1-14.fc41.noarch
lz4-libs-1.10.0-1.fc41.x86_64
mpfr-4.2.1-5.fc41.x86_64
ncurses-base-6.5-2.20240629.fc41.noarch
ncurses-libs-6.5-2.20240629.fc41.x86_64
ocaml-srpm-macros-10-3.fc41.noarch
openblas-srpm-macros-2-18.fc41.noarch
openldap-2.6.8-5.fc41.x86_64
openssl-libs-3.2.2-5.fc41.x86_64
p11-kit-0.25.5-3.fc41.x86_64
p11-kit-trust-0.25.5-3.fc41.x86_64
package-notes-srpm-macros-0.5-12.fc41.noarch
pam-1.6.1-5.fc41.x86_64
pam-libs-1.6.1-5.fc41.x86_64
patch-2.7.6-25.fc41.x86_64
pcre2-10.44-1.fc41.1.x86_64
pcre2-syntax-10.44-1.fc41.1.noarch
perl-srpm-macros-1-56.fc41.noarch
pkgconf-2.3.0-1.fc41.x86_64
pkgconf-m4-2.3.0-1.fc41.noarch
pkgconf-pkg-config-2.3.0-1.fc41.x86_64
popt-1.19-7.fc41.x86_64
publicsuffix-list-dafsa-20240107-4.fc41.noarch
pyproject-srpm-macros-1.14.0-1.fc41.noarch
python-srpm-macros-3.13-3.fc41.noarch
qt5-srpm-macros-5.15.14-3.fc41.noarch
qt6-srpm-macros-6.7.2-3.fc41.noarch
readline-8.2-10.fc41.x86_64
redhat-rpm-config-293-1.fc41.noarch
rpm-4.19.92-6.fc41.x86_64
rpm-build-4.19.92-6.fc41.x86_64
rpm-build-libs-4.19.92-6.fc41.x86_64
rpm-libs-4.19.92-6.fc41.x86_64
rpm-sequoia-1.7.0-2.fc41.x86_64
rust-srpm-macros-26.3-3.fc41.noarch
sed-4.9-3.fc41.x86_64
setup-2.15.0-5.fc41.noarch
shadow-utils-4.15.1-9.fc41.x86_64
sqlite-libs-3.46.1-1.fc41.x86_64
systemd-libs-256.5-6.fc41.x86_64
tar-1.35-4.fc41.x86_64
unzip-6.0-64.fc41.x86_64
util-linux-2.40.2-4.fc41.x86_64
util-linux-core-2.40.2-4.fc41.x86_64
which-2.21-42.fc41.x86_64
xxhash-libs-0.8.2-3.fc41.x86_64
xz-5.6.2-2.fc41.x86_64
xz-libs-5.6.2-2.fc41.x86_64
zig-srpm-macros-1-3.fc41.noarch
zip-3.0-41.fc41.x86_64
zlib-ng-compat-2.1.7-2.fc41.x86_64
zstd-1.5.6-2.fc41.x86_64
Start: buildsrpm
Start: rpmbuild -bs
Building target platforms: x86_64
Building for target x86_64
setting SOURCE_DATE_EPOCH=1725408000
Wrote: /builddir/build/SRPMS/python-ase-3.23.0-4.fc41.src.rpm
Finish: rpmbuild -bs
cp: preserving permissions for ‘/var/lib/copr-rpmbuild/results/chroot_scan/var/lib/mock/fedora-41-x86_64-1725474323.679901/root/var/log’: No such file or directory
INFO: chroot_scan: 1 files copied to /var/lib/copr-rpmbuild/results/chroot_scan
INFO: /var/lib/mock/fedora-41-x86_64-1725474323.679901/root/var/log/dnf5.log
Finish: buildsrpm
INFO: Done(/var/lib/copr-rpmbuild/workspace/workdir-fvxus_wi/python-ase/python-ase.spec) Config(child) 0 minutes 16 seconds
INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results
INFO: Cleaning up build root ('cleanup_on_success=True')
Start: clean chroot
INFO: unmounting tmpfs.
Finish: clean chroot
INFO: Start(/var/lib/copr-rpmbuild/results/python-ase-3.23.0-4.fc41.src.rpm)  Config(fedora-41-x86_64)
Start(bootstrap): chroot init
INFO: mounting tmpfs at /var/lib/mock/fedora-41-x86_64-bootstrap-1725474323.679901/root.
INFO: reusing tmpfs at /var/lib/mock/fedora-41-x86_64-bootstrap-1725474323.679901/root.
INFO: calling preinit hooks
INFO: enabled root cache
INFO: enabled package manager cache
Start(bootstrap): cleaning package manager metadata
Finish(bootstrap): cleaning package manager metadata
Finish(bootstrap): chroot init
Start: chroot init
INFO: mounting tmpfs at /var/lib/mock/fedora-41-x86_64-1725474323.679901/root.
INFO: calling preinit hooks
INFO: enabled root cache
Start: unpacking root cache
Finish: unpacking root cache
INFO: enabled package manager cache
Start: cleaning package manager metadata
Finish: cleaning package manager metadata
INFO: enabled HW Info plugin
INFO: Buildroot is handled by package management downloaded with a bootstrap image:
  rpm-4.19.92-6.fc41.x86_64
  rpm-sequoia-1.7.0-2.fc41.x86_64
  dnf5-5.2.5.0-2.fc41.x86_64
  dnf5-plugins-5.2.5.0-2.fc41.x86_64
Finish: chroot init
Start: build phase for python-ase-3.23.0-4.fc41.src.rpm
Start: build setup for python-ase-3.23.0-4.fc41.src.rpm
Building target platforms: x86_64
Building for target x86_64
setting SOURCE_DATE_EPOCH=1725408000
Wrote: /builddir/build/SRPMS/python-ase-3.23.0-4.fc41.src.rpm
Updating and loading repositories:
 updates                                100% | 105.2 KiB/s |  28.3 KiB |  00m00s
 fedora                                 100% |  95.0 KiB/s |  25.6 KiB |  00m00s
 Copr repository                        100% |  90.2 KiB/s |   1.5 KiB |  00m00s
Repositories loaded.
Package                        Arch   Version           Repository      Size
Installing:
 desktop-file-utils            x86_64 0.27-2.fc41       fedora     230.4 KiB
 gettext                       x86_64 0.22.5-6.fc41     fedora       5.2 MiB
 python3-devel                 x86_64 3.13.0~rc1-2.fc41 fedora       1.8 MiB
 python3-matplotlib            x86_64 3.9.1-2.fc41      fedora      21.1 MiB
 python3-numpy                 x86_64 1:1.26.4-8.fc41   fedora      43.8 MiB
 python3-pytest                noarch 8.3.1-1.fc41      fedora      20.9 MiB
 python3-pytest-mock           noarch 3.14.0-2.fc41     fedora     117.0 KiB
 python3-scipy                 x86_64 1.11.3-15.fc41    fedora      62.5 MiB
 python3-setuptools            noarch 69.2.0-8.fc41     fedora       7.2 MiB
 python3-tkinter               x86_64 3.13.0~rc1-2.fc41 fedora       2.0 MiB
Installing dependencies:
 abattis-cantarell-vf-fonts    noarch 0.301-13.fc41     fedora     192.7 KiB
 cairo                         x86_64 1.18.0-4.fc41     fedora       1.7 MiB
 default-fonts-core-sans       noarch 4.1-2.fc41        fedora      11.9 KiB
 dejavu-sans-fonts             noarch 2.37-24.fc41      fedora       5.5 MiB
 emacs-filesystem              noarch 1:30.0-3.fc41     fedora       0.0   B
 expat                         x86_64 2.6.2-2.fc41      fedora     284.8 KiB
 flexiblas                     x86_64 3.4.4-3.fc41      fedora      48.5 KiB
 flexiblas-netlib              x86_64 3.4.4-3.fc41      fedora      10.7 MiB
 flexiblas-openblas-openmp     x86_64 3.4.4-3.fc41      fedora      43.3 KiB
 fontconfig                    x86_64 2.15.0-8.fc41     fedora     791.9 KiB
 fonts-filesystem              noarch 1:2.0.5-17.fc41   fedora       0.0   B
 freetype                      x86_64 2.13.2-6.fc41     fedora     850.6 KiB
 fribidi                       x86_64 1.0.15-2.fc41     fedora     368.4 KiB
 gettext-envsubst              x86_64 0.22.5-6.fc41     fedora      74.9 KiB
 gettext-libs                  x86_64 0.22.5-6.fc41     fedora       1.7 MiB
 gettext-runtime               x86_64 0.22.5-6.fc41     fedora     481.3 KiB
 glib2                         x86_64 2.82.0-1.fc41     fedora      14.7 MiB
 gnutls                        x86_64 3.8.6-7.fc41      fedora       3.2 MiB
 google-noto-fonts-common      noarch 20240701-2.fc41   fedora      17.5 KiB
 google-noto-sans-vf-fonts     noarch 20240701-2.fc41   fedora       1.2 MiB
 graphite2                     x86_64 1.3.14-16.fc41    fedora     192.0 KiB
 harfbuzz                      x86_64 9.0.0-3.fc41      fedora       2.6 MiB
 jbigkit-libs                  x86_64 2.1-30.fc41       fedora     117.6 KiB
 lcms2                         x86_64 2.16-4.fc41       fedora     424.9 KiB
 libX11                        x86_64 1.8.10-2.fc41     fedora       1.3 MiB
 libX11-common                 noarch 1.8.10-2.fc41     fedora       1.1 MiB
 libXau                        x86_64 1.0.11-7.fc41     fedora      66.9 KiB
 libXext                       x86_64 1.3.6-2.fc41      fedora      90.1 KiB
 libXft                        x86_64 2.3.8-7.fc41      fedora     164.5 KiB
 libXrender                    x86_64 0.9.11-7.fc41     fedora      50.1 KiB
 libb2                         x86_64 0.98.1-12.fc41    fedora      42.2 KiB
 libgfortran                   x86_64 14.2.1-1.fc41     fedora       3.0 MiB
 libimagequant                 x86_64 4.0.3-5.fc41      fedora     666.7 KiB
 libjpeg-turbo                 x86_64 3.0.2-3.fc41      fedora     776.9 KiB
 liblerc                       x86_64 4.0.0-7.fc41      fedora     607.5 KiB
 libpng                        x86_64 2:1.6.40-4.fc41   fedora     245.8 KiB
 libqhull_r                    x86_64 1:8.0.2-5.fc41    fedora     483.4 KiB
 libquadmath                   x86_64 14.2.1-1.fc41     fedora     325.9 KiB
 libraqm                       x86_64 0.8.0-8.fc41      fedora      28.6 KiB
 libtextstyle                  x86_64 0.22.5-6.fc41     fedora     195.6 KiB
 libtiff                       x86_64 4.6.0-6.fc41      fedora     606.0 KiB
 libwebp                       x86_64 1.4.0-4.fc41      fedora     822.6 KiB
 libxcb                        x86_64 1.17.0-2.fc41     fedora       1.1 MiB
 libxslt                       x86_64 1.1.42-2.fc41     fedora     483.1 KiB
 mpdecimal                     x86_64 2.5.1-16.fc41     fedora     204.9 KiB
 nettle                        x86_64 3.10-3.fc41       fedora     793.0 KiB
 openblas                      x86_64 0.3.26-5.fc41     fedora      96.0 KiB
 openblas-openmp               x86_64 0.3.26-5.fc41     fedora      39.4 MiB
 openjpeg                      x86_64 2.5.2-3.fc41      fedora     445.7 KiB
 pixman                        x86_64 0.43.4-2.fc41     fedora     718.1 KiB
 pyproject-rpm-macros          noarch 1.14.0-1.fc41     copr_base  105.7 KiB
 python-pip-wheel              noarch 24.2-1.fc41       copr_base    1.2 MiB
 python-rpm-macros             noarch 3.13-3.fc41       fedora      22.1 KiB
 python3                       x86_64 3.13.0~rc1-2.fc41 fedora      31.8 KiB
 python3-appdirs               noarch 1.4.4-23.fc41     fedora      68.7 KiB
 python3-brotli                x86_64 1.1.0-5.fc41      fedora     836.0 KiB
 python3-cairo                 x86_64 1.25.1-5.fc41     fedora     492.5 KiB
 python3-charset-normalizer    noarch 3.3.2-6.fc41      copr_base  314.8 KiB
 python3-contourpy             x86_64 1.3.0-1.fc41      copr_base  808.6 KiB
 python3-cycler                noarch 0.11.0-13.fc41    fedora      37.6 KiB
 python3-dateutil              noarch 1:2.8.2-16.fc41   fedora     879.2 KiB
 python3-fonttools             x86_64 4.53.1-2.fc41     copr_base   18.2 MiB
 python3-fs                    noarch 2.4.16-9.fc41     fedora       1.3 MiB
 python3-idna                  noarch 3.8-1.fc41        copr_base  596.4 KiB
 python3-iniconfig             noarch 1.1.1-24.fc41     copr_base   20.6 KiB
 python3-kiwisolver            x86_64 1.4.6-1.fc41      copr_base  153.9 KiB
 python3-libs                  x86_64 3.13.0~rc1-2.fc41 fedora      40.3 MiB
 python3-lxml                  x86_64 5.2.1-6.fc41      fedora       4.9 MiB
 python3-matplotlib-data       noarch 3.9.1-2.fc41      fedora     741.5 KiB
 python3-matplotlib-data-fonts noarch 3.9.1-2.fc41      fedora       7.9 MiB
 python3-matplotlib-tk         x86_64 3.9.1-2.fc41      fedora     262.7 KiB
 python3-numpy-f2py            x86_64 1:1.26.4-8.fc41   fedora       2.8 MiB
 python3-olefile               noarch 0.47-5.fc41       fedora     340.4 KiB
 python3-packaging             noarch 24.1-2.fc41       fedora     422.3 KiB
 python3-pillow                x86_64 10.4.0-2.fc41     fedora       3.7 MiB
 python3-pillow-tk             x86_64 10.4.0-2.fc41     fedora      68.4 KiB
 python3-platformdirs          noarch 4.2.2-2.fc41      fedora     168.6 KiB
 python3-pluggy                noarch 1.5.0-1.fc41      fedora     193.2 KiB
 python3-pooch                 noarch 1.8.2-3.fc41      fedora     625.5 KiB
 python3-pyparsing             noarch 3.1.2-7.fc41      fedora       1.0 MiB
 python3-requests              noarch 2.32.3-3.fc41     fedora     485.9 KiB
 python3-rpm-generators        noarch 14-11.fc41        fedora      81.7 KiB
 python3-rpm-macros            noarch 3.13-3.fc41       fedora       6.4 KiB
 python3-six                   noarch 1.16.0-24.fc41    copr_base  118.3 KiB
 python3-urllib3               noarch 1.26.19-2.fc41    fedora       1.0 MiB
 tcl                           x86_64 1:8.6.14-2.fc41   fedora       4.2 MiB
 tk                            x86_64 1:8.6.14-2.fc41   fedora       3.6 MiB
 tzdata                        noarch 2024a-9.fc41      fedora       1.7 MiB
 xml-common                    noarch 0.6.3-65.fc41     fedora      78.4 KiB

Transaction Summary:
 Installing:       99 packages

Total size of inbound packages is 83 MiB. Need to download 83 MiB.
After this operation 363 MiB will be used (install 363 MiB, remove 0 B).
[ 1/99] desktop-file-utils-0:0.27-2.fc4 100% |   6.7 MiB/s |  68.9 KiB |  00m00s
[ 2/99] python3-devel-0:3.13.0~rc1-2.fc 100% |  98.1 MiB/s | 401.9 KiB |  00m00s
[ 3/99] gettext-0:0.22.5-6.fc41.x86_64  100% |  63.6 MiB/s |   1.1 MiB |  00m00s
[ 4/99] python3-matplotlib-0:3.9.1-2.fc 100% | 193.7 MiB/s |   4.6 MiB |  00m00s
[ 5/99] python3-pytest-mock-0:3.14.0-2. 100% |   5.8 MiB/s |  41.7 KiB |  00m00s
[ 6/99] python3-scipy-0:1.11.3-15.fc41. 100% | 255.7 MiB/s |  16.1 MiB |  00m00s
[ 7/99] python3-setuptools-0:69.2.0-8.f 100% |  71.1 MiB/s |   1.6 MiB |  00m00s
[ 8/99] python3-tkinter-0:3.13.0~rc1-2. 100% |  52.8 MiB/s | 378.6 KiB |  00m00s
[ 9/99] emacs-filesystem-1:30.0-3.fc41. 100% |   7.0 MiB/s |   7.1 KiB |  00m00s
[10/99] gettext-libs-0:0.22.5-6.fc41.x8 100% | 162.7 MiB/s | 666.4 KiB |  00m00s
[11/99] gettext-runtime-0:0.22.5-6.fc41 100% |  39.7 MiB/s | 121.8 KiB |  00m00s
[12/99] glib2-0:2.82.0-1.fc41.x86_64    100% | 234.5 MiB/s |   3.0 MiB |  00m00s
[13/99] libtextstyle-0:0.22.5-6.fc41.x8 100% |  21.6 MiB/s |  88.4 KiB |  00m00s
[14/99] libgfortran-0:14.2.1-1.fc41.x86 100% | 152.7 MiB/s | 938.2 KiB |  00m00s
[15/99] flexiblas-netlib-0:3.4.4-3.fc41 100% | 214.5 MiB/s |   3.2 MiB |  00m00s
[16/99] python3-numpy-f2py-1:1.26.4-8.f 100% |  59.3 MiB/s | 546.3 KiB |  00m00s
[17/99] python3-pooch-0:1.8.2-3.fc41.no 100% |  27.1 MiB/s | 138.6 KiB |  00m00s
[18/99] dejavu-sans-fonts-0:2.37-24.fc4 100% |  63.1 MiB/s |   1.3 MiB |  00m00s
[19/99] python3-libs-0:3.13.0~rc1-2.fc4 100% | 233.2 MiB/s |   9.1 MiB |  00m00s
[20/99] freetype-0:2.13.2-6.fc41.x86_64 100% |  28.7 MiB/s | 410.7 KiB |  00m00s
[21/99] python3-numpy-1:1.26.4-8.fc41.x 100% |  58.6 MiB/s |   7.6 MiB |  00m00s
[22/99] libqhull_r-1:8.0.2-5.fc41.x86_6 100% |  24.6 MiB/s | 201.8 KiB |  00m00s
[23/99] python3-cycler-0:0.11.0-13.fc41 100% |   3.0 MiB/s |  21.3 KiB |  00m00s
[24/99] python3-dateutil-1:2.8.2-16.fc4 100% | 117.1 MiB/s | 359.7 KiB |  00m00s
[25/99] python3-matplotlib-data-0:3.9.1 100% | 128.1 MiB/s | 524.7 KiB |  00m00s
[26/99] python3-packaging-0:24.1-2.fc41 100% | 122.5 MiB/s | 125.5 KiB |  00m00s
[27/99] python3-matplotlib-tk-0:3.9.1-2 100% |  21.8 MiB/s | 111.6 KiB |  00m00s
[28/99] tcl-1:8.6.14-2.fc41.x86_64      100% | 157.5 MiB/s |   1.1 MiB |  00m00s
[29/99] python3-pyparsing-0:3.1.2-7.fc4 100% |  30.1 MiB/s | 277.4 KiB |  00m00s
[30/99] tk-1:8.6.14-2.fc41.x86_64       100% | 202.2 MiB/s |   1.6 MiB |  00m00s
[31/99] gettext-envsubst-0:0.22.5-6.fc4 100% |  18.4 MiB/s |  37.8 KiB |  00m00s
[32/99] gnutls-0:3.8.6-7.fc41.x86_64    100% | 185.0 MiB/s |   1.1 MiB |  00m00s
[33/99] flexiblas-0:3.4.4-3.fc41.x86_64 100% |   6.2 MiB/s |  25.3 KiB |  00m00s
[34/99] flexiblas-openblas-openmp-0:3.4 100% |   4.2 MiB/s |  17.2 KiB |  00m00s
[35/99] libquadmath-0:14.2.1-1.fc41.x86 100% |  65.6 MiB/s | 201.5 KiB |  00m00s
[36/99] python3-requests-0:2.32.3-3.fc4 100% |  51.9 MiB/s | 159.4 KiB |  00m00s
[37/99] expat-0:2.6.2-2.fc41.x86_64     100% | 110.8 MiB/s | 113.4 KiB |  00m00s
[38/99] python3-platformdirs-0:4.2.2-2. 100% |   9.1 MiB/s |  46.3 KiB |  00m00s
[39/99] libb2-0:0.98.1-12.fc41.x86_64   100% |  25.1 MiB/s |  25.7 KiB |  00m00s
[40/99] mpdecimal-0:2.5.1-16.fc41.x86_6 100% |  86.9 MiB/s |  89.0 KiB |  00m00s
[41/99] tzdata-0:2024a-9.fc41.noarch    100% | 232.7 MiB/s | 714.7 KiB |  00m00s
[42/99] fonts-filesystem-1:2.0.5-17.fc4 100% |   2.8 MiB/s |   8.5 KiB |  00m00s
[43/99] libpng-2:1.6.40-4.fc41.x86_64   100% | 117.5 MiB/s | 120.3 KiB |  00m00s
[44/99] python3-pillow-tk-0:10.4.0-2.fc 100% |   9.9 MiB/s |  30.3 KiB |  00m00s
[45/99] harfbuzz-0:9.0.0-3.fc41.x86_64  100% | 125.8 MiB/s |   1.0 MiB |  00m00s
[46/99] fontconfig-0:2.15.0-8.fc41.x86_ 100% |  87.8 MiB/s | 269.9 KiB |  00m00s
[47/99] python3-matplotlib-data-fonts-0 100% | 212.8 MiB/s |   2.3 MiB |  00m00s
[48/99] libX11-0:1.8.10-2.fc41.x86_64   100% | 126.9 MiB/s | 649.9 KiB |  00m00s
[49/99] libXft-0:2.3.8-7.fc41.x86_64    100% |  23.5 MiB/s |  72.3 KiB |  00m00s
[50/99] nettle-0:3.10-3.fc41.x86_64     100% | 139.5 MiB/s | 428.5 KiB |  00m00s
[51/99] python3-urllib3-0:1.26.19-2.fc4 100% |  90.9 MiB/s | 279.1 KiB |  00m00s
[52/99] python3-pillow-0:10.4.0-2.fc41. 100% | 192.8 MiB/s | 987.3 KiB |  00m00s
[53/99] graphite2-0:1.3.14-16.fc41.x86_ 100% |  13.3 MiB/s |  95.1 KiB |  00m00s
[54/99] default-fonts-core-sans-0:4.1-2 100% |  10.1 MiB/s |  31.1 KiB |  00m00s
[55/99] xml-common-0:0.6.3-65.fc41.noar 100% |   7.6 MiB/s |  31.2 KiB |  00m00s
[56/99] openblas-openmp-0:0.3.26-5.fc41 100% | 253.2 MiB/s |   5.1 MiB |  00m00s
[57/99] libX11-common-0:1.8.10-2.fc41.n 100% |  28.6 MiB/s | 175.8 KiB |  00m00s
[58/99] libxcb-0:1.17.0-2.fc41.x86_64   100% |  38.9 MiB/s | 239.0 KiB |  00m00s
[59/99] libXrender-0:0.9.11-7.fc41.x86_ 100% |  13.4 MiB/s |  27.5 KiB |  00m00s
[60/99] lcms2-0:2.16-4.fc41.x86_64      100% |  58.7 MiB/s | 180.3 KiB |  00m00s
[61/99] libimagequant-0:4.0.3-5.fc41.x8 100% |  98.0 MiB/s | 301.2 KiB |  00m00s
[62/99] libjpeg-turbo-0:3.0.2-3.fc41.x8 100% | 111.0 MiB/s | 227.3 KiB |  00m00s
[63/99] libraqm-0:0.8.0-8.fc41.x86_64   100% |   9.7 MiB/s |  19.9 KiB |  00m00s
[64/99] libtiff-0:4.6.0-6.fc41.x86_64   100% |  69.0 MiB/s | 212.0 KiB |  00m00s
[65/99] libwebp-0:1.4.0-4.fc41.x86_64   100% |  95.0 MiB/s | 292.0 KiB |  00m00s
[66/99] python3-olefile-0:0.47-5.fc41.n 100% |  36.4 MiB/s |  74.6 KiB |  00m00s
[67/99] openjpeg-0:2.5.2-3.fc41.x86_64  100% |  45.6 MiB/s | 186.8 KiB |  00m00s
[68/99] abattis-cantarell-vf-fonts-0:0. 100% |  39.1 MiB/s | 120.2 KiB |  00m00s
[69/99] libXau-0:1.0.11-7.fc41.x86_64   100% |  10.4 MiB/s |  31.9 KiB |  00m00s
[70/99] fribidi-0:1.0.15-2.fc41.x86_64  100% |  30.0 MiB/s |  92.2 KiB |  00m00s
[71/99] google-noto-sans-vf-fonts-0:202 100% | 116.0 MiB/s | 594.1 KiB |  00m00s
[72/99] jbigkit-libs-0:2.1-30.fc41.x86_ 100% |  26.0 MiB/s |  53.3 KiB |  00m00s
[73/99] liblerc-0:4.0.0-7.fc41.x86_64   100% | 102.7 MiB/s | 210.3 KiB |  00m00s
[74/99] python3-pytest-0:8.3.1-1.fc41.n 100% | 356.4 MiB/s |   2.1 MiB |  00m00s
[75/99] google-noto-fonts-common-0:2024 100% |   2.5 MiB/s |  18.0 KiB |  00m00s
[76/99] python3-pluggy-0:1.5.0-1.fc41.n 100% |   9.5 MiB/s |  58.6 KiB |  00m00s
[77/99] python-rpm-macros-0:3.13-3.fc41 100% |  17.3 MiB/s |  17.7 KiB |  00m00s
[78/99] python3-rpm-generators-0:14-11. 100% |  28.6 MiB/s |  29.3 KiB |  00m00s
[79/99] python3-rpm-macros-0:3.13-3.fc4 100% |  12.2 MiB/s |  12.4 KiB |  00m00s
[80/99] python3-0:3.13.0~rc1-2.fc41.x86 100% |  26.6 MiB/s |  27.2 KiB |  00m00s
[81/99] python3-iniconfig-0:1.1.1-24.fc 100% |   2.6 MiB/s |  18.6 KiB |  00m00s
[82/99] python3-idna-0:3.8-1.fc41.noarc 100% |  12.1 MiB/s | 111.1 KiB |  00m00s
[83/99] python3-charset-normalizer-0:3. 100% |  12.2 MiB/s |  99.7 KiB |  00m00s
[84/99] python3-cairo-0:1.25.1-5.fc41.x 100% |  60.8 MiB/s | 124.6 KiB |  00m00s
[85/99] libXext-0:1.3.6-2.fc41.x86_64   100% |  38.2 MiB/s |  39.1 KiB |  00m00s
[86/99] cairo-0:1.18.0-4.fc41.x86_64    100% | 173.3 MiB/s | 709.9 KiB |  00m00s
[87/99] pixman-0:0.43.4-2.fc41.x86_64   100% |  71.8 MiB/s | 294.1 KiB |  00m00s
[88/99] python3-brotli-0:1.1.0-5.fc41.x 100% |  55.5 MiB/s | 341.1 KiB |  00m00s
[89/99] python3-fs-0:2.4.16-9.fc41.noar 100% |  75.7 MiB/s | 310.0 KiB |  00m00s
[90/99] python3-lxml-0:5.2.1-6.fc41.x86 100% | 228.1 MiB/s |   1.4 MiB |  00m00s
[91/99] python3-appdirs-0:1.4.4-23.fc41 100% |  23.0 MiB/s |  23.5 KiB |  00m00s
[92/99] libxslt-0:1.1.42-2.fc41.x86_64  100% |  92.4 MiB/s | 189.1 KiB |  00m00s
[93/99] python3-kiwisolver-0:1.4.6-1.fc 100% |   1.7 MiB/s |  67.2 KiB |  00m00s
[94/99] python-pip-wheel-0:24.2-1.fc41. 100% | 150.3 MiB/s |   1.2 MiB |  00m00s
[95/99] python3-six-0:1.16.0-24.fc41.no 100% |  20.4 MiB/s |  41.8 KiB |  00m00s
[96/99] pyproject-rpm-macros-0:1.14.0-1 100% |  21.0 MiB/s |  43.1 KiB |  00m00s
[97/99] openblas-0:0.3.26-5.fc41.x86_64 100% |  37.8 MiB/s |  38.7 KiB |  00m00s
[98/99] python3-contourpy-0:1.3.0-1.fc4 100% |   2.9 MiB/s | 264.8 KiB |  00m00s
[99/99] python3-fonttools-0:4.53.1-2.fc 100% |  20.0 MiB/s |   2.9 MiB |  00m00s
--------------------------------------------------------------------------------
[99/99] Total                           100% | 124.0 MiB/s |  82.9 MiB |  00m01s
Running transaction
[  1/101] Verify package files          100% | 432.0   B/s |  99.0   B |  00m00s
[  2/101] Prepare transaction           100% |   1.6 KiB/s |  99.0   B |  00m00s
[  3/101] Installing fonts-filesystem-1 100% |   0.0   B/s | 788.0   B |  00m00s
[  4/101] Installing python-rpm-macros- 100% |   0.0   B/s |  22.8 KiB |  00m00s
[  5/101] Installing libgfortran-0:14.2 100% | 507.4 MiB/s |   3.0 MiB |  00m00s
[  6/101] Installing python3-rpm-macros 100% |   0.0   B/s |   6.7 KiB |  00m00s
[  7/101] Installing python3-matplotlib 100% | 416.4 MiB/s |   7.9 MiB |  00m00s
[  8/101] Installing python3-matplotlib 100% | 247.0 MiB/s | 758.7 KiB |  00m00s
[  9/101] Installing libwebp-0:1.4.0-4. 100% | 403.7 MiB/s | 826.8 KiB |  00m00s
[ 10/101] Installing libjpeg-turbo-0:3. 100% | 380.2 MiB/s | 778.7 KiB |  00m00s
[ 11/101] Installing libpng-2:1.6.40-4. 100% |  60.3 MiB/s | 247.1 KiB |  00m00s
[ 12/101] Installing tzdata-0:2024a-9.f 100% |  74.6 MiB/s |   1.9 MiB |  00m00s
[ 13/101] Installing tcl-1:8.6.14-2.fc4 100% | 352.2 MiB/s |   4.2 MiB |  00m00s
[ 14/101] Installing libtextstyle-0:0.2 100% | 191.9 MiB/s | 196.5 KiB |  00m00s
[ 15/101] Installing gettext-libs-0:0.2 100% | 335.3 MiB/s |   1.7 MiB |  00m00s
[ 16/101] Installing pyproject-rpm-macr 100% | 105.1 MiB/s | 107.7 KiB |  00m00s
[ 17/101] Installing dejavu-sans-fonts- 100% | 500.8 MiB/s |   5.5 MiB |  00m00s
[ 18/101] Installing abattis-cantarell- 100% | 189.9 MiB/s | 194.4 KiB |  00m00s
[ 19/101] Installing openblas-0:0.3.26- 100% |   0.0   B/s |  97.8 KiB |  00m00s
[ 20/101] Installing openblas-openmp-0: 100% | 667.3 MiB/s |  39.4 MiB |  00m00s
[ 21/101] Installing python-pip-wheel-0 100% | 620.8 MiB/s |   1.2 MiB |  00m00s
[ 22/101] Installing libxslt-0:1.1.42-2 100% | 237.4 MiB/s | 486.2 KiB |  00m00s
[ 23/101] Installing pixman-0:0.43.4-2. 100% | 351.2 MiB/s | 719.2 KiB |  00m00s
[ 24/101] Installing google-noto-fonts- 100% |   0.0   B/s |  18.3 KiB |  00m00s
[ 25/101] Installing google-noto-sans-v 100% | 312.2 MiB/s |   1.2 MiB |  00m00s
[ 26/101] Installing default-fonts-core 100% |  17.8 MiB/s |  18.2 KiB |  00m00s
[ 27/101] Installing liblerc-0:4.0.0-7. 100% | 297.4 MiB/s | 609.0 KiB |  00m00s
[ 28/101] Installing jbigkit-libs-0:2.1 100% | 116.8 MiB/s | 119.6 KiB |  00m00s
[ 29/101] Installing libtiff-0:4.6.0-6. 100% | 297.0 MiB/s | 608.2 KiB |  00m00s
[ 30/101] Installing fribidi-0:1.0.15-2 100% | 362.2 MiB/s | 370.9 KiB |  00m00s
[ 31/101] Installing libXau-0:1.0.11-7. 100% |  66.8 MiB/s |  68.4 KiB |  00m00s
[ 32/101] Installing libxcb-0:1.17.0-2. 100% | 279.1 MiB/s |   1.1 MiB |  00m00s
[ 33/101] Installing openjpeg-0:2.5.2-3 100% | 437.2 MiB/s | 447.7 KiB |  00m00s
[ 34/101] Installing libimagequant-0:4. 100% | 326.3 MiB/s | 668.3 KiB |  00m00s
[ 35/101] Installing lcms2-0:2.16-4.fc4 100% | 208.3 MiB/s | 426.5 KiB |  00m00s
[ 36/101] Installing libX11-common-0:1. 100% | 169.6 MiB/s |   1.2 MiB |  00m00s
[ 37/101] Installing libX11-0:1.8.10-2. 100% | 427.2 MiB/s |   1.3 MiB |  00m00s
[ 38/101] Installing libXrender-0:0.9.1 100% |   0.0   B/s |  51.4 KiB |  00m00s
[ 39/101] Installing libXext-0:1.3.6-2. 100% |  22.3 MiB/s |  91.3 KiB |  00m00s
>>> Running pre-install scriptlet: xml-common-0:0.6.3-65.fc41.noarch
>>> Stop pre-install scriptlet: xml-common-0:0.6.3-65.fc41.noarch
[ 40/101] Installing xml-common-0:0.6.3 100% |  79.2 MiB/s |  81.1 KiB |  00m00s
[ 41/101] Installing graphite2-0:1.3.14 100% | 189.6 MiB/s | 194.1 KiB |  00m00s
[ 42/101] Installing nettle-0:3.10-3.fc 100% | 388.7 MiB/s | 796.1 KiB |  00m00s
[ 43/101] Installing gnutls-0:3.8.6-7.f 100% | 358.2 MiB/s |   3.2 MiB |  00m00s
[ 44/101] Installing glib2-0:2.82.0-1.f 100% | 432.0 MiB/s |  14.7 MiB |  00m00s
[ 45/101] Installing freetype-0:2.13.2- 100% | 277.4 MiB/s | 852.3 KiB |  00m00s
[ 46/101] Installing harfbuzz-0:9.0.0-3 100% | 378.6 MiB/s |   2.7 MiB |  00m00s
[ 47/101] Installing fontconfig-0:2.15. 100% | 794.4 KiB/s | 811.1 KiB |  00m01s
>>> Running post-install scriptlet: fontconfig-0:2.15.0-8.fc41.x86_64
>>> Stop post-install scriptlet: fontconfig-0:2.15.0-8.fc41.x86_64
[ 48/101] Installing libXft-0:2.3.8-7.f 100% |  32.4 MiB/s | 166.0 KiB |  00m00s
>>> Running pre-install scriptlet: tk-1:8.6.14-2.fc41.x86_64
>>> Stop pre-install scriptlet: tk-1:8.6.14-2.fc41.x86_64
[ 49/101] Installing tk-1:8.6.14-2.fc41 100% | 305.0 MiB/s |   3.7 MiB |  00m00s
[ 50/101] Installing cairo-0:1.18.0-4.f 100% | 435.9 MiB/s |   1.7 MiB |  00m00s
[ 51/101] Installing libraqm-0:0.8.0-8. 100% |   0.0   B/s |  29.7 KiB |  00m00s
[ 52/101] Installing mpdecimal-0:2.5.1- 100% | 201.2 MiB/s | 206.0 KiB |  00m00s
[ 53/101] Installing libb2-0:0.98.1-12. 100% |   0.0   B/s |  43.3 KiB |  00m00s
[ 54/101] Installing expat-0:2.6.2-2.fc 100% |  56.0 MiB/s | 286.8 KiB |  00m00s
[ 55/101] Installing python3-libs-0:3.1 100% | 387.5 MiB/s |  40.7 MiB |  00m00s
[ 56/101] Installing python3-0:3.13.0~r 100% |  32.8 MiB/s |  33.6 KiB |  00m00s
[ 57/101] Installing python3-packaging- 100% | 211.5 MiB/s | 433.2 KiB |  00m00s
[ 58/101] Installing python3-tkinter-0: 100% | 329.8 MiB/s |   2.0 MiB |  00m00s
[ 59/101] Installing python3-idna-0:3.8 100% | 294.3 MiB/s | 602.7 KiB |  00m00s
[ 60/101] Installing python3-six-0:1.16 100% | 117.9 MiB/s | 120.7 KiB |  00m00s
[ 61/101] Installing python3-dateutil-1 100% | 290.7 MiB/s | 892.9 KiB |  00m00s
[ 62/101] Installing python3-urllib3-0: 100% | 250.7 MiB/s |   1.0 MiB |  00m00s
[ 63/101] Installing python3-rpm-genera 100% |  81.0 MiB/s |  82.9 KiB |  00m00s
[ 64/101] Installing python3-devel-0:3. 100% | 226.4 MiB/s |   1.8 MiB |  00m00s
[ 65/101] Installing python3-setuptools 100% | 305.4 MiB/s |   7.3 MiB |  00m00s
[ 66/101] Installing python3-cycler-0:0 100% |  38.9 MiB/s |  39.8 KiB |  00m00s
[ 67/101] Installing python3-pyparsing- 100% | 329.6 MiB/s |   1.0 MiB |  00m00s
[ 68/101] Installing python3-platformdi 100% | 170.9 MiB/s | 175.0 KiB |  00m00s
[ 69/101] Installing python3-olefile-0: 100% | 167.8 MiB/s | 343.6 KiB |  00m00s
[ 70/101] Installing python3-pillow-0:1 100% | 339.8 MiB/s |   3.7 MiB |  00m00s
[ 71/101] Installing python3-pillow-tk- 100% |  68.4 MiB/s |  70.1 KiB |  00m00s
[ 72/101] Installing python3-pluggy-0:1 100% | 194.7 MiB/s | 199.4 KiB |  00m00s
[ 73/101] Installing python3-charset-no 100% | 158.5 MiB/s | 324.7 KiB |  00m00s
[ 74/101] Installing python3-requests-0 100% | 243.2 MiB/s | 498.0 KiB |  00m00s
[ 75/101] Installing python3-pooch-0:1. 100% | 312.7 MiB/s | 640.5 KiB |  00m00s
[ 76/101] Installing python3-iniconfig- 100% |  11.5 MiB/s |  23.6 KiB |  00m00s
[ 77/101] Installing python3-pytest-0:8 100% | 526.4 MiB/s |  21.1 MiB |  00m00s
[ 78/101] Installing python3-cairo-0:1. 100% | 242.5 MiB/s | 496.6 KiB |  00m00s
[ 79/101] Installing python3-brotli-0:1 100% | 272.9 MiB/s | 838.5 KiB |  00m00s
[ 80/101] Installing python3-lxml-0:5.2 100% | 382.1 MiB/s |   5.0 MiB |  00m00s
[ 81/101] Installing python3-appdirs-0: 100% |  69.2 MiB/s |  70.9 KiB |  00m00s
[ 82/101] Installing python3-fs-0:2.4.1 100% | 268.3 MiB/s |   1.3 MiB |  00m00s
[ 83/101] Installing python3-kiwisolver 100% | 154.1 MiB/s | 157.8 KiB |  00m00s
[ 84/101] Installing libquadmath-0:14.2 100% | 319.5 MiB/s | 327.2 KiB |  00m00s
[ 85/101] Installing flexiblas-0:3.4.4- 100% |   0.0   B/s |  49.7 KiB |  00m00s
[ 86/101] Installing flexiblas-openblas 100% |   0.0   B/s |  44.1 KiB |  00m00s
[ 87/101] Installing flexiblas-netlib-0 100% | 395.0 MiB/s |  10.7 MiB |  00m00s
[ 88/101] Installing python3-numpy-1:1. 100% | 459.7 MiB/s |  44.1 MiB |  00m00s
[ 89/101] Installing python3-numpy-f2py 100% | 202.6 MiB/s |   2.8 MiB |  00m00s
[ 90/101] Installing python3-scipy-0:1. 100% | 430.7 MiB/s |  62.9 MiB |  00m00s
[ 91/101] Installing python3-fonttools- 100% | 409.5 MiB/s |  18.4 MiB |  00m00s
[ 92/101] Installing python3-contourpy- 100% | 267.3 MiB/s | 821.2 KiB |  00m00s
[ 93/101] Installing gettext-envsubst-0 100% |  74.6 MiB/s |  76.3 KiB |  00m00s
[ 94/101] Installing gettext-runtime-0: 100% | 159.7 MiB/s | 490.7 KiB |  00m00s
[ 95/101] Installing libqhull_r-1:8.0.2 100% | 472.9 MiB/s | 484.2 KiB |  00m00s
[ 96/101] Installing python3-matplotlib 100% |  86.4 MiB/s | 265.3 KiB |  00m00s
[ 97/101] Installing python3-matplotlib 100% | 402.5 MiB/s |  21.3 MiB |  00m00s
[ 98/101] Installing emacs-filesystem-1 100% |   0.0   B/s | 544.0   B |  00m00s
[ 99/101] Installing desktop-file-utils 100% | 114.3 MiB/s | 234.2 KiB |  00m00s
[100/101] Installing gettext-0:0.22.5-6 100% | 436.6 MiB/s |   5.2 MiB |  00m00s
warning: posix.fork(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
warning: posix.wait(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
warning: posix.exec(): .fork(), .exec(), .wait() and .redirect2null() are deprecated, use rpm.execute() instead
[101/101] Installing python3-pytest-moc 100% |   1.3 MiB/s | 121.9 KiB |  00m00s
>>> Running post-transaction scriptlet: fontconfig-0:2.15.0-8.fc41.x86_64
>>> Stop post-transaction scriptlet: fontconfig-0:2.15.0-8.fc41.x86_64
>>> Running trigger-install scriptlet: glibc-common-0:2.40-3.fc41.x86_64
>>> Stop trigger-install scriptlet: glibc-common-0:2.40-3.fc41.x86_64
>>> Running trigger-install scriptlet: info-0:7.1-3.fc41.x86_64
>>> Stop trigger-install scriptlet: info-0:7.1-3.fc41.x86_64
>>> Running trigger-install scriptlet: glib2-0:2.82.0-1.fc41.x86_64
>>> Stop trigger-install scriptlet: glib2-0:2.82.0-1.fc41.x86_64
>>> Running trigger-install scriptlet: fontconfig-0:2.15.0-8.fc41.x86_64
>>> Stop trigger-install scriptlet: fontconfig-0:2.15.0-8.fc41.x86_64
Complete!
Warning: skipped PGP checks for 9 packages from repository: copr_base
Finish: build setup for python-ase-3.23.0-4.fc41.src.rpm
Start: rpmbuild python-ase-3.23.0-4.fc41.src.rpm
Building target platforms: x86_64
Building for target x86_64
setting SOURCE_DATE_EPOCH=1725408000
Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.5cW0Iy
+ umask 022
+ cd /builddir/build/BUILD/python-ase-3.23.0-build
+ test -d /builddir/build/BUILD/python-ase-3.23.0-build
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w /builddir/build/BUILD/python-ase-3.23.0-build
+ /usr/bin/rm -rf /builddir/build/BUILD/python-ase-3.23.0-build
+ /usr/bin/mkdir -p /builddir/build/BUILD/python-ase-3.23.0-build
+ /usr/bin/mkdir -p /builddir/build/BUILD/python-ase-3.23.0-build/SPECPARTS
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.T6s4AY
+ umask 022
+ cd /builddir/build/BUILD/python-ase-3.23.0-build
+ cd /builddir/build/BUILD/python-ase-3.23.0-build
+ rm -rf ase-3.23.0
+ /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/ase-3.23.0.tar.gz
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd ase-3.23.0
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
+ rm -f ase/test/fio/test_espresso.py
+ cp -p doc/static/ase256.png ase.png
+ cp -p doc/ase-gui.desktop ase-gui.desktop
+ rm -rf doc
+ find . -name '*.py'
+ xargs sed -i '1s|^#!python|#!/usr/bin/python3|'
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.QffGhO
+ umask 022
+ cd /builddir/build/BUILD/python-ase-3.23.0-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd ase-3.23.0
+ /usr/bin/python3 setup.py build
running build
running build_py
creating build
creating build/lib
creating build/lib/ase
copying ase/__init__.py -> build/lib/ase
copying ase/__main__.py -> build/lib/ase
copying ase/atom.py -> build/lib/ase
copying ase/atoms.py -> build/lib/ase
copying ase/autoneb.py -> build/lib/ase
copying ase/cell.py -> build/lib/ase
copying ase/codes.py -> build/lib/ase
copying ase/config.py -> build/lib/ase
copying ase/constraints.py -> build/lib/ase
copying ase/dependencies.py -> build/lib/ase
copying ase/dimer.py -> build/lib/ase
copying ase/dyneb.py -> build/lib/ase
copying ase/eos.py -> build/lib/ase
copying ase/filters.py -> build/lib/ase
copying ase/formula.py -> build/lib/ase
copying ase/neb.py -> build/lib/ase
copying ase/neighborlist.py -> build/lib/ase
copying ase/nomad.py -> build/lib/ase
copying ase/outputs.py -> build/lib/ase
copying ase/parallel.py -> build/lib/ase
copying ase/phasediagram.py -> build/lib/ase
copying ase/phonons.py -> build/lib/ase
copying ase/quaternions.py -> build/lib/ase
copying ase/stress.py -> build/lib/ase
copying ase/symbols.py -> build/lib/ase
copying ase/thermochemistry.py -> build/lib/ase
copying ase/units.py -> build/lib/ase
creating build/lib/ase/visualize
copying ase/visualize/__init__.py -> build/lib/ase/visualize
copying ase/visualize/mlab.py -> build/lib/ase/visualize
copying ase/visualize/ngl.py -> build/lib/ase/visualize
copying ase/visualize/paraview_script.py -> build/lib/ase/visualize
copying ase/visualize/plot.py -> build/lib/ase/visualize
copying ase/visualize/sage.py -> build/lib/ase/visualize
copying ase/visualize/viewers.py -> build/lib/ase/visualize
copying ase/visualize/x3d.py -> build/lib/ase/visualize
creating build/lib/ase/vibrations
copying ase/vibrations/__init__.py -> build/lib/ase/vibrations
copying ase/vibrations/albrecht.py -> build/lib/ase/vibrations
copying ase/vibrations/data.py -> build/lib/ase/vibrations
copying ase/vibrations/franck_condon.py -> build/lib/ase/vibrations
copying ase/vibrations/infrared.py -> build/lib/ase/vibrations
copying ase/vibrations/pickle2json.py -> build/lib/ase/vibrations
copying ase/vibrations/placzek.py -> build/lib/ase/vibrations
copying ase/vibrations/raman.py -> build/lib/ase/vibrations
copying ase/vibrations/resonant_raman.py -> build/lib/ase/vibrations
copying ase/vibrations/vibrations.py -> build/lib/ase/vibrations
creating build/lib/ase/utils
copying ase/utils/__init__.py -> build/lib/ase/utils
copying ase/utils/abc.py -> build/lib/ase/utils
copying ase/utils/arraywrapper.py -> build/lib/ase/utils
copying ase/utils/build_web_page.py -> build/lib/ase/utils
copying ase/utils/cext.py -> build/lib/ase/utils
copying ase/utils/checkimports.py -> build/lib/ase/utils
copying ase/utils/cube.py -> build/lib/ase/utils
copying ase/utils/deltacodesdft.py -> build/lib/ase/utils
copying ase/utils/ff.py -> build/lib/ase/utils
copying ase/utils/filecache.py -> build/lib/ase/utils
copying ase/utils/forcecurve.py -> build/lib/ase/utils
copying ase/utils/linesearch.py -> build/lib/ase/utils
copying ase/utils/linesearcharmijo.py -> build/lib/ase/utils
copying ase/utils/newrelease.py -> build/lib/ase/utils
copying ase/utils/parsemath.py -> build/lib/ase/utils
copying ase/utils/plotting.py -> build/lib/ase/utils
copying ase/utils/plugins.py -> build/lib/ase/utils
copying ase/utils/ptable.py -> build/lib/ase/utils
copying ase/utils/sphinx.py -> build/lib/ase/utils
copying ase/utils/structure_comparator.py -> build/lib/ase/utils
copying ase/utils/timing.py -> build/lib/ase/utils
copying ase/utils/xrdebye.py -> build/lib/ase/utils
creating build/lib/ase/transport
copying ase/transport/__init__.py -> build/lib/ase/transport
copying ase/transport/calculators.py -> build/lib/ase/transport
copying ase/transport/greenfunction.py -> build/lib/ase/transport
copying ase/transport/selfenergy.py -> build/lib/ase/transport
copying ase/transport/stm.py -> build/lib/ase/transport
copying ase/transport/tools.py -> build/lib/ase/transport
creating build/lib/ase/test
copying ase/test/__init__.py -> build/lib/ase/test
copying ase/test/conftest.py -> build/lib/ase/test
copying ase/test/factories.py -> build/lib/ase/test
copying ase/test/test_bader.py -> build/lib/ase/test
copying ase/test/test_bandpath_kpts_axis.py -> build/lib/ase/test
copying ase/test/test_basin.py -> build/lib/ase/test
copying ase/test/test_calc_outputs_big.py -> build/lib/ase/test
copying ase/test/test_calc_properties.py -> build/lib/ase/test
copying ase/test/test_calculator_equal.py -> build/lib/ase/test
copying ase/test/test_calculator_label.py -> build/lib/ase/test
copying ase/test/test_checkpoint.py -> build/lib/ase/test
copying ase/test/test_cluster.py -> build/lib/ase/test
copying ase/test/test_cutoffs.py -> build/lib/ase/test
copying ase/test/test_dependency_list.py -> build/lib/ase/test
copying ase/test/test_diffusion_coefficient.py -> build/lib/ase/test
copying ase/test/test_dimer.py -> build/lib/ase/test
copying ase/test/test_dimer_method.py -> build/lib/ase/test
copying ase/test/test_distmom.py -> build/lib/ase/test
copying ase/test/test_doctests.py -> build/lib/ase/test
copying ase/test/test_dos.py -> build/lib/ase/test
copying ase/test/test_eos.py -> build/lib/ase/test
copying ase/test/test_example.py -> build/lib/ase/test
copying ase/test/test_external_viewer.py -> build/lib/ase/test
copying ase/test/test_filecache.py -> build/lib/ase/test
copying ase/test/test_forcecurve.py -> build/lib/ase/test
copying ase/test/test_formula.py -> build/lib/ase/test
copying ase/test/test_grid_slice.py -> build/lib/ase/test
copying ase/test/test_gromacs.py -> build/lib/ase/test
copying ase/test/test_hcp.py -> build/lib/ase/test
copying ase/test/test_imports.py -> build/lib/ase/test
copying ase/test/test_isotopes.py -> build/lib/ase/test
copying ase/test/test_issue276.py -> build/lib/ase/test
copying ase/test/test_kpts.py -> build/lib/ase/test
copying ase/test/test_kpts2kpts.py -> build/lib/ase/test
copying ase/test/test_lattice_lindep.py -> build/lib/ase/test
copying ase/test/test_linesearch_maxstep.py -> build/lib/ase/test
copying ase/test/test_lock.py -> build/lib/ase/test
copying ase/test/test_loggingcalc.py -> build/lib/ase/test
copying ase/test/test_makebandpath.py -> build/lib/ase/test
copying ase/test/test_matplotlib_plot.py -> build/lib/ase/test
copying ase/test/test_minimum_image_convention.py -> build/lib/ase/test
copying ase/test/test_mixingcalc.py -> build/lib/ase/test
copying ase/test/test_mpi.py -> build/lib/ase/test
copying ase/test/test_noncollinear.py -> build/lib/ase/test
copying ase/test/test_nwchem_writer.py -> build/lib/ase/test
copying ase/test/test_parsemath.py -> build/lib/ase/test
copying ase/test/test_pathlib_support.py -> build/lib/ase/test
copying ase/test/test_phasediagram.py -> build/lib/ase/test
copying ase/test/test_phonons.py -> build/lib/ase/test
copying ase/test/test_potential_energies.py -> build/lib/ase/test
copying ase/test/test_pourbaix.py -> build/lib/ase/test
copying ase/test/test_properties.py -> build/lib/ase/test
copying ase/test/test_ptable.py -> build/lib/ase/test
copying ase/test/test_pubchem.py -> build/lib/ase/test
copying ase/test/test_quaternions.py -> build/lib/ase/test
copying ase/test/test_root_surf.py -> build/lib/ase/test
copying ase/test/test_s22.py -> build/lib/ase/test
copying ase/test/test_singlepoint_dft_calc.py -> build/lib/ase/test
copying ase/test/test_singlepointcalc.py -> build/lib/ase/test
copying ase/test/test_springcalc.py -> build/lib/ase/test
copying ase/test/test_stm.py -> build/lib/ase/test
copying ase/test/test_stress.py -> build/lib/ase/test
copying ase/test/test_structure_comparator.py -> build/lib/ase/test
copying ase/test/test_symbols.py -> build/lib/ase/test
copying ase/test/test_thermochemistry.py -> build/lib/ase/test
copying ase/test/test_things.py -> build/lib/ase/test
copying ase/test/test_timing.py -> build/lib/ase/test
copying ase/test/test_units.py -> build/lib/ase/test
copying ase/test/test_util.py -> build/lib/ase/test
copying ase/test/test_versionnumber.py -> build/lib/ase/test
copying ase/test/test_x3d.py -> build/lib/ase/test
copying ase/test/test_xrdebye.py -> build/lib/ase/test
copying ase/test/test_xwopen.py -> build/lib/ase/test
copying ase/test/test_zmatrix.py -> build/lib/ase/test
copying ase/test/testsuite.py -> build/lib/ase/test
copying ase/test/utils.py -> build/lib/ase/test
creating build/lib/ase/spectrum
copying ase/spectrum/__init__.py -> build/lib/ase/spectrum
copying ase/spectrum/band_structure.py -> build/lib/ase/spectrum
copying ase/spectrum/doscollection.py -> build/lib/ase/spectrum
copying ase/spectrum/dosdata.py -> build/lib/ase/spectrum
creating build/lib/ase/spacegroup
copying ase/spacegroup/__init__.py -> build/lib/ase/spacegroup
copying ase/spacegroup/crystal_data.py -> build/lib/ase/spacegroup
copying ase/spacegroup/spacegroup.py -> build/lib/ase/spacegroup
copying ase/spacegroup/symmetrize.py -> build/lib/ase/spacegroup
copying ase/spacegroup/utils.py -> build/lib/ase/spacegroup
copying ase/spacegroup/xtal.py -> build/lib/ase/spacegroup
creating build/lib/ase/optimize
copying ase/optimize/__init__.py -> build/lib/ase/optimize
copying ase/optimize/basin.py -> build/lib/ase/optimize
copying ase/optimize/bfgs.py -> build/lib/ase/optimize
copying ase/optimize/bfgslinesearch.py -> build/lib/ase/optimize
copying ase/optimize/cellawarebfgs.py -> build/lib/ase/optimize
copying ase/optimize/climbfixinternals.py -> build/lib/ase/optimize
copying ase/optimize/fire.py -> build/lib/ase/optimize
copying ase/optimize/fire2.py -> build/lib/ase/optimize
copying ase/optimize/lbfgs.py -> build/lib/ase/optimize
copying ase/optimize/mdmin.py -> build/lib/ase/optimize
copying ase/optimize/minimahopping.py -> build/lib/ase/optimize
copying ase/optimize/ode.py -> build/lib/ase/optimize
copying ase/optimize/oldqn.py -> build/lib/ase/optimize
copying ase/optimize/optimize.py -> build/lib/ase/optimize
copying ase/optimize/sciopt.py -> build/lib/ase/optimize
creating build/lib/ase/mep
copying ase/mep/__init__.py -> build/lib/ase/mep
copying ase/mep/autoneb.py -> build/lib/ase/mep
copying ase/mep/dimer.py -> build/lib/ase/mep
copying ase/mep/dyneb.py -> build/lib/ase/mep
copying ase/mep/neb.py -> build/lib/ase/mep
creating build/lib/ase/md
copying ase/md/__init__.py -> build/lib/ase/md
copying ase/md/analysis.py -> build/lib/ase/md
copying ase/md/andersen.py -> build/lib/ase/md
copying ase/md/contour_exploration.py -> build/lib/ase/md
copying ase/md/fix.py -> build/lib/ase/md
copying ase/md/langevin.py -> build/lib/ase/md
copying ase/md/logger.py -> build/lib/ase/md
copying ase/md/md.py -> build/lib/ase/md
copying ase/md/npt.py -> build/lib/ase/md
copying ase/md/nptberendsen.py -> build/lib/ase/md
copying ase/md/nvtberendsen.py -> build/lib/ase/md
copying ase/md/switch_langevin.py -> build/lib/ase/md
copying ase/md/velocitydistribution.py -> build/lib/ase/md
copying ase/md/verlet.py -> build/lib/ase/md
creating build/lib/ase/lattice
copying ase/lattice/__init__.py -> build/lib/ase/lattice
copying ase/lattice/bravais.py -> build/lib/ase/lattice
copying ase/lattice/compounds.py -> build/lib/ase/lattice
copying ase/lattice/cubic.py -> build/lib/ase/lattice
copying ase/lattice/hexagonal.py -> build/lib/ase/lattice
copying ase/lattice/monoclinic.py -> build/lib/ase/lattice
copying ase/lattice/orthorhombic.py -> build/lib/ase/lattice
copying ase/lattice/tetragonal.py -> build/lib/ase/lattice
copying ase/lattice/triclinic.py -> build/lib/ase/lattice
creating build/lib/ase/io
copying ase/io/__init__.py -> build/lib/ase/io
copying ase/io/abinit.py -> build/lib/ase/io
copying ase/io/acemolecule.py -> build/lib/ase/io
copying ase/io/aff.py -> build/lib/ase/io
copying ase/io/aims.py -> build/lib/ase/io
copying ase/io/animation.py -> build/lib/ase/io
copying ase/io/bader.py -> build/lib/ase/io
copying ase/io/bundlemanipulate.py -> build/lib/ase/io
copying ase/io/bundletrajectory.py -> build/lib/ase/io
copying ase/io/bytes.py -> build/lib/ase/io
copying ase/io/cfg.py -> build/lib/ase/io
copying ase/io/cif.py -> build/lib/ase/io
copying ase/io/cif_unicode.py -> build/lib/ase/io
copying ase/io/cjson.py -> build/lib/ase/io
copying ase/io/cmdft.py -> build/lib/ase/io
copying ase/io/cp2k.py -> build/lib/ase/io
copying ase/io/crystal.py -> build/lib/ase/io
copying ase/io/cube.py -> build/lib/ase/io
copying ase/io/dacapo.py -> build/lib/ase/io
copying ase/io/db.py -> build/lib/ase/io
copying ase/io/dftb.py -> build/lib/ase/io
copying ase/io/dlp4.py -> build/lib/ase/io
copying ase/io/dmol.py -> build/lib/ase/io
copying ase/io/elk.py -> build/lib/ase/io
copying ase/io/eon.py -> build/lib/ase/io
copying ase/io/eps.py -> build/lib/ase/io
copying ase/io/espresso.py -> build/lib/ase/io
copying ase/io/exciting.py -> build/lib/ase/io
copying ase/io/extxyz.py -> build/lib/ase/io
copying ase/io/findsym.py -> build/lib/ase/io
copying ase/io/formats.py -> build/lib/ase/io
copying ase/io/gamess_us.py -> build/lib/ase/io
copying ase/io/gaussian.py -> build/lib/ase/io
copying ase/io/gen.py -> build/lib/ase/io
copying ase/io/gpaw_out.py -> build/lib/ase/io
copying ase/io/gpumd.py -> build/lib/ase/io
copying ase/io/gpw.py -> build/lib/ase/io
copying ase/io/gromacs.py -> build/lib/ase/io
copying ase/io/gromos.py -> build/lib/ase/io
copying ase/io/jsonio.py -> build/lib/ase/io
copying ase/io/jsv.py -> build/lib/ase/io
copying ase/io/lammpsdata.py -> build/lib/ase/io
copying ase/io/lammpsrun.py -> build/lib/ase/io
copying ase/io/magres.py -> build/lib/ase/io
copying ase/io/mol.py -> build/lib/ase/io
copying ase/io/mustem.py -> build/lib/ase/io
copying ase/io/netcdftrajectory.py -> build/lib/ase/io
copying ase/io/nomad_json.py -> build/lib/ase/io
copying ase/io/onetep.py -> build/lib/ase/io
copying ase/io/opls.py -> build/lib/ase/io
copying ase/io/orca.py -> build/lib/ase/io
copying ase/io/pickletrajectory.py -> build/lib/ase/io
copying ase/io/png.py -> build/lib/ase/io
copying ase/io/pov.py -> build/lib/ase/io
copying ase/io/prismatic.py -> build/lib/ase/io
copying ase/io/proteindatabank.py -> build/lib/ase/io
copying ase/io/py.py -> build/lib/ase/io
copying ase/io/qbox.py -> build/lib/ase/io
copying ase/io/res.py -> build/lib/ase/io
copying ase/io/rmc6f.py -> build/lib/ase/io
copying ase/io/sdf.py -> build/lib/ase/io
copying ase/io/siesta.py -> build/lib/ase/io
copying ase/io/siesta_input.py -> build/lib/ase/io
copying ase/io/siesta_output.py -> build/lib/ase/io
copying ase/io/sys.py -> build/lib/ase/io
copying ase/io/trajectory.py -> build/lib/ase/io
copying ase/io/turbomole.py -> build/lib/ase/io
copying ase/io/ulm.py -> build/lib/ase/io
copying ase/io/utils.py -> build/lib/ase/io
copying ase/io/v_sim.py -> build/lib/ase/io
copying ase/io/vasp.py -> build/lib/ase/io
copying ase/io/vtkxml.py -> build/lib/ase/io
copying ase/io/wannier90.py -> build/lib/ase/io
copying ase/io/wien2k.py -> build/lib/ase/io
copying ase/io/x3d.py -> build/lib/ase/io
copying ase/io/xsd.py -> build/lib/ase/io
copying ase/io/xsf.py -> build/lib/ase/io
copying ase/io/xtd.py -> build/lib/ase/io
copying ase/io/xyz.py -> build/lib/ase/io
copying ase/io/zmatrix.py -> build/lib/ase/io
creating build/lib/ase/gui
copying ase/gui/__init__.py -> build/lib/ase/gui
copying ase/gui/add.py -> build/lib/ase/gui
copying ase/gui/ag.py -> build/lib/ase/gui
copying ase/gui/celleditor.py -> build/lib/ase/gui
copying ase/gui/clipboard.py -> build/lib/ase/gui
copying ase/gui/colors.py -> build/lib/ase/gui
copying ase/gui/constraints.py -> build/lib/ase/gui
copying ase/gui/defaults.py -> build/lib/ase/gui
copying ase/gui/graphs.py -> build/lib/ase/gui
copying ase/gui/gui.py -> build/lib/ase/gui
copying ase/gui/i18n.py -> build/lib/ase/gui
copying ase/gui/images.py -> build/lib/ase/gui
copying ase/gui/modify.py -> build/lib/ase/gui
copying ase/gui/movie.py -> build/lib/ase/gui
copying ase/gui/nanoparticle.py -> build/lib/ase/gui
copying ase/gui/nanotube.py -> build/lib/ase/gui
copying ase/gui/pipe.py -> build/lib/ase/gui
copying ase/gui/quickinfo.py -> build/lib/ase/gui
copying ase/gui/render.py -> build/lib/ase/gui
copying ase/gui/repeat.py -> build/lib/ase/gui
copying ase/gui/rotate.py -> build/lib/ase/gui
copying ase/gui/save.py -> build/lib/ase/gui
copying ase/gui/settings.py -> build/lib/ase/gui
copying ase/gui/status.py -> build/lib/ase/gui
copying ase/gui/surfaceslab.py -> build/lib/ase/gui
copying ase/gui/ui.py -> build/lib/ase/gui
copying ase/gui/utils.py -> build/lib/ase/gui
copying ase/gui/view.py -> build/lib/ase/gui
copying ase/gui/widgets.py -> build/lib/ase/gui
creating build/lib/ase/geometry
copying ase/geometry/__init__.py -> build/lib/ase/geometry
copying ase/geometry/analysis.py -> build/lib/ase/geometry
copying ase/geometry/bravais_type_engine.py -> build/lib/ase/geometry
copying ase/geometry/cell.py -> build/lib/ase/geometry
copying ase/geometry/distance.py -> build/lib/ase/geometry
copying ase/geometry/geometry.py -> build/lib/ase/geometry
copying ase/geometry/minkowski_reduction.py -> build/lib/ase/geometry
copying ase/geometry/rdf.py -> build/lib/ase/geometry
creating build/lib/ase/ga
copying ase/ga/__init__.py -> build/lib/ase/ga
copying ase/ga/bulk_crossovers.py -> build/lib/ase/ga
copying ase/ga/bulk_mutations.py -> build/lib/ase/ga
copying ase/ga/bulk_startgenerator.py -> build/lib/ase/ga
copying ase/ga/bulk_utilities.py -> build/lib/ase/ga
copying ase/ga/convergence.py -> build/lib/ase/ga
copying ase/ga/cutandsplicepairing.py -> build/lib/ase/ga
copying ase/ga/data.py -> build/lib/ase/ga
copying ase/ga/element_crossovers.py -> build/lib/ase/ga
copying ase/ga/element_mutations.py -> build/lib/ase/ga
copying ase/ga/multiprocessingrun.py -> build/lib/ase/ga
copying ase/ga/offspring_creator.py -> build/lib/ase/ga
copying ase/ga/ofp_comparator.py -> build/lib/ase/ga
copying ase/ga/parallellocalrun.py -> build/lib/ase/ga
copying ase/ga/particle_comparator.py -> build/lib/ase/ga
copying ase/ga/particle_crossovers.py -> build/lib/ase/ga
copying ase/ga/particle_mutations.py -> build/lib/ase/ga
copying ase/ga/pbs_queue_run.py -> build/lib/ase/ga
copying ase/ga/population.py -> build/lib/ase/ga
copying ase/ga/relax_attaches.py -> build/lib/ase/ga
copying ase/ga/slab_operators.py -> build/lib/ase/ga
copying ase/ga/soft_mutation.py -> build/lib/ase/ga
copying ase/ga/standard_comparators.py -> build/lib/ase/ga
copying ase/ga/standardmutations.py -> build/lib/ase/ga
copying ase/ga/startgenerator.py -> build/lib/ase/ga
copying ase/ga/utilities.py -> build/lib/ase/ga
creating build/lib/ase/dft
copying ase/dft/__init__.py -> build/lib/ase/dft
copying ase/dft/band_structure.py -> build/lib/ase/dft
copying ase/dft/bandgap.py -> build/lib/ase/dft
copying ase/dft/bee.py -> build/lib/ase/dft
copying ase/dft/bz.py -> build/lib/ase/dft
copying ase/dft/dos.py -> build/lib/ase/dft
copying ase/dft/kpoints.py -> build/lib/ase/dft
copying ase/dft/pars_beefvdw.py -> build/lib/ase/dft
copying ase/dft/pars_mbeef.py -> build/lib/ase/dft
copying ase/dft/pars_mbeefvdw.py -> build/lib/ase/dft
copying ase/dft/stm.py -> build/lib/ase/dft
copying ase/dft/wannier.py -> build/lib/ase/dft
copying ase/dft/wannierstate.py -> build/lib/ase/dft
creating build/lib/ase/db
copying ase/db/__init__.py -> build/lib/ase/db
copying ase/db/app.py -> build/lib/ase/db
copying ase/db/cli.py -> build/lib/ase/db
copying ase/db/convert.py -> build/lib/ase/db
copying ase/db/core.py -> build/lib/ase/db
copying ase/db/jsondb.py -> build/lib/ase/db
copying ase/db/mysql.py -> build/lib/ase/db
copying ase/db/postgresql.py -> build/lib/ase/db
copying ase/db/project.py -> build/lib/ase/db
copying ase/db/row.py -> build/lib/ase/db
copying ase/db/sqlite.py -> build/lib/ase/db
copying ase/db/table.py -> build/lib/ase/db
copying ase/db/web.py -> build/lib/ase/db
creating build/lib/ase/data
copying ase/data/__init__.py -> build/lib/ase/data
copying ase/data/cccbdb_ip.py -> build/lib/ase/data
copying ase/data/cohesive_energies.py -> build/lib/ase/data
copying ase/data/colors.py -> build/lib/ase/data
copying ase/data/dbh24.py -> build/lib/ase/data
copying ase/data/extra_molecules.py -> build/lib/ase/data
copying ase/data/g2.py -> build/lib/ase/data
copying ase/data/g2_1.py -> build/lib/ase/data
copying ase/data/g2_2.py -> build/lib/ase/data
copying ase/data/isotopes.py -> build/lib/ase/data
copying ase/data/pubchem.py -> build/lib/ase/data
copying ase/data/s22.py -> build/lib/ase/data
copying ase/data/vdw.py -> build/lib/ase/data
copying ase/data/vdw_alvarez.py -> build/lib/ase/data
creating build/lib/ase/collections
copying ase/collections/__init__.py -> build/lib/ase/collections
copying ase/collections/collection.py -> build/lib/ase/collections
copying ase/collections/create.py -> build/lib/ase/collections
creating build/lib/ase/cluster
copying ase/cluster/__init__.py -> build/lib/ase/cluster
copying ase/cluster/base.py -> build/lib/ase/cluster
copying ase/cluster/cluster.py -> build/lib/ase/cluster
copying ase/cluster/compounds.py -> build/lib/ase/cluster
copying ase/cluster/cubic.py -> build/lib/ase/cluster
copying ase/cluster/decahedron.py -> build/lib/ase/cluster
copying ase/cluster/factory.py -> build/lib/ase/cluster
copying ase/cluster/hexagonal.py -> build/lib/ase/cluster
copying ase/cluster/icosahedron.py -> build/lib/ase/cluster
copying ase/cluster/octahedron.py -> build/lib/ase/cluster
copying ase/cluster/util.py -> build/lib/ase/cluster
copying ase/cluster/wulff.py -> build/lib/ase/cluster
creating build/lib/ase/cli
copying ase/cli/__init__.py -> build/lib/ase/cli
copying ase/cli/band_structure.py -> build/lib/ase/cli
copying ase/cli/build.py -> build/lib/ase/cli
copying ase/cli/complete.py -> build/lib/ase/cli
copying ase/cli/completion.py -> build/lib/ase/cli
copying ase/cli/convert.py -> build/lib/ase/cli
copying ase/cli/db.py -> build/lib/ase/cli
copying ase/cli/diff.py -> build/lib/ase/cli
copying ase/cli/dimensionality.py -> build/lib/ase/cli
copying ase/cli/exec.py -> build/lib/ase/cli
copying ase/cli/find.py -> build/lib/ase/cli
copying ase/cli/info.py -> build/lib/ase/cli
copying ase/cli/main.py -> build/lib/ase/cli
copying ase/cli/nebplot.py -> build/lib/ase/cli
copying ase/cli/nomad.py -> build/lib/ase/cli
copying ase/cli/nomadget.py -> build/lib/ase/cli
copying ase/cli/reciprocal.py -> build/lib/ase/cli
copying ase/cli/run.py -> build/lib/ase/cli
copying ase/cli/template.py -> build/lib/ase/cli
copying ase/cli/ulm.py -> build/lib/ase/cli
creating build/lib/ase/calculators
copying ase/calculators/__init__.py -> build/lib/ase/calculators
copying ase/calculators/abc.py -> build/lib/ase/calculators
copying ase/calculators/abinit.py -> build/lib/ase/calculators
copying ase/calculators/acemolecule.py -> build/lib/ase/calculators
copying ase/calculators/acn.py -> build/lib/ase/calculators
copying ase/calculators/aims.py -> build/lib/ase/calculators
copying ase/calculators/amber.py -> build/lib/ase/calculators
copying ase/calculators/bond_polarizability.py -> build/lib/ase/calculators
copying ase/calculators/calculator.py -> build/lib/ase/calculators
copying ase/calculators/castep.py -> build/lib/ase/calculators
copying ase/calculators/checkpoint.py -> build/lib/ase/calculators
copying ase/calculators/combine_mm.py -> build/lib/ase/calculators
copying ase/calculators/counterions.py -> build/lib/ase/calculators
copying ase/calculators/cp2k.py -> build/lib/ase/calculators
copying ase/calculators/crystal.py -> build/lib/ase/calculators
copying ase/calculators/demonnano.py -> build/lib/ase/calculators
copying ase/calculators/dftb.py -> build/lib/ase/calculators
copying ase/calculators/dftd3.py -> build/lib/ase/calculators
copying ase/calculators/dmol.py -> build/lib/ase/calculators
copying ase/calculators/eam.py -> build/lib/ase/calculators
copying ase/calculators/elk.py -> build/lib/ase/calculators
copying ase/calculators/emt.py -> build/lib/ase/calculators
copying ase/calculators/espresso.py -> build/lib/ase/calculators
copying ase/calculators/excitation_list.py -> build/lib/ase/calculators
copying ase/calculators/ff.py -> build/lib/ase/calculators
copying ase/calculators/fleur.py -> build/lib/ase/calculators
copying ase/calculators/gamess_us.py -> build/lib/ase/calculators
copying ase/calculators/gaussian.py -> build/lib/ase/calculators
copying ase/calculators/genericfileio.py -> build/lib/ase/calculators
copying ase/calculators/gromacs.py -> build/lib/ase/calculators
copying ase/calculators/gulp.py -> build/lib/ase/calculators
copying ase/calculators/h2morse.py -> build/lib/ase/calculators
copying ase/calculators/harmonic.py -> build/lib/ase/calculators
copying ase/calculators/idealgas.py -> build/lib/ase/calculators
copying ase/calculators/lammpslib.py -> build/lib/ase/calculators
copying ase/calculators/lammpsrun.py -> build/lib/ase/calculators
copying ase/calculators/lj.py -> build/lib/ase/calculators
copying ase/calculators/loggingcalc.py -> build/lib/ase/calculators
copying ase/calculators/mixing.py -> build/lib/ase/calculators
copying ase/calculators/mopac.py -> build/lib/ase/calculators
copying ase/calculators/morse.py -> build/lib/ase/calculators
copying ase/calculators/names.py -> build/lib/ase/calculators
copying ase/calculators/nwchem.py -> build/lib/ase/calculators
copying ase/calculators/octopus.py -> build/lib/ase/calculators
copying ase/calculators/onetep.py -> build/lib/ase/calculators
copying ase/calculators/orca.py -> build/lib/ase/calculators
copying ase/calculators/plumed.py -> build/lib/ase/calculators
copying ase/calculators/polarizability.py -> build/lib/ase/calculators
copying ase/calculators/psi4.py -> build/lib/ase/calculators
copying ase/calculators/qchem.py -> build/lib/ase/calculators
copying ase/calculators/qmmm.py -> build/lib/ase/calculators
copying ase/calculators/singlepoint.py -> build/lib/ase/calculators
copying ase/calculators/socketio.py -> build/lib/ase/calculators
copying ase/calculators/subprocesscalculator.py -> build/lib/ase/calculators
copying ase/calculators/test.py -> build/lib/ase/calculators
copying ase/calculators/tip3p.py -> build/lib/ase/calculators
copying ase/calculators/tip4p.py -> build/lib/ase/calculators
copying ase/calculators/vdwcorrection.py -> build/lib/ase/calculators
creating build/lib/ase/build
copying ase/build/__init__.py -> build/lib/ase/build
copying ase/build/attach.py -> build/lib/ase/build
copying ase/build/bulk.py -> build/lib/ase/build
copying ase/build/connected.py -> build/lib/ase/build
copying ase/build/general_surface.py -> build/lib/ase/build
copying ase/build/molecule.py -> build/lib/ase/build
copying ase/build/niggli.py -> build/lib/ase/build
copying ase/build/ribbon.py -> build/lib/ase/build
copying ase/build/root.py -> build/lib/ase/build
copying ase/build/rotate.py -> build/lib/ase/build
copying ase/build/supercells.py -> build/lib/ase/build
copying ase/build/surface.py -> build/lib/ase/build
copying ase/build/surfaces_with_termination.py -> build/lib/ase/build
copying ase/build/tools.py -> build/lib/ase/build
copying ase/build/tube.py -> build/lib/ase/build
creating build/lib/ase/test/vibrations
copying ase/test/vibrations/__init__.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_albrecht.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_bond_polarizability_raman.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_combine.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_folding.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_franck_condon.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_pickle2json.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_placzek.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_profeta_albrecht.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_vib.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_vibrations_example.py -> build/lib/ase/test/vibrations
creating build/lib/ase/test/transport
copying ase/test/transport/__init__.py -> build/lib/ase/test/transport
copying ase/test/transport/test_transport_calculator.py -> build/lib/ase/test/transport
creating build/lib/ase/test/standardization
copying ase/test/standardization/__init__.py -> build/lib/ase/test/standardization
copying ase/test/standardization/test_properties.py -> build/lib/ase/test/standardization
creating build/lib/ase/test/spectrum
copying ase/test/spectrum/__init__.py -> build/lib/ase/test/spectrum
copying ase/test/spectrum/test_doscollection.py -> build/lib/ase/test/spectrum
copying ase/test/spectrum/test_dosdata.py -> build/lib/ase/test/spectrum
creating build/lib/ase/test/spacegroup
copying ase/test/spacegroup/test_minerals.py -> build/lib/ase/test/spacegroup
copying ase/test/spacegroup/test_space_group_data.py -> build/lib/ase/test/spacegroup
copying ase/test/spacegroup/test_spacegroup.py -> build/lib/ase/test/spacegroup
copying ase/test/spacegroup/test_spacegroup_crystal.py -> build/lib/ase/test/spacegroup
copying ase/test/spacegroup/test_spacegroup_utils.py -> build/lib/ase/test/spacegroup
creating build/lib/ase/test/precon
copying ase/test/precon/__init__.py -> build/lib/ase/test/precon
copying ase/test/precon/test_amin.py -> build/lib/ase/test/precon
copying ase/test/precon/test_ff_and_precon_c60.py -> build/lib/ase/test/precon
copying ase/test/precon/test_lbfgs.py -> build/lib/ase/test/precon
copying ase/test/precon/test_precon_assembly.py -> build/lib/ase/test/precon
copying ase/test/precon/test_smallcell.py -> build/lib/ase/test/precon
copying ase/test/precon/test_unitcellfilter.py -> build/lib/ase/test/precon
creating build/lib/ase/test/optimize
copying ase/test/optimize/__init__.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_bad_restart.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_cellawarebfgs.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_climb_fix_internals.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_fire.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_fire2.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_maxstep.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_minimahop.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_nsteps.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_optimize_stepwise.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_optimizer_restart.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_optimizers.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_replay.py -> build/lib/ase/test/optimize
creating build/lib/ase/test/neighbor
copying ase/test/neighbor/__init__.py -> build/lib/ase/test/neighbor
copying ase/test/neighbor/test_neighbor.py -> build/lib/ase/test/neighbor
copying ase/test/neighbor/test_neighbor_initialization.py -> build/lib/ase/test/neighbor
copying ase/test/neighbor/test_neighbor_kernel.py -> build/lib/ase/test/neighbor
creating build/lib/ase/test/neb
copying ase/test/neb/__init__.py -> build/lib/ase/test/neb
copying ase/test/neb/test_COCu111.py -> build/lib/ase/test/neb
copying ase/test/neb/test_COCu111_2.py -> build/lib/ase/test/neb
copying ase/test/neb/test_autoneb.py -> build/lib/ase/test/neb
copying ase/test/neb/test_dynamic_neb.py -> build/lib/ase/test/neb
copying ase/test/neb/test_idpp.py -> build/lib/ase/test/neb
copying ase/test/neb/test_interpolate_images.py -> build/lib/ase/test/neb
copying ase/test/neb/test_neb_tr.py -> build/lib/ase/test/neb
copying ase/test/neb/test_precon_neb.py -> build/lib/ase/test/neb
copying ase/test/neb/test_shared_calculator_neb.py -> build/lib/ase/test/neb
creating build/lib/ase/test/md
copying ase/test/md/__init__.py -> build/lib/ase/test/md
copying ase/test/md/test_CO2linear_Au111_langevin.py -> build/lib/ase/test/md
copying ase/test/md/test_ce_curvature.py -> build/lib/ase/test/md
copying ase/test/md/test_ce_logging.py -> build/lib/ase/test/md
copying ase/test/md/test_ce_potentiostat.py -> build/lib/ase/test/md
copying ase/test/md/test_fixrotation.py -> build/lib/ase/test/md
copying ase/test/md/test_idealgas.py -> build/lib/ase/test/md
copying ase/test/md/test_langevin_asapcompat.py -> build/lib/ase/test/md
copying ase/test/md/test_langevin_com.py -> build/lib/ase/test/md
copying ase/test/md/test_langevin_switching.py -> build/lib/ase/test/md
copying ase/test/md/test_maxwellboltzmann.py -> build/lib/ase/test/md
copying ase/test/md/test_md.py -> build/lib/ase/test/md
copying ase/test/md/test_md_logger.py -> build/lib/ase/test/md
copying ase/test/md/test_md_logger_interval.py -> build/lib/ase/test/md
copying ase/test/md/test_nvt_npt.py -> build/lib/ase/test/md
copying ase/test/md/test_phonon_md_init.py -> build/lib/ase/test/md
copying ase/test/md/test_velocity_distribution.py -> build/lib/ase/test/md
copying ase/test/md/test_verlet_thermostats_asap.py -> build/lib/ase/test/md
creating build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/__init__.py -> build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/comparison.py -> build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/conftest.py -> build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/parse_lammps_data_file.py -> build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/test_lammpsdata_read.py -> build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/test_lammpsdata_write.py -> build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/test_read_connectivity.py -> build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/test_write_and_read.py -> build/lib/ase/test/lammpsdata
creating build/lib/ase/test/gui
copying ase/test/gui/__init__.py -> build/lib/ase/test/gui
copying ase/test/gui/test_run.py -> build/lib/ase/test/gui
creating build/lib/ase/test/geometry
copying ase/test/geometry/__init__.py -> build/lib/ase/test/geometry
copying ase/test/geometry/test_analysis.py -> build/lib/ase/test/geometry
copying ase/test/geometry/test_dimensionality.py -> build/lib/ase/test/geometry
copying ase/test/geometry/test_distance.py -> build/lib/ase/test/geometry
copying ase/test/geometry/test_geometry.py -> build/lib/ase/test/geometry
copying ase/test/geometry/test_geometry_derivatives.py -> build/lib/ase/test/geometry
copying ase/test/geometry/test_geometry_rdf.py -> build/lib/ase/test/geometry
creating build/lib/ase/test/ga
copying ase/test/ga/__init__.py -> build/lib/ase/test/ga
copying ase/test/ga/test_add_candidates.py -> build/lib/ase/test/ga
copying ase/test/ga/test_basic_example_main_run.py -> build/lib/ase/test/ga
copying ase/test/ga/test_bulk_operators.py -> build/lib/ase/test/ga
copying ase/test/ga/test_chain_operators.py -> build/lib/ase/test/ga
copying ase/test/ga/test_create_database.py -> build/lib/ase/test/ga
copying ase/test/ga/test_cutandsplicepairing.py -> build/lib/ase/test/ga
copying ase/test/ga/test_database_logic.py -> build/lib/ase/test/ga
copying ase/test/ga/test_element_operators.py -> build/lib/ase/test/ga
copying ase/test/ga/test_film_operators.py -> build/lib/ase/test/ga
copying ase/test/ga/test_mutations.py -> build/lib/ase/test/ga
copying ase/test/ga/test_particle_comparators.py -> build/lib/ase/test/ga
copying ase/test/ga/test_particle_mutations.py -> build/lib/ase/test/ga
copying ase/test/ga/test_particle_operators.py -> build/lib/ase/test/ga
copying ase/test/ga/test_slab_operators.py -> build/lib/ase/test/ga
copying ase/test/ga/test_standardcomparator.py -> build/lib/ase/test/ga
creating build/lib/ase/test/forcefields
copying ase/test/forcefields/__init__.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_acn.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_aic.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_combine_mm.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_combine_mm2.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_counterions.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_forceqmmm.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_qmmm.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_qmmm_acn.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_rattle.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_rattle_linear.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_tip4p.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_tipnp.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_utils_ff_vdw.py -> build/lib/ase/test/forcefields
creating build/lib/ase/test/fio
copying ase/test/fio/__init__.py -> build/lib/ase/test/fio
copying ase/test/fio/conftest.py -> build/lib/ase/test/fio
copying ase/test/fio/test_abinit.py -> build/lib/ase/test/fio
copying ase/test/fio/test_ace.py -> build/lib/ase/test/fio
copying ase/test/fio/test_animate.py -> build/lib/ase/test/fio
copying ase/test/fio/test_atoms_bytes.py -> build/lib/ase/test/fio
copying ase/test/fio/test_castep.py -> build/lib/ase/test/fio
copying ase/test/fio/test_cfg.py -> build/lib/ase/test/fio
copying ase/test/fio/test_cif.py -> build/lib/ase/test/fio
copying ase/test/fio/test_cifblock.py -> build/lib/ase/test/fio
copying ase/test/fio/test_cjson.py -> build/lib/ase/test/fio
copying ase/test/fio/test_compression.py -> build/lib/ase/test/fio
copying ase/test/fio/test_cube.py -> build/lib/ase/test/fio
copying ase/test/fio/test_dftb.py -> build/lib/ase/test/fio
copying ase/test/fio/test_dlp.py -> build/lib/ase/test/fio
copying ase/test/fio/test_dmol.py -> build/lib/ase/test/fio
copying ase/test/fio/test_elk.py -> build/lib/ase/test/fio
copying ase/test/fio/test_eon_multi_image_read.py -> build/lib/ase/test/fio
copying ase/test/fio/test_eon_readwrite.py -> build/lib/ase/test/fio
copying ase/test/fio/test_espresso_ph.py -> build/lib/ase/test/fio
copying ase/test/fio/test_external_io_formats.py -> build/lib/ase/test/fio
copying ase/test/fio/test_extxyz.py -> build/lib/ase/test/fio
copying ase/test/fio/test_fileobj.py -> build/lib/ase/test/fio
copying ase/test/fio/test_formats.py -> build/lib/ase/test/fio
copying ase/test/fio/test_gaussian.py -> build/lib/ase/test/fio
copying ase/test/fio/test_gaussian_gjf_input.py -> build/lib/ase/test/fio
copying ase/test/fio/test_gaussian_out.py -> build/lib/ase/test/fio
copying ase/test/fio/test_gen.py -> build/lib/ase/test/fio
copying ase/test/fio/test_gpaw.py -> build/lib/ase/test/fio
copying ase/test/fio/test_gpumd.py -> build/lib/ase/test/fio
copying ase/test/fio/test_info.py -> build/lib/ase/test/fio
copying ase/test/fio/test_ioformats.py -> build/lib/ase/test/fio
copying ase/test/fio/test_iread_path.py -> build/lib/ase/test/fio
copying ase/test/fio/test_json_arrays.py -> build/lib/ase/test/fio
copying ase/test/fio/test_jsonio.py -> build/lib/ase/test/fio
copying ase/test/fio/test_jsonio_atoms.py -> build/lib/ase/test/fio
copying ase/test/fio/test_lammpsdump.py -> build/lib/ase/test/fio
copying ase/test/fio/test_magmom.py -> build/lib/ase/test/fio
copying ase/test/fio/test_magres.py -> build/lib/ase/test/fio
copying ase/test/fio/test_match_magic.py -> build/lib/ase/test/fio
copying ase/test/fio/test_mustem.py -> build/lib/ase/test/fio
copying ase/test/fio/test_netcdftrajectory.py -> build/lib/ase/test/fio
copying ase/test/fio/test_nomad.py -> build/lib/ase/test/fio
copying ase/test/fio/test_nwchem.py -> build/lib/ase/test/fio
copying ase/test/fio/test_octopus.py -> build/lib/ase/test/fio
copying ase/test/fio/test_oi.py -> build/lib/ase/test/fio
copying ase/test/fio/test_oldtraj.py -> build/lib/ase/test/fio
copying ase/test/fio/test_onetep.py -> build/lib/ase/test/fio
copying ase/test/fio/test_openmx.py -> build/lib/ase/test/fio
copying ase/test/fio/test_opls.py -> build/lib/ase/test/fio
copying ase/test/fio/test_orca.py -> build/lib/ase/test/fio
copying ase/test/fio/test_parallel.py -> build/lib/ase/test/fio
copying ase/test/fio/test_pdb_cell_io.py -> build/lib/ase/test/fio
copying ase/test/fio/test_pdb_extra.py -> build/lib/ase/test/fio
copying ase/test/fio/test_pickle_bundle_trajectory.py -> build/lib/ase/test/fio
copying ase/test/fio/test_povray.py -> build/lib/ase/test/fio
copying ase/test/fio/test_prismatic.py -> build/lib/ase/test/fio
copying ase/test/fio/test_proteindatabank.py -> build/lib/ase/test/fio
copying ase/test/fio/test_pycodcif_read.py -> build/lib/ase/test/fio
copying ase/test/fio/test_qbox.py -> build/lib/ase/test/fio
copying ase/test/fio/test_readwrite_errors.py -> build/lib/ase/test/fio
copying ase/test/fio/test_res.py -> build/lib/ase/test/fio
copying ase/test/fio/test_rmc6f.py -> build/lib/ase/test/fio
copying ase/test/fio/test_sdf.py -> build/lib/ase/test/fio
copying ase/test/fio/test_siesta.py -> build/lib/ase/test/fio
copying ase/test/fio/test_traj_bytesio.py -> build/lib/ase/test/fio
copying ase/test/fio/test_trajectory.py -> build/lib/ase/test/fio
copying ase/test/fio/test_trajectory_heterogeneous.py -> build/lib/ase/test/fio
copying ase/test/fio/test_turbomole.py -> build/lib/ase/test/fio
copying ase/test/fio/test_ulm.py -> build/lib/ase/test/fio
copying ase/test/fio/test_ulm_dummy.py -> build/lib/ase/test/fio
copying ase/test/fio/test_v_sim.py -> build/lib/ase/test/fio
copying ase/test/fio/test_vasp_structure.py -> build/lib/ase/test/fio
copying ase/test/fio/test_wout.py -> build/lib/ase/test/fio
copying ase/test/fio/test_xsd_bond.py -> build/lib/ase/test/fio
copying ase/test/fio/test_xsf_spec.py -> build/lib/ase/test/fio
copying ase/test/fio/test_xyz.py -> build/lib/ase/test/fio
creating build/lib/ase/test/filter
copying ase/test/filter/test_cellfilter.py -> build/lib/ase/test/filter
copying ase/test/filter/test_filter.py -> build/lib/ase/test/filter
copying ase/test/filter/test_strain.py -> build/lib/ase/test/filter
copying ase/test/filter/test_strain_emt.py -> build/lib/ase/test/filter
creating build/lib/ase/test/emt
copying ase/test/emt/__init__.py -> build/lib/ase/test/emt
copying ase/test/emt/test_emt.py -> build/lib/ase/test/emt
copying ase/test/emt/test_emt1.py -> build/lib/ase/test/emt
copying ase/test/emt/test_emt2.py -> build/lib/ase/test/emt
copying ase/test/emt/test_emt_h3o2m.py -> build/lib/ase/test/emt
copying ase/test/emt/test_emt_stress.py -> build/lib/ase/test/emt
creating build/lib/ase/test/dft
copying ase/test/dft/__init__.py -> build/lib/ase/test/dft
copying ase/test/dft/test_bandgap.py -> build/lib/ase/test/dft
copying ase/test/dft/test_bee.py -> build/lib/ase/test/dft
copying ase/test/dft/test_bz.py -> build/lib/ase/test/dft
copying ase/test/dft/test_dos.py -> build/lib/ase/test/dft
copying ase/test/dft/test_hex.py -> build/lib/ase/test/dft
copying ase/test/dft/test_interpolate.py -> build/lib/ase/test/dft
copying ase/test/dft/test_kpt_density_monkhorst_pack.py -> build/lib/ase/test/dft
copying ase/test/dft/test_kpts_size_offsets.py -> build/lib/ase/test/dft
copying ase/test/dft/test_min_distance_monkhorst_pack.py -> build/lib/ase/test/dft
copying ase/test/dft/test_monoclinic.py -> build/lib/ase/test/dft
creating build/lib/ase/test/db
copying ase/test/db/__init__.py -> build/lib/ase/test/db
copying ase/test/db/conftest.py -> build/lib/ase/test/db
copying ase/test/db/test_cli.py -> build/lib/ase/test/db
copying ase/test/db/test_db.py -> build/lib/ase/test/db
copying ase/test/db/test_db2.py -> build/lib/ase/test/db
copying ase/test/db/test_db_web.py -> build/lib/ase/test/db
copying ase/test/db/test_jsondb.py -> build/lib/ase/test/db
copying ase/test/db/test_metadata.py -> build/lib/ase/test/db
copying ase/test/db/test_mysql.py -> build/lib/ase/test/db
copying ase/test/db/test_o2b2o.py -> build/lib/ase/test/db
copying ase/test/db/test_row.py -> build/lib/ase/test/db
copying ase/test/db/test_sql_db_ext_tables.py -> build/lib/ase/test/db
copying ase/test/db/test_sqlite.py -> build/lib/ase/test/db
copying ase/test/db/test_table.py -> build/lib/ase/test/db
copying ase/test/db/test_update.py -> build/lib/ase/test/db
creating build/lib/ase/test/constraints
copying ase/test/constraints/__init__.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_CO2linear_Au111.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_external_force.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fix_bond_length_mic.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fix_symmetry.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fixatoms.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fixbondlength_CO2_Au111.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fixbonds.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fixcartesian.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fixcom.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fixedline_fixedplane.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fixedmode.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fixinternals.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fixscaled.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fixsubsetcom.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_getindices.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_hookean.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_hookean_pbc.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_mirror.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_negativeindex.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_parameteric_constr.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_repeat_FixAtoms.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_setpos.py -> build/lib/ase/test/constraints
creating build/lib/ase/test/cli
copying ase/test/cli/__init__.py -> build/lib/ase/test/cli
copying ase/test/cli/test_ag.py -> build/lib/ase/test/cli
copying ase/test/cli/test_bandstructure.py -> build/lib/ase/test/cli
copying ase/test/cli/test_bzplot.py -> build/lib/ase/test/cli
copying ase/test/cli/test_complete.py -> build/lib/ase/test/cli
copying ase/test/cli/test_convert.py -> build/lib/ase/test/cli
copying ase/test/cli/test_diff.py -> build/lib/ase/test/cli
copying ase/test/cli/test_dimensionality.py -> build/lib/ase/test/cli
copying ase/test/cli/test_exec.py -> build/lib/ase/test/cli
copying ase/test/cli/test_imports.py -> build/lib/ase/test/cli
copying ase/test/cli/test_info.py -> build/lib/ase/test/cli
copying ase/test/cli/test_run.py -> build/lib/ase/test/cli
creating build/lib/ase/test/cell
copying ase/test/cell/__init__.py -> build/lib/ase/test/cell
copying ase/test/cell/test_cell.py -> build/lib/ase/test/cell
copying ase/test/cell/test_cell_completion.py -> build/lib/ase/test/cell
copying ase/test/cell/test_cell_conv.py -> build/lib/ase/test/cell
copying ase/test/cell/test_cell_uncompletion.py -> build/lib/ase/test/cell
copying ase/test/cell/test_conventional_map.py -> build/lib/ase/test/cell
copying ase/test/cell/test_minkowski_reduce.py -> build/lib/ase/test/cell
copying ase/test/cell/test_niggli.py -> build/lib/ase/test/cell
copying ase/test/cell/test_niggli_ndim.py -> build/lib/ase/test/cell
copying ase/test/cell/test_niggli_op.py -> build/lib/ase/test/cell
copying ase/test/cell/test_standard_form.py -> build/lib/ase/test/cell
copying ase/test/cell/test_supercell.py -> build/lib/ase/test/cell
creating build/lib/ase/test/calculator
copying ase/test/calculator/__init__.py -> build/lib/ase/test/calculator
copying ase/test/calculator/conftest.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_al.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_bond_polarizability.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_calculator.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_ch4_energy.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_command.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_dftd3.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_eam.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_eam_run.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_gulp.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_gulp_opt.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_h2.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_h2_bond_force.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_h2morse.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_harmonic.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_lj.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_mopac.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_morse.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_orca.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_orca_qmmm.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_polarizability.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_si_stress.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_subprocess_calculator.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_traj.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_ts09.py -> build/lib/ase/test/calculator
creating build/lib/ase/test/build_
copying ase/test/build_/__init__.py -> build/lib/ase/test/build_
copying ase/test/build_/test_attach.py -> build/lib/ase/test/build_
copying ase/test/build_/test_build_bulk.py -> build/lib/ase/test/build_
copying ase/test/build_/test_bulk.py -> build/lib/ase/test/build_
copying ase/test/build_/test_connected.py -> build/lib/ase/test/build_
copying ase/test/build_/test_minimize_rotation_and_translation.py -> build/lib/ase/test/build_
copying ase/test/build_/test_supercells.py -> build/lib/ase/test/build_
copying ase/test/build_/test_surface.py -> build/lib/ase/test/build_
copying ase/test/build_/test_surface_stack.py -> build/lib/ase/test/build_
copying ase/test/build_/test_surface_terminations.py -> build/lib/ase/test/build_
creating build/lib/ase/test/bravais
copying ase/test/bravais/__init__.py -> build/lib/ase/test/bravais
copying ase/test/bravais/test_2d_cell_pbc.py -> build/lib/ase/test/bravais
copying ase/test/bravais/test_bravais_type_engine.py -> build/lib/ase/test/bravais
copying ase/test/bravais/test_eps.py -> build/lib/ase/test/bravais
copying ase/test/bravais/test_hex.py -> build/lib/ase/test/bravais
copying ase/test/bravais/test_lattices.py -> build/lib/ase/test/bravais
copying ase/test/bravais/test_line_lattice.py -> build/lib/ase/test/bravais
copying ase/test/bravais/test_main.py -> build/lib/ase/test/bravais
copying ase/test/bravais/test_orcc_mcl.py -> build/lib/ase/test/bravais
copying ase/test/bravais/test_reduce.py -> build/lib/ase/test/bravais
copying ase/test/bravais/test_standard_form.py -> build/lib/ase/test/bravais
creating build/lib/ase/test/bandstructure
copying ase/test/bandstructure/__init__.py -> build/lib/ase/test/bandstructure
copying ase/test/bandstructure/test_bandpath.py -> build/lib/ase/test/bandstructure
copying ase/test/bandstructure/test_bandstructure.py -> build/lib/ase/test/bandstructure
copying ase/test/bandstructure/test_bandstructure_json.py -> build/lib/ase/test/bandstructure
copying ase/test/bandstructure/test_bandstructure_many.py -> build/lib/ase/test/bandstructure
copying ase/test/bandstructure/test_bandstructure_transform_mcl.py -> build/lib/ase/test/bandstructure
copying ase/test/bandstructure/test_resolve_custom_kpoints.py -> build/lib/ase/test/bandstructure
creating build/lib/ase/test/atoms
copying ase/test/atoms/__init__.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atom.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atom_scaled_pos.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms_angle.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms_distance.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms_formula.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms_get_duplicates.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms_get_positions.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms_getitem.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms_indices.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms_info_copy.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms_instantiation.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_build.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_center.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_center_nonperiodic.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_compare_atoms.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_deprecated_get_set.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_get_angles.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_h2.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_mic.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_momenta_velocities.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_permute_axes.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_rotate.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_rotate_euler.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_scaled_positions.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_set_get_angle.py -> build/lib/ase/test/atoms
creating build/lib/ase/test/fio/vasp
copying ase/test/fio/vasp/test_incar_writer.py -> build/lib/ase/test/fio/vasp
copying ase/test/fio/vasp/test_poscar.py -> build/lib/ase/test/fio/vasp
copying ase/test/fio/vasp/test_read_vasp_xml.py -> build/lib/ase/test/fio/vasp
copying ase/test/fio/vasp/test_vasp_out.py -> build/lib/ase/test/fio/vasp
copying ase/test/fio/vasp/test_vasp_outcar_parsers.py -> build/lib/ase/test/fio/vasp
copying ase/test/fio/vasp/test_vasp_poscar.py -> build/lib/ase/test/fio/vasp
creating build/lib/ase/test/fio/exciting
copying ase/test/fio/exciting/__init__.py -> build/lib/ase/test/fio/exciting
copying ase/test/fio/exciting/test_exciting.py -> build/lib/ase/test/fio/exciting
creating build/lib/ase/test/fio/castep
copying ase/test/fio/castep/test_castep_reader.py -> build/lib/ase/test/fio/castep
copying ase/test/fio/castep/test_read_bands.py -> build/lib/ase/test/fio/castep
creating build/lib/ase/test/fio/aims
copying ase/test/fio/aims/test_aims_out.py -> build/lib/ase/test/fio/aims
copying ase/test/fio/aims/test_aims_out_chunks.py -> build/lib/ase/test/fio/aims
copying ase/test/fio/aims/test_geometry.py -> build/lib/ase/test/fio/aims
copying ase/test/fio/aims/test_write_control.py -> build/lib/ase/test/fio/aims
creating build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/__init__.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/conftest.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/filecmp_ignore_whitespace.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_Al_volrelax.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_calculator.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_charge.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_check_state.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_co.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_converge.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_freq.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_get_dos.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_incar.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_input.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_kpoints.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_potcar.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_setup.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_wdir.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_vasp_xml.py -> build/lib/ase/test/calculator/vasp
copying ase/test/calculator/vasp/test_version.py -> build/lib/ase/test/calculator/vasp
creating build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/__init__.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_2h2o.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_H2.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_au13.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_calculator.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_h2o.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_h3o2m.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_optimizer.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_parameters.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_qmmm.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_reader.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_statpt.py -> build/lib/ase/test/calculator/turbomole
creating build/lib/ase/test/calculator/socketio
copying ase/test/calculator/socketio/test_h2_stiffness.py -> build/lib/ase/test/calculator/socketio
copying ase/test/calculator/socketio/test_integration.py -> build/lib/ase/test/calculator/socketio
copying ase/test/calculator/socketio/test_ipi_protocol_bfgs.py -> build/lib/ase/test/calculator/socketio
copying ase/test/calculator/socketio/test_python_interface.py -> build/lib/ase/test/calculator/socketio
copying ase/test/calculator/socketio/test_socket_io_mpi_line.py -> build/lib/ase/test/calculator/socketio
creating build/lib/ase/test/calculator/siesta
copying ase/test/calculator/siesta/__init__.py -> build/lib/ase/test/calculator/siesta
copying ase/test/calculator/siesta/test_bandstructure.py -> build/lib/ase/test/calculator/siesta
copying ase/test/calculator/siesta/test_dos.py -> build/lib/ase/test/calculator/siesta
copying ase/test/calculator/siesta/test_fdf_io.py -> build/lib/ase/test/calculator/siesta
copying ase/test/calculator/siesta/test_siesta_read_eigenvalues.py -> build/lib/ase/test/calculator/siesta
copying ase/test/calculator/siesta/test_siesta_version.py -> build/lib/ase/test/calculator/siesta
copying ase/test/calculator/siesta/test_siesta_zmat.py -> build/lib/ase/test/calculator/siesta
copying ase/test/calculator/siesta/test_write_input.py -> build/lib/ase/test/calculator/siesta
creating build/lib/ase/test/calculator/qchem
copying ase/test/calculator/qchem/__init__.py -> build/lib/ase/test/calculator/qchem
copying ase/test/calculator/qchem/test_qchem_calculator.py -> build/lib/ase/test/calculator/qchem
creating build/lib/ase/test/calculator/psi4
copying ase/test/calculator/psi4/test_psi4_HF_3_21G.py -> build/lib/ase/test/calculator/psi4
creating build/lib/ase/test/calculator/plumed
copying ase/test/calculator/plumed/__init__.py -> build/lib/ase/test/calculator/plumed
copying ase/test/calculator/plumed/test_plumed.py -> build/lib/ase/test/calculator/plumed
creating build/lib/ase/test/calculator/openmx
copying ase/test/calculator/openmx/test_md.py -> build/lib/ase/test/calculator/openmx
copying ase/test/calculator/openmx/test_version.py -> build/lib/ase/test/calculator/openmx
creating build/lib/ase/test/calculator/onetep
copying ase/test/calculator/onetep/__init__.py -> build/lib/ase/test/calculator/onetep
copying ase/test/calculator/onetep/test_onetep.py -> build/lib/ase/test/calculator/onetep
creating build/lib/ase/test/calculator/octopus
copying ase/test/calculator/octopus/__init__.py -> build/lib/ase/test/calculator/octopus
copying ase/test/calculator/octopus/test_big.py -> build/lib/ase/test/calculator/octopus
creating build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/__init__.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_bands.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_cmdline.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_eigenvalues.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_h3o2m.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_multitask.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_parser.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_runmany.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_stress.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_version.py -> build/lib/ase/test/calculator/nwchem
creating build/lib/ase/test/calculator/lammpsrun
copying ase/test/calculator/lammpsrun/__init__.py -> build/lib/ase/test/calculator/lammpsrun
copying ase/test/calculator/lammpsrun/test_Ar_minimize.py -> build/lib/ase/test/calculator/lammpsrun
copying ase/test/calculator/lammpsrun/test_NaCl_minimize.py -> build/lib/ase/test/calculator/lammpsrun
copying ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py -> build/lib/ase/test/calculator/lammpsrun
copying ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py -> build/lib/ase/test/calculator/lammpsrun
copying ase/test/calculator/lammpsrun/test_lammps_units.py -> build/lib/ase/test/calculator/lammpsrun
copying ase/test/calculator/lammpsrun/test_no_data_file_wrap.py -> build/lib/ase/test/calculator/lammpsrun
creating build/lib/ase/test/calculator/lammpslib
copying ase/test/calculator/lammpslib/__init__.py -> build/lib/ase/test/calculator/lammpslib
copying ase/test/calculator/lammpslib/conftest.py -> build/lib/ase/test/calculator/lammpslib
copying ase/test/calculator/lammpslib/test_Pt_stress_cellopt.py -> build/lib/ase/test/calculator/lammpslib
copying ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py -> build/lib/ase/test/calculator/lammpslib
copying ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py -> build/lib/ase/test/calculator/lammpslib
copying ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py -> build/lib/ase/test/calculator/lammpslib
copying ase/test/calculator/lammpslib/test_lammpslib_simple.py -> build/lib/ase/test/calculator/lammpslib
copying ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py -> build/lib/ase/test/calculator/lammpslib
creating build/lib/ase/test/calculator/lammps
copying ase/test/calculator/lammps/test_prism.py -> build/lib/ase/test/calculator/lammps
creating build/lib/ase/test/calculator/kim
copying ase/test/calculator/kim/__init__.py -> build/lib/ase/test/calculator/kim
copying ase/test/calculator/kim/test_cutoff_skin.py -> build/lib/ase/test/calculator/kim
copying ase/test/calculator/kim/test_energy_forces_stress.py -> build/lib/ase/test/calculator/kim
copying ase/test/calculator/kim/test_modify_parameters.py -> build/lib/ase/test/calculator/kim
copying ase/test/calculator/kim/test_multi_neighlist.py -> build/lib/ase/test/calculator/kim
copying ase/test/calculator/kim/test_relax.py -> build/lib/ase/test/calculator/kim
copying ase/test/calculator/kim/test_single_atom.py -> build/lib/ase/test/calculator/kim
copying ase/test/calculator/kim/test_update_coords.py -> build/lib/ase/test/calculator/kim
copying ase/test/calculator/kim/test_update_neighbor_parameters.py -> build/lib/ase/test/calculator/kim
creating build/lib/ase/test/calculator/gromacs
copying ase/test/calculator/gromacs/__init__.py -> build/lib/ase/test/calculator/gromacs
copying ase/test/calculator/gromacs/test_gromacs.py -> build/lib/ase/test/calculator/gromacs
creating build/lib/ase/test/calculator/gpaw_
copying ase/test/calculator/gpaw_/__init__.py -> build/lib/ase/test/calculator/gpaw_
copying ase/test/calculator/gpaw_/test_no_spin_and_spin.py -> build/lib/ase/test/calculator/gpaw_
copying ase/test/calculator/gpaw_/test_read_text_output.py -> build/lib/ase/test/calculator/gpaw_
copying ase/test/calculator/gpaw_/test_wannier.py -> build/lib/ase/test/calculator/gpaw_
creating build/lib/ase/test/calculator/gaussian
copying ase/test/calculator/gaussian/__init__.py -> build/lib/ase/test/calculator/gaussian
copying ase/test/calculator/gaussian/test_h2of.py -> build/lib/ase/test/calculator/gaussian
copying ase/test/calculator/gaussian/test_optimizer_irc.py -> build/lib/ase/test/calculator/gaussian
copying ase/test/calculator/gaussian/test_water.py -> build/lib/ase/test/calculator/gaussian
creating build/lib/ase/test/calculator/gamess_us
copying ase/test/calculator/gamess_us/test_basis_ecp.py -> build/lib/ase/test/calculator/gamess_us
copying ase/test/calculator/gamess_us/test_gamess_us.py -> build/lib/ase/test/calculator/gamess_us
creating build/lib/ase/test/calculator/exciting
copying ase/test/calculator/exciting/__init__.py -> build/lib/ase/test/calculator/exciting
copying ase/test/calculator/exciting/conftest.py -> build/lib/ase/test/calculator/exciting
copying ase/test/calculator/exciting/test_exciting.py -> build/lib/ase/test/calculator/exciting
copying ase/test/calculator/exciting/test_runner.py -> build/lib/ase/test/calculator/exciting
creating build/lib/ase/test/calculator/espresso
copying ase/test/calculator/espresso/__init__.py -> build/lib/ase/test/calculator/espresso
copying ase/test/calculator/espresso/test_espresso.py -> build/lib/ase/test/calculator/espresso
creating build/lib/ase/test/calculator/elk
copying ase/test/calculator/elk/__init__.py -> build/lib/ase/test/calculator/elk
copying ase/test/calculator/elk/test_elk.py -> build/lib/ase/test/calculator/elk
creating build/lib/ase/test/calculator/dmol
copying ase/test/calculator/dmol/__init__.py -> build/lib/ase/test/calculator/dmol
copying ase/test/calculator/dmol/test_Al_dmol.py -> build/lib/ase/test/calculator/dmol
copying ase/test/calculator/dmol/test_water_dmol.py -> build/lib/ase/test/calculator/dmol
creating build/lib/ase/test/calculator/dftb
copying ase/test/calculator/dftb/__init__.py -> build/lib/ase/test/calculator/dftb
copying ase/test/calculator/dftb/test_dftb_bandstructure.py -> build/lib/ase/test/calculator/dftb
copying ase/test/calculator/dftb/test_dftb_relax_bulk.py -> build/lib/ase/test/calculator/dftb
copying ase/test/calculator/dftb/test_dftb_relax_dimer.py -> build/lib/ase/test/calculator/dftb
copying ase/test/calculator/dftb/test_dftb_relax_surface.py -> build/lib/ase/test/calculator/dftb
copying ase/test/calculator/dftb/test_dipole.py -> build/lib/ase/test/calculator/dftb
copying ase/test/calculator/dftb/test_xtb_static.py -> build/lib/ase/test/calculator/dftb
creating build/lib/ase/test/calculator/demonnano
copying ase/test/calculator/demonnano/test_h2o.py -> build/lib/ase/test/calculator/demonnano
creating build/lib/ase/test/calculator/demon
copying ase/test/calculator/demon/__init__.py -> build/lib/ase/test/calculator/demon
copying ase/test/calculator/demon/test_h2o.py -> build/lib/ase/test/calculator/demon
copying ase/test/calculator/demon/test_h2o_xas_xes.py -> build/lib/ase/test/calculator/demon
creating build/lib/ase/test/calculator/crystal
copying ase/test/calculator/crystal/__init__.py -> build/lib/ase/test/calculator/crystal
copying ase/test/calculator/crystal/test_bulk.py -> build/lib/ase/test/calculator/crystal
copying ase/test/calculator/crystal/test_graphene.py -> build/lib/ase/test/calculator/crystal
copying ase/test/calculator/crystal/test_molecule.py -> build/lib/ase/test/calculator/crystal
creating build/lib/ase/test/calculator/cp2k
copying ase/test/calculator/cp2k/__init__.py -> build/lib/ase/test/calculator/cp2k
copying ase/test/calculator/cp2k/test_cp2k_H2_None.py -> build/lib/ase/test/calculator/cp2k
copying ase/test/calculator/cp2k/test_cp2k_dcd.py -> build/lib/ase/test/calculator/cp2k
copying ase/test/calculator/cp2k/test_cp2k_many.py -> build/lib/ase/test/calculator/cp2k
copying ase/test/calculator/cp2k/test_cp2k_restart.py -> build/lib/ase/test/calculator/cp2k
copying ase/test/calculator/cp2k/test_cp2k_stress.py -> build/lib/ase/test/calculator/cp2k
creating build/lib/ase/test/calculator/castep
copying ase/test/calculator/castep/__init__.py -> build/lib/ase/test/calculator/castep
copying ase/test/calculator/castep/test_castep_interface.py -> build/lib/ase/test/calculator/castep
creating build/lib/ase/test/calculator/amber
copying ase/test/calculator/amber/__init__.py -> build/lib/ase/test/calculator/amber
copying ase/test/calculator/amber/test_amber.py -> build/lib/ase/test/calculator/amber
creating build/lib/ase/test/calculator/aims
copying ase/test/calculator/aims/__init__.py -> build/lib/ase/test/calculator/aims
copying ase/test/calculator/aims/test_H2O_aims.py -> build/lib/ase/test/calculator/aims
copying ase/test/calculator/aims/test_aims_interface.py -> build/lib/ase/test/calculator/aims
copying ase/test/calculator/aims/test_version.py -> build/lib/ase/test/calculator/aims
creating build/lib/ase/test/calculator/ace
copying ase/test/calculator/ace/test_ace.py -> build/lib/ase/test/calculator/ace
copying ase/test/calculator/ace/test_ace_calculator.py -> build/lib/ase/test/calculator/ace
creating build/lib/ase/test/calculator/abinit
copying ase/test/calculator/abinit/__init__.py -> build/lib/ase/test/calculator/abinit
copying ase/test/calculator/abinit/test_abinit_cmdline.py -> build/lib/ase/test/calculator/abinit
copying ase/test/calculator/abinit/test_main.py -> build/lib/ase/test/calculator/abinit
creating build/lib/ase/test/calculator/siesta/test_scripts
copying ase/test/calculator/siesta/test_scripts/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts
creating build/lib/ase/test/calculator/siesta/lrtddft
copying ase/test/calculator/siesta/lrtddft/__init__.py -> build/lib/ase/test/calculator/siesta/lrtddft
copying ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py -> build/lib/ase/test/calculator/siesta/lrtddft
copying ase/test/calculator/siesta/lrtddft/test_siesta_raman.py -> build/lib/ase/test/calculator/siesta/lrtddft
creating build/lib/ase/test/calculator/siesta/test_scripts/Si
copying ase/test/calculator/siesta/test_scripts/Si/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts/Si
copying ase/test/calculator/siesta/test_scripts/Si/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/Si
creating build/lib/ase/test/calculator/siesta/test_scripts/Na8
copying ase/test/calculator/siesta/test_scripts/Na8/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts/Na8
copying ase/test/calculator/siesta/test_scripts/Na8/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/Na8
creating build/lib/ase/test/calculator/siesta/test_scripts/H2
copying ase/test/calculator/siesta/test_scripts/H2/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts/H2
copying ase/test/calculator/siesta/test_scripts/H2/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/H2
creating build/lib/ase/test/calculator/siesta/test_scripts/Charge
copying ase/test/calculator/siesta/test_scripts/Charge/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/Charge
creating build/lib/ase/test/calculator/siesta/test_scripts/CH4
copying ase/test/calculator/siesta/test_scripts/CH4/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts/CH4
copying ase/test/calculator/siesta/test_scripts/CH4/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/CH4
creating build/lib/ase/optimize/test
copying ase/optimize/test/__init__.py -> build/lib/ase/optimize/test
copying ase/optimize/test/analyze.py -> build/lib/ase/optimize/test
copying ase/optimize/test/generate_rst.py -> build/lib/ase/optimize/test
copying ase/optimize/test/neb.py -> build/lib/ase/optimize/test
copying ase/optimize/test/systems.py -> build/lib/ase/optimize/test
copying ase/optimize/test/test.py -> build/lib/ase/optimize/test
creating build/lib/ase/optimize/precon
copying ase/optimize/precon/__init__.py -> build/lib/ase/optimize/precon
copying ase/optimize/precon/fire.py -> build/lib/ase/optimize/precon
copying ase/optimize/precon/lbfgs.py -> build/lib/ase/optimize/precon
copying ase/optimize/precon/neighbors.py -> build/lib/ase/optimize/precon
copying ase/optimize/precon/precon.py -> build/lib/ase/optimize/precon
creating build/lib/ase/optimize/gpmin
copying ase/optimize/gpmin/__init__.py -> build/lib/ase/optimize/gpmin
copying ase/optimize/gpmin/gp.py -> build/lib/ase/optimize/gpmin
copying ase/optimize/gpmin/gpmin.py -> build/lib/ase/optimize/gpmin
copying ase/optimize/gpmin/kernel.py -> build/lib/ase/optimize/gpmin
copying ase/optimize/gpmin/prior.py -> build/lib/ase/optimize/gpmin
creating build/lib/ase/io/vasp_parsers
copying ase/io/vasp_parsers/__init__.py -> build/lib/ase/io/vasp_parsers
copying ase/io/vasp_parsers/incar_writer.py -> build/lib/ase/io/vasp_parsers
copying ase/io/vasp_parsers/vasp_outcar_parsers.py -> build/lib/ase/io/vasp_parsers
creating build/lib/ase/io/octopus
copying ase/io/octopus/__init__.py -> build/lib/ase/io/octopus
copying ase/io/octopus/input.py -> build/lib/ase/io/octopus
copying ase/io/octopus/output.py -> build/lib/ase/io/octopus
creating build/lib/ase/io/nwchem
copying ase/io/nwchem/__init__.py -> build/lib/ase/io/nwchem
copying ase/io/nwchem/nwreader.py -> build/lib/ase/io/nwchem
copying ase/io/nwchem/nwreader_in.py -> build/lib/ase/io/nwchem
copying ase/io/nwchem/nwwriter.py -> build/lib/ase/io/nwchem
copying ase/io/nwchem/parser.py -> build/lib/ase/io/nwchem
creating build/lib/ase/io/espresso_namelist
copying ase/io/espresso_namelist/__init__.py -> build/lib/ase/io/espresso_namelist
copying ase/io/espresso_namelist/keys.py -> build/lib/ase/io/espresso_namelist
copying ase/io/espresso_namelist/namelist.py -> build/lib/ase/io/espresso_namelist
creating build/lib/ase/io/castep
copying ase/io/castep/__init__.py -> build/lib/ase/io/castep
copying ase/io/castep/castep_input_file.py -> build/lib/ase/io/castep
copying ase/io/castep/castep_reader.py -> build/lib/ase/io/castep
creating build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/__init__.py -> build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/bond_generator.py -> build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/disjoint_set.py -> build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/interval_analysis.py -> build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/isolation.py -> build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/rank_determination.py -> build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/topology_scaling.py -> build/lib/ase/geometry/dimensionality
creating build/lib/ase/calculators/vasp
copying ase/calculators/vasp/__init__.py -> build/lib/ase/calculators/vasp
copying ase/calculators/vasp/create_input.py -> build/lib/ase/calculators/vasp
copying ase/calculators/vasp/interactive.py -> build/lib/ase/calculators/vasp
copying ase/calculators/vasp/setups.py -> build/lib/ase/calculators/vasp
copying ase/calculators/vasp/vasp.py -> build/lib/ase/calculators/vasp
copying ase/calculators/vasp/vasp2.py -> build/lib/ase/calculators/vasp
copying ase/calculators/vasp/vasp_auxiliary.py -> build/lib/ase/calculators/vasp
copying ase/calculators/vasp/vasp_data.py -> build/lib/ase/calculators/vasp
creating build/lib/ase/calculators/turbomole
copying ase/calculators/turbomole/__init__.py -> build/lib/ase/calculators/turbomole
copying ase/calculators/turbomole/executor.py -> build/lib/ase/calculators/turbomole
copying ase/calculators/turbomole/parameters.py -> build/lib/ase/calculators/turbomole
copying ase/calculators/turbomole/reader.py -> build/lib/ase/calculators/turbomole
copying ase/calculators/turbomole/turbomole.py -> build/lib/ase/calculators/turbomole
copying ase/calculators/turbomole/writer.py -> build/lib/ase/calculators/turbomole
creating build/lib/ase/calculators/siesta
copying ase/calculators/siesta/__init__.py -> build/lib/ase/calculators/siesta
copying ase/calculators/siesta/import_ion_xml.py -> build/lib/ase/calculators/siesta
copying ase/calculators/siesta/parameters.py -> build/lib/ase/calculators/siesta
copying ase/calculators/siesta/siesta.py -> build/lib/ase/calculators/siesta
copying ase/calculators/siesta/siesta_lrtddft.py -> build/lib/ase/calculators/siesta
creating build/lib/ase/calculators/openmx
copying ase/calculators/openmx/__init__.py -> build/lib/ase/calculators/openmx
copying ase/calculators/openmx/default_settings.py -> build/lib/ase/calculators/openmx
copying ase/calculators/openmx/dos.py -> build/lib/ase/calculators/openmx
copying ase/calculators/openmx/openmx.py -> build/lib/ase/calculators/openmx
copying ase/calculators/openmx/parameters.py -> build/lib/ase/calculators/openmx
copying ase/calculators/openmx/reader.py -> build/lib/ase/calculators/openmx
copying ase/calculators/openmx/writer.py -> build/lib/ase/calculators/openmx
creating build/lib/ase/calculators/lammps
copying ase/calculators/lammps/__init__.py -> build/lib/ase/calculators/lammps
copying ase/calculators/lammps/coordinatetransform.py -> build/lib/ase/calculators/lammps
copying ase/calculators/lammps/inputwriter.py -> build/lib/ase/calculators/lammps
copying ase/calculators/lammps/unitconvert.py -> build/lib/ase/calculators/lammps
copying ase/calculators/lammps/unitconvert_constants.py -> build/lib/ase/calculators/lammps
creating build/lib/ase/calculators/kim
copying ase/calculators/kim/__init__.py -> build/lib/ase/calculators/kim
copying ase/calculators/kim/calculators.py -> build/lib/ase/calculators/kim
copying ase/calculators/kim/exceptions.py -> build/lib/ase/calculators/kim
copying ase/calculators/kim/kim.py -> build/lib/ase/calculators/kim
copying ase/calculators/kim/kimmodel.py -> build/lib/ase/calculators/kim
copying ase/calculators/kim/kimpy_wrappers.py -> build/lib/ase/calculators/kim
copying ase/calculators/kim/neighborlist.py -> build/lib/ase/calculators/kim
creating build/lib/ase/calculators/exciting
copying ase/calculators/exciting/__init__.py -> build/lib/ase/calculators/exciting
copying ase/calculators/exciting/exciting.py -> build/lib/ase/calculators/exciting
copying ase/calculators/exciting/runner.py -> build/lib/ase/calculators/exciting
creating build/lib/ase/calculators/demon
copying ase/calculators/demon/__init__.py -> build/lib/ase/calculators/demon
copying ase/calculators/demon/demon.py -> build/lib/ase/calculators/demon
copying ase/calculators/demon/demon_io.py -> build/lib/ase/calculators/demon
running egg_info
creating ase.egg-info
writing ase.egg-info/PKG-INFO
writing dependency_links to ase.egg-info/dependency_links.txt
writing entry points to ase.egg-info/entry_points.txt
writing requirements to ase.egg-info/requires.txt
writing top-level names to ase.egg-info/top_level.txt
writing manifest file 'ase.egg-info/SOURCES.txt'
reading manifest file 'ase.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
adding license file 'COPYING'
adding license file 'COPYING.LESSER'
writing manifest file 'ase.egg-info/SOURCES.txt'
copying ase/py.typed -> build/lib/ase
copying ase/spacegroup/spacegroup.dat -> build/lib/ase/spacegroup
copying ase/collections/s22.json -> build/lib/ase/collections
copying ase/collections/g2.json -> build/lib/ase/collections
copying ase/collections/dcdft.json -> build/lib/ase/collections
creating build/lib/ase/db/templates
copying ase/db/templates/table.html -> build/lib/ase/db/templates
copying ase/db/templates/style.html -> build/lib/ase/db/templates
copying ase/db/templates/search.html -> build/lib/ase/db/templates
copying ase/db/templates/row.html -> build/lib/ase/db/templates
copying ase/db/templates/layout.html -> build/lib/ase/db/templates
copying ase/db/templates/js.html -> build/lib/ase/db/templates
creating build/lib/ase/db/static
copying ase/db/static/style.css -> build/lib/ase/db/static
copying ase/db/static/search.js -> build/lib/ase/db/static
copying ase/db/static/row.js -> build/lib/ase/db/static
copying ase/test/pytest.ini -> build/lib/ase/test
creating build/lib/ase/test/testdata
creating build/lib/ase/test/testdata/vasp
copying ase/test/testdata/vasp/vasprun_dfpt.xml -> build/lib/ase/test/testdata/vasp
copying ase/test/testdata/vasp/convergence_OUTCAR_y_y -> build/lib/ase/test/testdata/vasp
copying ase/test/testdata/vasp/convergence_OUTCAR_y_n -> build/lib/ase/test/testdata/vasp
copying ase/test/testdata/vasp/convergence_OUTCAR_n_y -> build/lib/ase/test/testdata/vasp
copying ase/test/testdata/vasp/POSCAR_example_1 -> build/lib/ase/test/testdata/vasp
copying ase/test/testdata/vasp/OUTCAR_example_1 -> build/lib/ase/test/testdata/vasp
creating build/lib/ase/test/testdata/siesta
copying ase/test/testdata/siesta/siesta.EIG -> build/lib/ase/test/testdata/siesta
copying ase/test/testdata/rotated_bz.png -> build/lib/ase/test/testdata
copying ase/test/testdata/qbox_test.xml -> build/lib/ase/test/testdata
copying ase/test/testdata/qbox_04_md_ntc.reference.xml -> build/lib/ase/test/testdata
copying ase/test/testdata/opls_structure_ext.xyz -> build/lib/ase/test/testdata
copying ase/test/testdata/onetep_include_nested.dat -> build/lib/ase/test/testdata
copying ase/test/testdata/onetep_include.dat -> build/lib/ase/test/testdata
creating build/lib/ase/test/testdata/nwchem
copying ase/test/testdata/nwchem/snippet_multipole_7.0.2-intel.nwo -> build/lib/ase/test/testdata/nwchem
copying ase/test/testdata/nwchem/snippet_multipole_7.0.2-gcc.nwo -> build/lib/ase/test/testdata/nwchem
copying ase/test/testdata/nomad-images.nomad-json -> build/lib/ase/test/testdata
creating build/lib/ase/test/testdata/minerals
copying ase/test/testdata/minerals/cod_9017338.cif -> build/lib/ase/test/testdata/minerals
copying ase/test/testdata/minerals/cod_9007661.cif -> build/lib/ase/test/testdata/minerals
copying ase/test/testdata/minerals/cod_9007640.cif -> build/lib/ase/test/testdata/minerals
copying ase/test/testdata/minerals/cod_9004218.cif -> build/lib/ase/test/testdata/minerals
copying ase/test/testdata/minerals/cod_9004112.cif -> build/lib/ase/test/testdata/minerals
copying ase/test/testdata/minerals/cod_9001665.cif -> build/lib/ase/test/testdata/minerals
copying ase/test/testdata/minerals/cod_1010995.cif -> build/lib/ase/test/testdata/minerals
copying ase/test/testdata/minerals/cod_1010930.cif -> build/lib/ase/test/testdata/minerals
copying ase/test/testdata/large_atoms.magres -> build/lib/ase/test/testdata
copying ase/test/testdata/lammpslib_simple_input.data -> build/lib/ase/test/testdata
copying ase/test/testdata/lammpsdata_input.data -> build/lib/ase/test/testdata
creating build/lib/ase/test/testdata/io
creating build/lib/ase/test/testdata/io/eon
copying ase/test/testdata/io/eon/single.con -> build/lib/ase/test/testdata/io/eon
copying ase/test/testdata/io/eon/multi.con -> build/lib/ase/test/testdata/io/eon
copying ase/test/testdata/gpaw_expected_text_output -> build/lib/ase/test/testdata
creating build/lib/ase/test/testdata/aims
copying ase/test/testdata/aims/socket.out -> build/lib/ase/test/testdata/aims
copying ase/test/testdata/aims/singlepoint.out -> build/lib/ase/test/testdata/aims
copying ase/test/testdata/aims/relax.out -> build/lib/ase/test/testdata/aims
copying ase/test/testdata/aims/preamble_fail.out -> build/lib/ase/test/testdata/aims
copying ase/test/testdata/aims/polarization.out -> build/lib/ase/test/testdata/aims
copying ase/test/testdata/aims/numerical_stress.out -> build/lib/ase/test/testdata/aims
copying ase/test/testdata/aims/md.out -> build/lib/ase/test/testdata/aims
copying ase/test/testdata/aims/issue_3345_spin_md_light.out -> build/lib/ase/test/testdata/aims
copying ase/test/testdata/aims/DFPT_dielectric.out -> build/lib/ase/test/testdata/aims
copying ase/test/testdata/README.md -> build/lib/ase/test/testdata
copying ase/test/testdata/172_defs.par -> build/lib/ase/test/testdata
creating build/lib/ase/gui/po
copying ase/gui/po/Makefile -> build/lib/ase/gui/po
creating build/lib/ase/gui/po/zh_CN
creating build/lib/ase/gui/po/zh_CN/LC_MESSAGES
copying ase/gui/po/zh_CN/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/zh_CN/LC_MESSAGES
creating build/lib/ase/gui/po/sv
creating build/lib/ase/gui/po/sv/LC_MESSAGES
copying ase/gui/po/sv/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/sv/LC_MESSAGES
creating build/lib/ase/gui/po/ru
creating build/lib/ase/gui/po/ru/LC_MESSAGES
copying ase/gui/po/ru/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/ru/LC_MESSAGES
creating build/lib/ase/gui/po/gl
creating build/lib/ase/gui/po/gl/LC_MESSAGES
copying ase/gui/po/gl/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/gl/LC_MESSAGES
creating build/lib/ase/gui/po/fr
creating build/lib/ase/gui/po/fr/LC_MESSAGES
copying ase/gui/po/fr/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/fr/LC_MESSAGES
creating build/lib/ase/gui/po/fi
creating build/lib/ase/gui/po/fi/LC_MESSAGES
copying ase/gui/po/fi/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/fi/LC_MESSAGES
creating build/lib/ase/gui/po/eu
creating build/lib/ase/gui/po/eu/LC_MESSAGES
copying ase/gui/po/eu/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/eu/LC_MESSAGES
creating build/lib/ase/gui/po/es
creating build/lib/ase/gui/po/es/LC_MESSAGES
copying ase/gui/po/es/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/es/LC_MESSAGES
creating build/lib/ase/gui/po/en_GB
creating build/lib/ase/gui/po/en_GB/LC_MESSAGES
copying ase/gui/po/en_GB/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/en_GB/LC_MESSAGES
creating build/lib/ase/gui/po/de
creating build/lib/ase/gui/po/de/LC_MESSAGES
copying ase/gui/po/de/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/de/LC_MESSAGES
creating build/lib/ase/gui/po/da
creating build/lib/ase/gui/po/da/LC_MESSAGES
copying ase/gui/po/da/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/da/LC_MESSAGES
msgfmt (GNU gettext-tools) 0.22.5
Copyright (C) 1995-2023 Free Software Foundation, Inc.
License GPLv3+: GNU GPL version 3 or later <https://gnu.org/licenses/gpl.html>
This is free software: you are free to change and redistribute it.
There is NO WARRANTY, to the extent permitted by law.
Written by Ulrich Drepper.
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357 translated messages, 1 fuzzy translation, 3 untranslated messages.
327 translated messages.
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327 translated messages.
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359 translated messages, 2 untranslated messages.
321 translated messages, 17 fuzzy translations, 32 untranslated messages.
342 translated messages.
327 translated messages.
314 translated messages, 24 fuzzy translations, 32 untranslated messages.

Compile ase/gui/po/da/LC_MESSAGES/ag.po

Compile ase/gui/po/de/LC_MESSAGES/ag.po

Compile ase/gui/po/en_GB/LC_MESSAGES/ag.po

Compile ase/gui/po/es/LC_MESSAGES/ag.po

Compile ase/gui/po/eu/LC_MESSAGES/ag.po

Compile ase/gui/po/fi/LC_MESSAGES/ag.po

Compile ase/gui/po/fr/LC_MESSAGES/ag.po

Compile ase/gui/po/gl/LC_MESSAGES/ag.po

Compile ase/gui/po/ru/LC_MESSAGES/ag.po

Compile ase/gui/po/sv/LC_MESSAGES/ag.po

Compile ase/gui/po/zh_CN/LC_MESSAGES/ag.po
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.XnOqK5
+ umask 022
+ cd /builddir/build/BUILD/python-ase-3.23.0-build
+ '[' /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT '!=' / ']'
+ rm -rf /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT
++ dirname /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT
+ mkdir -p /builddir/build/BUILD/python-ase-3.23.0-build
+ mkdir /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd ase-3.23.0
+ /usr/bin/python3 setup.py install --skip-build --prefix=/usr --optimize=1 --root /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT
running install
/usr/lib/python3.13/site-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated.
!!

        ********************************************************************************
        Please avoid running ``setup.py`` directly.
        Instead, use pypa/build, pypa/installer or other
        standards-based tools.

        Follow the current Python packaging guidelines when building
        Python RPM packages.

        See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html
        and https://docs.fedoraproject.org/en-US/packaging-guidelines/Python/ for details.
        ********************************************************************************

!!
  self.initialize_options()
running install_lib
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/py.typed -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/tube.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/tools.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/surfaces_with_termination.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/surface.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/supercells.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/rotate.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/root.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/ribbon.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/niggli.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/molecule.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/general_surface.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/connected.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/bulk.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/attach.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
copying build/lib/ase/build/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/demon
copying build/lib/ase/calculators/demon/demon_io.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/demon
copying build/lib/ase/calculators/demon/demon.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/demon
copying build/lib/ase/calculators/demon/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/demon
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/exciting
copying build/lib/ase/calculators/exciting/runner.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/exciting
copying build/lib/ase/calculators/exciting/exciting.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/exciting
copying build/lib/ase/calculators/exciting/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/exciting
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/neighborlist.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/kimpy_wrappers.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/kimmodel.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/kim.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/exceptions.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/calculators.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps
copying build/lib/ase/calculators/lammps/unitconvert_constants.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps
copying build/lib/ase/calculators/lammps/unitconvert.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps
copying build/lib/ase/calculators/lammps/inputwriter.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps
copying build/lib/ase/calculators/lammps/coordinatetransform.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps
copying build/lib/ase/calculators/lammps/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/writer.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/reader.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/parameters.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/openmx.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/dos.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/default_settings.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta
copying build/lib/ase/calculators/siesta/siesta_lrtddft.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta
copying build/lib/ase/calculators/siesta/siesta.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta
copying build/lib/ase/calculators/siesta/parameters.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta
copying build/lib/ase/calculators/siesta/import_ion_xml.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta
copying build/lib/ase/calculators/siesta/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole
copying build/lib/ase/calculators/turbomole/writer.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole
copying build/lib/ase/calculators/turbomole/turbomole.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole
copying build/lib/ase/calculators/turbomole/reader.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole
copying build/lib/ase/calculators/turbomole/parameters.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole
copying build/lib/ase/calculators/turbomole/executor.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole
copying build/lib/ase/calculators/turbomole/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/vasp_data.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/vasp_auxiliary.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/vasp2.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/vasp.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/setups.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/interactive.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/create_input.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vdwcorrection.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/tip4p.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/tip3p.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/test.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/subprocesscalculator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/socketio.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/singlepoint.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/qmmm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/qchem.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/psi4.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/polarizability.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/plumed.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/orca.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/onetep.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/octopus.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/nwchem.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/names.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/morse.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/mopac.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/mixing.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/loggingcalc.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/lj.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/lammpsrun.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/lammpslib.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/idealgas.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/harmonic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/h2morse.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/gulp.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/gromacs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/genericfileio.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/gaussian.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/gamess_us.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/fleur.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/ff.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/excitation_list.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/espresso.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/emt.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/elk.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/eam.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/dmol.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/dftd3.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/dftb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/demonnano.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/crystal.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/cp2k.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/counterions.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/combine_mm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/checkpoint.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/castep.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/calculator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/bond_polarizability.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/amber.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/aims.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/acn.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/acemolecule.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/abinit.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/abc.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
copying build/lib/ase/calculators/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/ulm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/template.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/run.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/reciprocal.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/nomadget.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/nomad.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/nebplot.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/main.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/info.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/find.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/exec.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/dimensionality.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/diff.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/db.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/convert.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/completion.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/complete.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/build.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/band_structure.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
copying build/lib/ase/cli/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cli
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
copying build/lib/ase/cluster/wulff.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
copying build/lib/ase/cluster/util.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
copying build/lib/ase/cluster/octahedron.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
copying build/lib/ase/cluster/icosahedron.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
copying build/lib/ase/cluster/hexagonal.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
copying build/lib/ase/cluster/factory.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
copying build/lib/ase/cluster/decahedron.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
copying build/lib/ase/cluster/cubic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
copying build/lib/ase/cluster/compounds.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
copying build/lib/ase/cluster/cluster.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
copying build/lib/ase/cluster/base.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
copying build/lib/ase/cluster/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cluster
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/collections
copying build/lib/ase/collections/dcdft.json -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/collections
copying build/lib/ase/collections/g2.json -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/collections
copying build/lib/ase/collections/s22.json -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/collections
copying build/lib/ase/collections/create.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/collections
copying build/lib/ase/collections/collection.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/collections
copying build/lib/ase/collections/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/collections
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/vdw_alvarez.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/vdw.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/s22.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/pubchem.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/isotopes.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/g2_2.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/g2_1.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/g2.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/extra_molecules.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/dbh24.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/colors.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/cohesive_energies.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/cccbdb_ip.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
copying build/lib/ase/data/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/data
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db/static
copying build/lib/ase/db/static/row.js -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db/static
copying build/lib/ase/db/static/search.js -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db/static
copying build/lib/ase/db/static/style.css -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db/static
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db/templates
copying build/lib/ase/db/templates/js.html -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db/templates
copying build/lib/ase/db/templates/layout.html -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db/templates
copying build/lib/ase/db/templates/row.html -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db/templates
copying build/lib/ase/db/templates/search.html -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db/templates
copying build/lib/ase/db/templates/style.html -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db/templates
copying build/lib/ase/db/templates/table.html -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db/templates
copying build/lib/ase/db/web.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
copying build/lib/ase/db/table.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
copying build/lib/ase/db/sqlite.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
copying build/lib/ase/db/row.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
copying build/lib/ase/db/project.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
copying build/lib/ase/db/postgresql.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
copying build/lib/ase/db/mysql.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
copying build/lib/ase/db/jsondb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
copying build/lib/ase/db/core.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
copying build/lib/ase/db/convert.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
copying build/lib/ase/db/cli.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
copying build/lib/ase/db/app.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
copying build/lib/ase/db/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/db
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/wannierstate.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/wannier.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/stm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/pars_mbeefvdw.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/pars_mbeef.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/pars_beefvdw.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/kpoints.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/dos.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/bz.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/bee.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/bandgap.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/band_structure.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
copying build/lib/ase/dft/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dft
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/utilities.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/startgenerator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/standardmutations.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/standard_comparators.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/soft_mutation.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/slab_operators.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/relax_attaches.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/population.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/pbs_queue_run.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/particle_mutations.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/particle_crossovers.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/particle_comparator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/parallellocalrun.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/ofp_comparator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/offspring_creator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/multiprocessingrun.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/element_mutations.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/element_crossovers.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/data.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/cutandsplicepairing.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/convergence.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/bulk_utilities.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/bulk_startgenerator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/bulk_mutations.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/bulk_crossovers.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
copying build/lib/ase/ga/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/ga
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/topology_scaling.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/rank_determination.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/isolation.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/interval_analysis.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/disjoint_set.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/bond_generator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/rdf.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry
copying build/lib/ase/geometry/minkowski_reduction.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry
copying build/lib/ase/geometry/geometry.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry
copying build/lib/ase/geometry/distance.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry
copying build/lib/ase/geometry/cell.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry
copying build/lib/ase/geometry/bravais_type_engine.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry
copying build/lib/ase/geometry/analysis.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry
copying build/lib/ase/geometry/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/geometry
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/da
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/da/LC_MESSAGES
copying build/lib/ase/gui/po/da/LC_MESSAGES/ag.mo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/da/LC_MESSAGES
copying build/lib/ase/gui/po/da/LC_MESSAGES/ag.po -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/da/LC_MESSAGES
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/de
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/de/LC_MESSAGES
copying build/lib/ase/gui/po/de/LC_MESSAGES/ag.mo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/de/LC_MESSAGES
copying build/lib/ase/gui/po/de/LC_MESSAGES/ag.po -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/de/LC_MESSAGES
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/en_GB
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/en_GB/LC_MESSAGES
copying build/lib/ase/gui/po/en_GB/LC_MESSAGES/ag.mo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/en_GB/LC_MESSAGES
copying build/lib/ase/gui/po/en_GB/LC_MESSAGES/ag.po -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/en_GB/LC_MESSAGES
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/es
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/es/LC_MESSAGES
copying build/lib/ase/gui/po/es/LC_MESSAGES/ag.mo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/es/LC_MESSAGES
copying build/lib/ase/gui/po/es/LC_MESSAGES/ag.po -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/es/LC_MESSAGES
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/eu
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/eu/LC_MESSAGES
copying build/lib/ase/gui/po/eu/LC_MESSAGES/ag.mo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/eu/LC_MESSAGES
copying build/lib/ase/gui/po/eu/LC_MESSAGES/ag.po -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/eu/LC_MESSAGES
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/fi
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/fi/LC_MESSAGES
copying build/lib/ase/gui/po/fi/LC_MESSAGES/ag.mo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/fi/LC_MESSAGES
copying build/lib/ase/gui/po/fi/LC_MESSAGES/ag.po -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/fi/LC_MESSAGES
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/fr
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/fr/LC_MESSAGES
copying build/lib/ase/gui/po/fr/LC_MESSAGES/ag.mo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/fr/LC_MESSAGES
copying build/lib/ase/gui/po/fr/LC_MESSAGES/ag.po -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/fr/LC_MESSAGES
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/gl
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/gl/LC_MESSAGES
copying build/lib/ase/gui/po/gl/LC_MESSAGES/ag.mo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/gl/LC_MESSAGES
copying build/lib/ase/gui/po/gl/LC_MESSAGES/ag.po -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/gl/LC_MESSAGES
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/ru
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/ru/LC_MESSAGES
copying build/lib/ase/gui/po/ru/LC_MESSAGES/ag.mo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/ru/LC_MESSAGES
copying build/lib/ase/gui/po/ru/LC_MESSAGES/ag.po -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/ru/LC_MESSAGES
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/sv
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/sv/LC_MESSAGES
copying build/lib/ase/gui/po/sv/LC_MESSAGES/ag.mo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/sv/LC_MESSAGES
copying build/lib/ase/gui/po/sv/LC_MESSAGES/ag.po -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/sv/LC_MESSAGES
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/zh_CN
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/zh_CN/LC_MESSAGES
copying build/lib/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/zh_CN/LC_MESSAGES
copying build/lib/ase/gui/po/zh_CN/LC_MESSAGES/ag.po -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po/zh_CN/LC_MESSAGES
copying build/lib/ase/gui/po/Makefile -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po
copying build/lib/ase/gui/widgets.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/view.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/utils.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/ui.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/surfaceslab.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/status.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/settings.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/save.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/rotate.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/repeat.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/render.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/quickinfo.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/pipe.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/nanotube.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/nanoparticle.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/movie.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/modify.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/images.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/i18n.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/gui.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/graphs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/defaults.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/constraints.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/colors.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/clipboard.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/celleditor.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/ag.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/add.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
copying build/lib/ase/gui/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/castep
copying build/lib/ase/io/castep/castep_reader.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/castep
copying build/lib/ase/io/castep/castep_input_file.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/castep
copying build/lib/ase/io/castep/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/castep
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/espresso_namelist
copying build/lib/ase/io/espresso_namelist/namelist.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/espresso_namelist
copying build/lib/ase/io/espresso_namelist/keys.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/espresso_namelist
copying build/lib/ase/io/espresso_namelist/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/espresso_namelist
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/nwchem
copying build/lib/ase/io/nwchem/parser.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/nwchem
copying build/lib/ase/io/nwchem/nwwriter.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/nwchem
copying build/lib/ase/io/nwchem/nwreader_in.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/nwchem
copying build/lib/ase/io/nwchem/nwreader.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/nwchem
copying build/lib/ase/io/nwchem/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/nwchem
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/octopus
copying build/lib/ase/io/octopus/output.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/octopus
copying build/lib/ase/io/octopus/input.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/octopus
copying build/lib/ase/io/octopus/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/octopus
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/vasp_parsers
copying build/lib/ase/io/vasp_parsers/vasp_outcar_parsers.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/vasp_parsers
copying build/lib/ase/io/vasp_parsers/incar_writer.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/vasp_parsers
copying build/lib/ase/io/vasp_parsers/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io/vasp_parsers
copying build/lib/ase/io/zmatrix.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/xyz.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/xtd.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/xsf.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/xsd.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/x3d.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/wien2k.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/wannier90.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/vtkxml.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/vasp.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/v_sim.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/utils.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/ulm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/turbomole.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/trajectory.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/sys.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/siesta_output.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/siesta_input.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/siesta.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/sdf.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/rmc6f.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/res.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/qbox.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/py.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/proteindatabank.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/prismatic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/pov.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/png.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/pickletrajectory.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/orca.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/opls.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/onetep.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/nomad_json.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/netcdftrajectory.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/mustem.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/mol.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/magres.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/lammpsrun.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/lammpsdata.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/jsv.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/jsonio.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/gromos.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/gromacs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/gpw.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/gpumd.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/gpaw_out.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/gen.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/gaussian.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/gamess_us.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/formats.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/findsym.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/extxyz.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/exciting.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/espresso.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/eps.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/eon.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/elk.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/dmol.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/dlp4.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/dftb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/db.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/dacapo.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/cube.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/crystal.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/cp2k.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/cmdft.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/cjson.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/cif_unicode.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/cif.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/cfg.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/bytes.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/bundletrajectory.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/bundlemanipulate.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/bader.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/animation.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/aims.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/aff.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/acemolecule.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/abinit.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
copying build/lib/ase/io/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/io
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/lattice
copying build/lib/ase/lattice/triclinic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/lattice
copying build/lib/ase/lattice/tetragonal.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/lattice
copying build/lib/ase/lattice/orthorhombic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/lattice
copying build/lib/ase/lattice/monoclinic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/lattice
copying build/lib/ase/lattice/hexagonal.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/lattice
copying build/lib/ase/lattice/cubic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/lattice
copying build/lib/ase/lattice/compounds.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/lattice
copying build/lib/ase/lattice/bravais.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/lattice
copying build/lib/ase/lattice/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/lattice
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/verlet.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/velocitydistribution.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/switch_langevin.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/nvtberendsen.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/nptberendsen.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/npt.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/md.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/logger.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/langevin.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/fix.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/contour_exploration.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/andersen.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/analysis.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
copying build/lib/ase/md/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/md
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/mep
copying build/lib/ase/mep/neb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/mep
copying build/lib/ase/mep/dyneb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/mep
copying build/lib/ase/mep/dimer.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/mep
copying build/lib/ase/mep/autoneb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/mep
copying build/lib/ase/mep/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/mep
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/gpmin
copying build/lib/ase/optimize/gpmin/prior.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/gpmin
copying build/lib/ase/optimize/gpmin/kernel.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/gpmin
copying build/lib/ase/optimize/gpmin/gpmin.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/gpmin
copying build/lib/ase/optimize/gpmin/gp.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/gpmin
copying build/lib/ase/optimize/gpmin/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/gpmin
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/precon
copying build/lib/ase/optimize/precon/precon.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/precon
copying build/lib/ase/optimize/precon/neighbors.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/precon
copying build/lib/ase/optimize/precon/lbfgs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/precon
copying build/lib/ase/optimize/precon/fire.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/precon
copying build/lib/ase/optimize/precon/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/precon
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/test
copying build/lib/ase/optimize/test/test.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/test
copying build/lib/ase/optimize/test/systems.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/test
copying build/lib/ase/optimize/test/neb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/test
copying build/lib/ase/optimize/test/generate_rst.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/test
copying build/lib/ase/optimize/test/analyze.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/test
copying build/lib/ase/optimize/test/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize/test
copying build/lib/ase/optimize/sciopt.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/optimize.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/oldqn.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/ode.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/minimahopping.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/mdmin.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/lbfgs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/fire2.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/fire.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/climbfixinternals.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/cellawarebfgs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/bfgslinesearch.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/bfgs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/basin.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
copying build/lib/ase/optimize/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/optimize
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/spacegroup.dat -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/xtal.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/utils.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/symmetrize.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/spacegroup.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/crystal_data.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spacegroup
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spectrum
copying build/lib/ase/spectrum/dosdata.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spectrum
copying build/lib/ase/spectrum/doscollection.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spectrum
copying build/lib/ase/spectrum/band_structure.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spectrum
copying build/lib/ase/spectrum/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spectrum
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/172_defs.par -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/README.md -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/aims
copying build/lib/ase/test/testdata/aims/DFPT_dielectric.out -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/aims
copying build/lib/ase/test/testdata/aims/issue_3345_spin_md_light.out -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/aims
copying build/lib/ase/test/testdata/aims/md.out -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/aims
copying build/lib/ase/test/testdata/aims/numerical_stress.out -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/aims
copying build/lib/ase/test/testdata/aims/polarization.out -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/aims
copying build/lib/ase/test/testdata/aims/preamble_fail.out -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/aims
copying build/lib/ase/test/testdata/aims/relax.out -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/aims
copying build/lib/ase/test/testdata/aims/singlepoint.out -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/aims
copying build/lib/ase/test/testdata/aims/socket.out -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/aims
copying build/lib/ase/test/testdata/gpaw_expected_text_output -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/io
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/io/eon
copying build/lib/ase/test/testdata/io/eon/multi.con -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/io/eon
copying build/lib/ase/test/testdata/io/eon/single.con -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/io/eon
copying build/lib/ase/test/testdata/lammpsdata_input.data -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/lammpslib_simple_input.data -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/large_atoms.magres -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/minerals
copying build/lib/ase/test/testdata/minerals/cod_1010930.cif -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/minerals
copying build/lib/ase/test/testdata/minerals/cod_1010995.cif -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/minerals
copying build/lib/ase/test/testdata/minerals/cod_9001665.cif -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/minerals
copying build/lib/ase/test/testdata/minerals/cod_9004112.cif -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/minerals
copying build/lib/ase/test/testdata/minerals/cod_9004218.cif -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/minerals
copying build/lib/ase/test/testdata/minerals/cod_9007640.cif -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/minerals
copying build/lib/ase/test/testdata/minerals/cod_9007661.cif -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/minerals
copying build/lib/ase/test/testdata/minerals/cod_9017338.cif -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/minerals
copying build/lib/ase/test/testdata/nomad-images.nomad-json -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/nwchem
copying build/lib/ase/test/testdata/nwchem/snippet_multipole_7.0.2-gcc.nwo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/nwchem
copying build/lib/ase/test/testdata/nwchem/snippet_multipole_7.0.2-intel.nwo -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/nwchem
copying build/lib/ase/test/testdata/onetep_include.dat -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/onetep_include_nested.dat -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/opls_structure_ext.xyz -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/qbox_04_md_ntc.reference.xml -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/qbox_test.xml -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/rotated_bz.png -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/siesta
copying build/lib/ase/test/testdata/siesta/siesta.EIG -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/siesta
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/vasp
copying build/lib/ase/test/testdata/vasp/OUTCAR_example_1 -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/vasp
copying build/lib/ase/test/testdata/vasp/POSCAR_example_1 -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/vasp
copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_n_y -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/vasp
copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_y_n -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/vasp
copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_y_y -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/vasp
copying build/lib/ase/test/testdata/vasp/vasprun_dfpt.xml -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/testdata/vasp
copying build/lib/ase/test/pytest.ini -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_set_get_angle.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_scaled_positions.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_rotate_euler.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_rotate.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_permute_axes.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_momenta_velocities.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_mic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_h2.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_get_angles.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_deprecated_get_set.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_compare_atoms.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_center_nonperiodic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_center.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_build.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_instantiation.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_info_copy.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_indices.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_getitem.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_get_positions.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_get_duplicates.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_formula.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_distance.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_angle.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atom_scaled_pos.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atom.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/test_resolve_custom_kpoints.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/test_bandstructure_transform_mcl.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/test_bandstructure_many.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/test_bandstructure_json.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/test_bandstructure.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/test_bandpath.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_standard_form.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_reduce.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_orcc_mcl.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_main.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_line_lattice.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_lattices.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_hex.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_eps.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_bravais_type_engine.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_2d_cell_pbc.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_surface_terminations.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_surface_stack.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_surface.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_supercells.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_minimize_rotation_and_translation.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_connected.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_bulk.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_build_bulk.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_attach.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_
copying build/lib/ase/test/build_/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/abinit
copying build/lib/ase/test/calculator/abinit/test_main.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/abinit
copying build/lib/ase/test/calculator/abinit/test_abinit_cmdline.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/abinit
copying build/lib/ase/test/calculator/abinit/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/abinit
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/ace
copying build/lib/ase/test/calculator/ace/test_ace_calculator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/ace
copying build/lib/ase/test/calculator/ace/test_ace.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/ace
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/aims
copying build/lib/ase/test/calculator/aims/test_version.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/aims
copying build/lib/ase/test/calculator/aims/test_aims_interface.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/aims
copying build/lib/ase/test/calculator/aims/test_H2O_aims.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/aims
copying build/lib/ase/test/calculator/aims/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/aims
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/amber
copying build/lib/ase/test/calculator/amber/test_amber.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/amber
copying build/lib/ase/test/calculator/amber/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/amber
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/castep
copying build/lib/ase/test/calculator/castep/test_castep_interface.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/castep
copying build/lib/ase/test/calculator/castep/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/castep
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/cp2k
copying build/lib/ase/test/calculator/cp2k/test_cp2k_stress.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/cp2k
copying build/lib/ase/test/calculator/cp2k/test_cp2k_restart.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/cp2k
copying build/lib/ase/test/calculator/cp2k/test_cp2k_many.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/cp2k
copying build/lib/ase/test/calculator/cp2k/test_cp2k_dcd.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/cp2k
copying build/lib/ase/test/calculator/cp2k/test_cp2k_H2_None.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/cp2k
copying build/lib/ase/test/calculator/cp2k/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/cp2k
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/crystal
copying build/lib/ase/test/calculator/crystal/test_molecule.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/crystal
copying build/lib/ase/test/calculator/crystal/test_graphene.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/crystal
copying build/lib/ase/test/calculator/crystal/test_bulk.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/crystal
copying build/lib/ase/test/calculator/crystal/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/crystal
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/demon
copying build/lib/ase/test/calculator/demon/test_h2o_xas_xes.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/demon
copying build/lib/ase/test/calculator/demon/test_h2o.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/demon
copying build/lib/ase/test/calculator/demon/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/demon
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/demonnano
copying build/lib/ase/test/calculator/demonnano/test_h2o.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/demonnano
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb
copying build/lib/ase/test/calculator/dftb/test_xtb_static.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb
copying build/lib/ase/test/calculator/dftb/test_dipole.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb
copying build/lib/ase/test/calculator/dftb/test_dftb_relax_surface.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb
copying build/lib/ase/test/calculator/dftb/test_dftb_relax_dimer.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb
copying build/lib/ase/test/calculator/dftb/test_dftb_relax_bulk.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb
copying build/lib/ase/test/calculator/dftb/test_dftb_bandstructure.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb
copying build/lib/ase/test/calculator/dftb/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dmol
copying build/lib/ase/test/calculator/dmol/test_water_dmol.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dmol
copying build/lib/ase/test/calculator/dmol/test_Al_dmol.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dmol
copying build/lib/ase/test/calculator/dmol/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dmol
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/elk
copying build/lib/ase/test/calculator/elk/test_elk.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/elk
copying build/lib/ase/test/calculator/elk/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/elk
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/espresso
copying build/lib/ase/test/calculator/espresso/test_espresso.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/espresso
copying build/lib/ase/test/calculator/espresso/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/espresso
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/exciting
copying build/lib/ase/test/calculator/exciting/test_runner.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/exciting
copying build/lib/ase/test/calculator/exciting/test_exciting.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/exciting
copying build/lib/ase/test/calculator/exciting/conftest.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/exciting
copying build/lib/ase/test/calculator/exciting/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/exciting
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gamess_us
copying build/lib/ase/test/calculator/gamess_us/test_gamess_us.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gamess_us
copying build/lib/ase/test/calculator/gamess_us/test_basis_ecp.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gamess_us
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gaussian
copying build/lib/ase/test/calculator/gaussian/test_water.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gaussian
copying build/lib/ase/test/calculator/gaussian/test_optimizer_irc.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gaussian
copying build/lib/ase/test/calculator/gaussian/test_h2of.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gaussian
copying build/lib/ase/test/calculator/gaussian/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gaussian
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gpaw_
copying build/lib/ase/test/calculator/gpaw_/test_wannier.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gpaw_
copying build/lib/ase/test/calculator/gpaw_/test_read_text_output.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gpaw_
copying build/lib/ase/test/calculator/gpaw_/test_no_spin_and_spin.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gpaw_
copying build/lib/ase/test/calculator/gpaw_/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gpaw_
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gromacs
copying build/lib/ase/test/calculator/gromacs/test_gromacs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gromacs
copying build/lib/ase/test/calculator/gromacs/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gromacs
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_update_neighbor_parameters.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_update_coords.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_single_atom.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_relax.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_multi_neighlist.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_modify_parameters.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_energy_forces_stress.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_cutoff_skin.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammps
copying build/lib/ase/test/calculator/lammps/test_prism.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammps
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_simple.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/test_Pt_stress_cellopt.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/conftest.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/test_no_data_file_wrap.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/test_lammps_units.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/test_NaCl_minimize.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/test_Ar_minimize.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_version.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_stress.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_runmany.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_parser.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_multitask.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_h3o2m.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_eigenvalues.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_cmdline.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_bands.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/octopus
copying build/lib/ase/test/calculator/octopus/test_big.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/octopus
copying build/lib/ase/test/calculator/octopus/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/octopus
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/onetep
copying build/lib/ase/test/calculator/onetep/test_onetep.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/onetep
copying build/lib/ase/test/calculator/onetep/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/onetep
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/openmx
copying build/lib/ase/test/calculator/openmx/test_version.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/openmx
copying build/lib/ase/test/calculator/openmx/test_md.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/openmx
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/plumed
copying build/lib/ase/test/calculator/plumed/test_plumed.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/plumed
copying build/lib/ase/test/calculator/plumed/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/plumed
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/psi4
copying build/lib/ase/test/calculator/psi4/test_psi4_HF_3_21G.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/psi4
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/qchem
copying build/lib/ase/test/calculator/qchem/test_qchem_calculator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/qchem
copying build/lib/ase/test/calculator/qchem/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/qchem
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/lrtddft
copying build/lib/ase/test/calculator/siesta/lrtddft/test_siesta_raman.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/lrtddft
copying build/lib/ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/lrtddft
copying build/lib/ase/test/calculator/siesta/lrtddft/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/lrtddft
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/CH4
copying build/lib/ase/test/calculator/siesta/test_scripts/CH4/script.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/CH4
copying build/lib/ase/test/calculator/siesta/test_scripts/CH4/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/CH4
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Charge
copying build/lib/ase/test/calculator/siesta/test_scripts/Charge/script.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Charge
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/H2
copying build/lib/ase/test/calculator/siesta/test_scripts/H2/script.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/H2
copying build/lib/ase/test/calculator/siesta/test_scripts/H2/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/H2
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Na8
copying build/lib/ase/test/calculator/siesta/test_scripts/Na8/script.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Na8
copying build/lib/ase/test/calculator/siesta/test_scripts/Na8/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Na8
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Si
copying build/lib/ase/test/calculator/siesta/test_scripts/Si/script.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Si
copying build/lib/ase/test/calculator/siesta/test_scripts/Si/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Si
copying build/lib/ase/test/calculator/siesta/test_scripts/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts
copying build/lib/ase/test/calculator/siesta/test_write_input.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/test_siesta_zmat.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/test_siesta_version.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/test_siesta_read_eigenvalues.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/test_fdf_io.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/test_dos.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/test_bandstructure.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/socketio
copying build/lib/ase/test/calculator/socketio/test_socket_io_mpi_line.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/socketio
copying build/lib/ase/test/calculator/socketio/test_python_interface.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/socketio
copying build/lib/ase/test/calculator/socketio/test_ipi_protocol_bfgs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/socketio
copying build/lib/ase/test/calculator/socketio/test_integration.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/socketio
copying build/lib/ase/test/calculator/socketio/test_h2_stiffness.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/socketio
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_statpt.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_reader.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_qmmm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_parameters.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_optimizer.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_h3o2m.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_h2o.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_calculator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_au13.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_H2.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_2h2o.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_version.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_xml.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_wdir.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_setup.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_potcar.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_kpoints.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_input.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_incar.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_get_dos.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_freq.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_converge.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_co.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_check_state.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_charge.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_calculator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_Al_volrelax.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/filecmp_ignore_whitespace.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/conftest.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/test_ts09.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_traj.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_subprocess_calculator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_si_stress.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_polarizability.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_orca_qmmm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_orca.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_morse.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_mopac.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_lj.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_harmonic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_h2morse.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_h2_bond_force.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_h2.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_gulp_opt.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_gulp.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_eam_run.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_eam.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_dftd3.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_command.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_ch4_energy.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_calculator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_bond_polarizability.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_al.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/conftest.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_supercell.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_standard_form.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_niggli_op.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_niggli_ndim.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_niggli.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_minkowski_reduce.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_conventional_map.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_cell_uncompletion.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_cell_conv.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_cell_completion.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_cell.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
copying build/lib/ase/test/cell/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_run.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_info.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_imports.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_exec.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_dimensionality.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_diff.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_convert.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_complete.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_bzplot.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_bandstructure.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_ag.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
copying build/lib/ase/test/cli/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_setpos.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_repeat_FixAtoms.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_parameteric_constr.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_negativeindex.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_mirror.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_hookean_pbc.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_hookean.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_getindices.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixsubsetcom.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixscaled.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixinternals.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixedmode.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixedline_fixedplane.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixcom.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixcartesian.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixbonds.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixbondlength_CO2_Au111.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixatoms.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fix_symmetry.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fix_bond_length_mic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_external_force.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_CO2linear_Au111.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_update.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_table.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_sqlite.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_sql_db_ext_tables.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_row.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_o2b2o.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_mysql.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_metadata.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_jsondb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_db_web.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_db2.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_db.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/test_cli.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/conftest.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
copying build/lib/ase/test/db/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_monoclinic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_min_distance_monkhorst_pack.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_kpts_size_offsets.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_kpt_density_monkhorst_pack.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_interpolate.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_hex.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_dos.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_bz.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_bee.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_bandgap.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft
copying build/lib/ase/test/dft/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/emt
copying build/lib/ase/test/emt/test_emt_stress.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/emt
copying build/lib/ase/test/emt/test_emt_h3o2m.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/emt
copying build/lib/ase/test/emt/test_emt2.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/emt
copying build/lib/ase/test/emt/test_emt1.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/emt
copying build/lib/ase/test/emt/test_emt.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/emt
copying build/lib/ase/test/emt/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/emt
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/filter
copying build/lib/ase/test/filter/test_strain_emt.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/filter
copying build/lib/ase/test/filter/test_strain.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/filter
copying build/lib/ase/test/filter/test_filter.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/filter
copying build/lib/ase/test/filter/test_cellfilter.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/filter
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/aims
copying build/lib/ase/test/fio/aims/test_write_control.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/aims
copying build/lib/ase/test/fio/aims/test_geometry.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/aims
copying build/lib/ase/test/fio/aims/test_aims_out_chunks.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/aims
copying build/lib/ase/test/fio/aims/test_aims_out.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/aims
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/castep
copying build/lib/ase/test/fio/castep/test_read_bands.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/castep
copying build/lib/ase/test/fio/castep/test_castep_reader.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/castep
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/exciting
copying build/lib/ase/test/fio/exciting/test_exciting.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/exciting
copying build/lib/ase/test/fio/exciting/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/exciting
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/vasp
copying build/lib/ase/test/fio/vasp/test_vasp_poscar.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/vasp
copying build/lib/ase/test/fio/vasp/test_vasp_outcar_parsers.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/vasp
copying build/lib/ase/test/fio/vasp/test_vasp_out.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/vasp
copying build/lib/ase/test/fio/vasp/test_read_vasp_xml.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/vasp
copying build/lib/ase/test/fio/vasp/test_poscar.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/vasp
copying build/lib/ase/test/fio/vasp/test_incar_writer.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/vasp
copying build/lib/ase/test/fio/test_xyz.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_xsf_spec.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_xsd_bond.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_wout.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_vasp_structure.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_v_sim.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_ulm_dummy.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_ulm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_turbomole.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_trajectory_heterogeneous.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_trajectory.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_traj_bytesio.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_siesta.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_sdf.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_rmc6f.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_res.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_readwrite_errors.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_qbox.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_pycodcif_read.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_proteindatabank.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_prismatic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_povray.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_pickle_bundle_trajectory.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_pdb_extra.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_pdb_cell_io.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_parallel.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_orca.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_opls.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_openmx.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_onetep.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_oldtraj.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_oi.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_octopus.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_nwchem.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_nomad.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_netcdftrajectory.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_mustem.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_match_magic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_magres.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_magmom.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_lammpsdump.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_jsonio_atoms.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_jsonio.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_json_arrays.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_iread_path.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_ioformats.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_info.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_gpumd.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_gpaw.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_gen.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_gaussian_out.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_gaussian_gjf_input.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_gaussian.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_formats.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_fileobj.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_extxyz.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_external_io_formats.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_espresso_ph.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_eon_readwrite.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_eon_multi_image_read.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_elk.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_dmol.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_dlp.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_dftb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_cube.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_compression.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_cjson.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_cifblock.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_cif.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_cfg.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_castep.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_atoms_bytes.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_animate.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_ace.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_abinit.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/conftest.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
copying build/lib/ase/test/fio/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_utils_ff_vdw.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_tipnp.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_tip4p.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_rattle_linear.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_rattle.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_qmmm_acn.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_qmmm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_forceqmmm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_counterions.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_combine_mm2.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_combine_mm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_aic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_acn.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_standardcomparator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_slab_operators.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_particle_operators.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_particle_mutations.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_particle_comparators.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_mutations.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_film_operators.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_element_operators.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_database_logic.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_cutandsplicepairing.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_create_database.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_chain_operators.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_bulk_operators.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_basic_example_main_run.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_add_candidates.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
copying build/lib/ase/test/ga/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry
copying build/lib/ase/test/geometry/test_geometry_rdf.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry
copying build/lib/ase/test/geometry/test_geometry_derivatives.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry
copying build/lib/ase/test/geometry/test_geometry.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry
copying build/lib/ase/test/geometry/test_distance.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry
copying build/lib/ase/test/geometry/test_dimensionality.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry
copying build/lib/ase/test/geometry/test_analysis.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry
copying build/lib/ase/test/geometry/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/gui
copying build/lib/ase/test/gui/test_run.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/gui
copying build/lib/ase/test/gui/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/gui
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/test_write_and_read.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/test_read_connectivity.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/test_lammpsdata_write.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/test_lammpsdata_read.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/parse_lammps_data_file.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/conftest.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/comparison.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_verlet_thermostats_asap.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_velocity_distribution.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_phonon_md_init.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_nvt_npt.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_md_logger_interval.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_md_logger.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_md.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_maxwellboltzmann.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_langevin_switching.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_langevin_com.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_langevin_asapcompat.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_idealgas.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_fixrotation.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_ce_potentiostat.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_ce_logging.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_ce_curvature.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/test_CO2linear_Au111_langevin.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
copying build/lib/ase/test/md/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_shared_calculator_neb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_precon_neb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_neb_tr.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_interpolate_images.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_idpp.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_dynamic_neb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_autoneb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_COCu111_2.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_COCu111.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb
copying build/lib/ase/test/neb/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neighbor
copying build/lib/ase/test/neighbor/test_neighbor_kernel.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neighbor
copying build/lib/ase/test/neighbor/test_neighbor_initialization.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neighbor
copying build/lib/ase/test/neighbor/test_neighbor.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neighbor
copying build/lib/ase/test/neighbor/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neighbor
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_replay.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_optimizers.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_optimizer_restart.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_optimize_stepwise.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_nsteps.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_minimahop.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_maxstep.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_fire2.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_fire.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_climb_fix_internals.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_cellawarebfgs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_bad_restart.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon
copying build/lib/ase/test/precon/test_unitcellfilter.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon
copying build/lib/ase/test/precon/test_smallcell.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon
copying build/lib/ase/test/precon/test_precon_assembly.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon
copying build/lib/ase/test/precon/test_lbfgs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon
copying build/lib/ase/test/precon/test_ff_and_precon_c60.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon
copying build/lib/ase/test/precon/test_amin.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon
copying build/lib/ase/test/precon/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spacegroup
copying build/lib/ase/test/spacegroup/test_spacegroup_utils.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spacegroup
copying build/lib/ase/test/spacegroup/test_spacegroup_crystal.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spacegroup
copying build/lib/ase/test/spacegroup/test_spacegroup.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spacegroup
copying build/lib/ase/test/spacegroup/test_space_group_data.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spacegroup
copying build/lib/ase/test/spacegroup/test_minerals.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spacegroup
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spectrum
copying build/lib/ase/test/spectrum/test_dosdata.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spectrum
copying build/lib/ase/test/spectrum/test_doscollection.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spectrum
copying build/lib/ase/test/spectrum/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spectrum
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/standardization
copying build/lib/ase/test/standardization/test_properties.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/standardization
copying build/lib/ase/test/standardization/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/standardization
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/transport
copying build/lib/ase/test/transport/test_transport_calculator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/transport
copying build/lib/ase/test/transport/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/transport
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_vibrations_example.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_vib.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_profeta_albrecht.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_placzek.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_pickle2json.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_franck_condon.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_folding.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_combine.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_bond_polarizability_raman.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_albrecht.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/vibrations
copying build/lib/ase/test/utils.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/testsuite.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_zmatrix.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_xwopen.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_xrdebye.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_x3d.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_versionnumber.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_util.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_units.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_timing.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_things.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_thermochemistry.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_symbols.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_structure_comparator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_stress.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_stm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_springcalc.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_singlepointcalc.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_singlepoint_dft_calc.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_s22.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_root_surf.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_quaternions.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_pubchem.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_ptable.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_properties.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_pourbaix.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_potential_energies.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_phonons.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_phasediagram.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_pathlib_support.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_parsemath.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_nwchem_writer.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_noncollinear.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_mpi.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_mixingcalc.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_minimum_image_convention.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_matplotlib_plot.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_makebandpath.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_loggingcalc.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_lock.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_linesearch_maxstep.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_lattice_lindep.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_kpts2kpts.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_kpts.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_issue276.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_isotopes.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_imports.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_hcp.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_gromacs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_grid_slice.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_formula.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_forcecurve.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_filecache.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_external_viewer.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_example.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_eos.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_dos.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_doctests.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_distmom.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_dimer_method.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_dimer.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_diffusion_coefficient.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_dependency_list.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_cutoffs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_cluster.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_checkpoint.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_calculator_label.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_calculator_equal.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_calc_properties.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_calc_outputs_big.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_basin.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_bandpath_kpts_axis.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/test_bader.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/factories.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/conftest.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
copying build/lib/ase/test/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/transport
copying build/lib/ase/transport/tools.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/transport
copying build/lib/ase/transport/stm.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/transport
copying build/lib/ase/transport/selfenergy.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/transport
copying build/lib/ase/transport/greenfunction.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/transport
copying build/lib/ase/transport/calculators.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/transport
copying build/lib/ase/transport/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/transport
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/xrdebye.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/timing.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/structure_comparator.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/sphinx.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/ptable.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/plugins.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/plotting.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/parsemath.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/newrelease.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/linesearcharmijo.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/linesearch.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/forcecurve.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/filecache.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/ff.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/deltacodesdft.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/cube.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/checkimports.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/cext.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/build_web_page.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/arraywrapper.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/abc.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
copying build/lib/ase/utils/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations
copying build/lib/ase/vibrations/vibrations.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations
copying build/lib/ase/vibrations/resonant_raman.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations
copying build/lib/ase/vibrations/raman.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations
copying build/lib/ase/vibrations/placzek.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations
copying build/lib/ase/vibrations/pickle2json.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations
copying build/lib/ase/vibrations/infrared.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations
copying build/lib/ase/vibrations/franck_condon.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations
copying build/lib/ase/vibrations/data.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations
copying build/lib/ase/vibrations/albrecht.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations
copying build/lib/ase/vibrations/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations
creating /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize
copying build/lib/ase/visualize/x3d.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize
copying build/lib/ase/visualize/viewers.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize
copying build/lib/ase/visualize/sage.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize
copying build/lib/ase/visualize/plot.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize
copying build/lib/ase/visualize/paraview_script.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize
copying build/lib/ase/visualize/ngl.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize
copying build/lib/ase/visualize/mlab.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize
copying build/lib/ase/visualize/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize
copying build/lib/ase/units.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/thermochemistry.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/symbols.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/stress.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/quaternions.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/phonons.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/phasediagram.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/parallel.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/outputs.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/nomad.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/neighborlist.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/neb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/formula.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/filters.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/eos.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/dyneb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/dimer.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/dependencies.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/constraints.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/config.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/codes.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/cell.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/autoneb.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/atoms.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/atom.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/__main__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
copying build/lib/ase/__init__.py -> /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/tube.py to tube.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/tools.py to tools.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/surfaces_with_termination.py to surfaces_with_termination.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/surface.py to surface.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/supercells.py to supercells.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/rotate.py to rotate.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/root.py to root.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/ribbon.py to ribbon.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/niggli.py to niggli.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/molecule.py to molecule.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/general_surface.py to general_surface.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/connected.py to connected.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/bulk.py to bulk.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/attach.py to attach.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/demon/demon_io.py to demon_io.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/demon/demon.py to demon.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/demon/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/exciting/runner.py to runner.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/exciting/exciting.py to exciting.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/exciting/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/neighborlist.py to neighborlist.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/kimpy_wrappers.py to kimpy_wrappers.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/kimmodel.py to kimmodel.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/kim.py to kim.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/exceptions.py to exceptions.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/calculators.py to calculators.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps/unitconvert_constants.py to unitconvert_constants.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps/unitconvert.py to unitconvert.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps/inputwriter.py to inputwriter.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps/coordinatetransform.py to coordinatetransform.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/writer.py to writer.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/reader.py to reader.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/parameters.py to parameters.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/openmx.py to openmx.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/dos.py to dos.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/default_settings.py to default_settings.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta/siesta_lrtddft.py to siesta_lrtddft.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta/siesta.py to siesta.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta/parameters.py to parameters.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta/import_ion_xml.py to import_ion_xml.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta/__init__.py to __init__.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spectrum/doscollection.py to doscollection.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spectrum/band_structure.py to band_structure.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/spectrum/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_set_get_angle.py to test_set_get_angle.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_scaled_positions.py to test_scaled_positions.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_rotate_euler.py to test_rotate_euler.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_rotate.py to test_rotate.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_permute_axes.py to test_permute_axes.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_momenta_velocities.py to test_momenta_velocities.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_mic.py to test_mic.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_h2.py to test_h2.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_get_angles.py to test_get_angles.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_deprecated_get_set.py to test_deprecated_get_set.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_compare_atoms.py to test_compare_atoms.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_center_nonperiodic.py to test_center_nonperiodic.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_center.py to test_center.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_build.py to test_build.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_atoms_instantiation.py to test_atoms_instantiation.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_atoms_info_copy.py to test_atoms_info_copy.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_atoms_indices.py to test_atoms_indices.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_atoms_getitem.py to test_atoms_getitem.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_atoms_get_positions.py to test_atoms_get_positions.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_atoms_get_duplicates.py to test_atoms_get_duplicates.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_atoms_formula.py to test_atoms_formula.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_atoms_distance.py to test_atoms_distance.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_atoms_angle.py to test_atoms_angle.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_atoms.py to test_atoms.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_atom_scaled_pos.py to test_atom_scaled_pos.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/atoms/test_atom.py to test_atom.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure/test_resolve_custom_kpoints.py to test_resolve_custom_kpoints.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure/test_bandstructure_transform_mcl.py to test_bandstructure_transform_mcl.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure/test_bandstructure_many.py to test_bandstructure_many.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure/test_bandstructure_json.py to test_bandstructure_json.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure/test_bandstructure.py to test_bandstructure.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure/test_bandpath.py to test_bandpath.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bandstructure/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais/test_standard_form.py to test_standard_form.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais/test_reduce.py to test_reduce.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais/test_orcc_mcl.py to test_orcc_mcl.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais/test_main.py to test_main.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais/test_line_lattice.py to test_line_lattice.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais/test_lattices.py to test_lattices.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais/test_hex.py to test_hex.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais/test_eps.py to test_eps.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais/test_bravais_type_engine.py to test_bravais_type_engine.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais/test_2d_cell_pbc.py to test_2d_cell_pbc.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/bravais/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_/test_surface_terminations.py to test_surface_terminations.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_/test_surface_stack.py to test_surface_stack.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_/test_surface.py to test_surface.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_/test_supercells.py to test_supercells.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_/test_minimize_rotation_and_translation.py to test_minimize_rotation_and_translation.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_/test_connected.py to test_connected.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_/test_bulk.py to test_bulk.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_/test_build_bulk.py to test_build_bulk.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/build_/test_attach.py to test_attach.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/abinit/test_abinit_cmdline.py to test_abinit_cmdline.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/abinit/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/ace/test_ace_calculator.py to test_ace_calculator.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/ace/test_ace.py to test_ace.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/aims/test_version.py to test_version.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/aims/test_aims_interface.py to test_aims_interface.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/aims/test_H2O_aims.py to test_H2O_aims.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/amber/test_amber.py to test_amber.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/castep/test_castep_interface.py to test_castep_interface.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/castep/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/cp2k/test_cp2k_stress.py to test_cp2k_stress.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/cp2k/test_cp2k_restart.py to test_cp2k_restart.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/cp2k/test_cp2k_many.py to test_cp2k_many.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/cp2k/test_cp2k_dcd.py to test_cp2k_dcd.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/cp2k/test_cp2k_H2_None.py to test_cp2k_H2_None.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/crystal/test_molecule.py to test_molecule.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/crystal/test_graphene.py to test_graphene.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/crystal/test_bulk.py to test_bulk.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/crystal/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/demon/test_h2o_xas_xes.py to test_h2o_xas_xes.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/demon/test_h2o.py to test_h2o.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/demon/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/demonnano/test_h2o.py to test_h2o.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb/test_xtb_static.py to test_xtb_static.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb/test_dipole.py to test_dipole.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb/test_dftb_relax_surface.py to test_dftb_relax_surface.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb/test_dftb_relax_dimer.py to test_dftb_relax_dimer.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb/test_dftb_relax_bulk.py to test_dftb_relax_bulk.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb/test_dftb_bandstructure.py to test_dftb_bandstructure.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dftb/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dmol/test_water_dmol.py to test_water_dmol.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dmol/test_Al_dmol.py to test_Al_dmol.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/dmol/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/elk/test_elk.py to test_elk.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/elk/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/espresso/test_espresso.py to test_espresso.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/espresso/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/exciting/test_runner.py to test_runner.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/exciting/test_exciting.py to test_exciting.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/exciting/conftest.py to conftest.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/exciting/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gamess_us/test_gamess_us.py to test_gamess_us.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gamess_us/test_basis_ecp.py to test_basis_ecp.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gaussian/test_water.py to test_water.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gaussian/test_optimizer_irc.py to test_optimizer_irc.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gaussian/test_h2of.py to test_h2of.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gaussian/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gpaw_/test_wannier.py to test_wannier.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gpaw_/test_read_text_output.py to test_read_text_output.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gpaw_/test_no_spin_and_spin.py to test_no_spin_and_spin.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gpaw_/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gromacs/test_gromacs.py to test_gromacs.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/gromacs/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim/test_update_neighbor_parameters.py to test_update_neighbor_parameters.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim/test_update_coords.py to test_update_coords.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim/test_single_atom.py to test_single_atom.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim/test_relax.py to test_relax.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim/test_multi_neighlist.py to test_multi_neighlist.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim/test_modify_parameters.py to test_modify_parameters.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim/test_energy_forces_stress.py to test_energy_forces_stress.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim/test_cutoff_skin.py to test_cutoff_skin.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/kim/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammps/test_prism.py to test_prism.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py to test_lammpslib_small_nonperiodic.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib/test_lammpslib_simple.py to test_lammpslib_simple.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py to test_lammpslib_post_changebox_cmds.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py to test_lammpslib_neighlist_bug.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py to test_lammpslib_change_cell_bcs.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib/test_Pt_stress_cellopt.py to test_Pt_stress_cellopt.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib/conftest.py to conftest.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpslib/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun/test_no_data_file_wrap.py to test_no_data_file_wrap.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun/test_lammps_units.py to test_lammps_units.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py to test_Pt_stress_cellopt.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py to test_Pt_md_constraints_multistep.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun/test_NaCl_minimize.py to test_NaCl_minimize.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun/test_Ar_minimize.py to test_Ar_minimize.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/lammpsrun/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem/test_nwchem_version.py to test_nwchem_version.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem/test_nwchem_stress.py to test_nwchem_stress.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py to test_nwchem_spin_symmetry.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem/test_nwchem_runmany.py to test_nwchem_runmany.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem/test_nwchem_parser.py to test_nwchem_parser.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem/test_nwchem_multitask.py to test_nwchem_multitask.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem/test_nwchem_h3o2m.py to test_nwchem_h3o2m.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem/test_nwchem_eigenvalues.py to test_nwchem_eigenvalues.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem/test_nwchem_cmdline.py to test_nwchem_cmdline.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py to test_nwchem_broken_symmetry.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem/test_nwchem_bands.py to test_nwchem_bands.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/nwchem/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/octopus/test_big.py to test_big.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/octopus/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/onetep/test_onetep.py to test_onetep.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/onetep/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/openmx/test_version.py to test_version.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/openmx/test_md.py to test_md.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/plumed/test_plumed.py to test_plumed.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/plumed/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/psi4/test_psi4_HF_3_21G.py to test_psi4_HF_3_21G.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/qchem/test_qchem_calculator.py to test_qchem_calculator.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/qchem/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/lrtddft/test_siesta_raman.py to test_siesta_raman.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py to test_siesta_lrtddft.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/lrtddft/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/CH4/script.py to script.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/CH4/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Charge/script.py to script.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/H2/script.py to script.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/H2/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Na8/script.py to script.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Na8/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Si/script.py to script.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/Si/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_scripts/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_write_input.py to test_write_input.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_siesta_zmat.py to test_siesta_zmat.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_siesta_version.py to test_siesta_version.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_siesta_read_eigenvalues.py to test_siesta_read_eigenvalues.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_fdf_io.py to test_fdf_io.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_dos.py to test_dos.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/test_bandstructure.py to test_bandstructure.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/siesta/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/socketio/test_socket_io_mpi_line.py to test_socket_io_mpi_line.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/socketio/test_python_interface.py to test_python_interface.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/socketio/test_ipi_protocol_bfgs.py to test_ipi_protocol_bfgs.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/socketio/test_integration.py to test_integration.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/socketio/test_h2_stiffness.py to test_h2_stiffness.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole/test_turbomole_statpt.py to test_turbomole_statpt.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole/test_turbomole_reader.py to test_turbomole_reader.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole/test_turbomole_qmmm.py to test_turbomole_qmmm.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole/test_turbomole_parameters.py to test_turbomole_parameters.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole/test_turbomole_optimizer.py to test_turbomole_optimizer.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole/test_turbomole_h3o2m.py to test_turbomole_h3o2m.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole/test_turbomole_h2o.py to test_turbomole_h2o.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole/test_turbomole_calculator.py to test_turbomole_calculator.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole/test_turbomole_au13.py to test_turbomole_au13.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole/test_turbomole_H2.py to test_turbomole_H2.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole/test_turbomole_2h2o.py to test_turbomole_2h2o.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/turbomole/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_version.py to test_version.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_xml.py to test_vasp_xml.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_wdir.py to test_vasp_wdir.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_setup.py to test_vasp_setup.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_potcar.py to test_vasp_potcar.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_kpoints.py to test_vasp_kpoints.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_input.py to test_vasp_input.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_incar.py to test_vasp_incar.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_get_dos.py to test_vasp_get_dos.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_freq.py to test_vasp_freq.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_converge.py to test_vasp_converge.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_co.py to test_vasp_co.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_check_state.py to test_vasp_check_state.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_charge.py to test_vasp_charge.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_calculator.py to test_vasp_calculator.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/test_vasp_Al_volrelax.py to test_vasp_Al_volrelax.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/filecmp_ignore_whitespace.py to filecmp_ignore_whitespace.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/conftest.py to conftest.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/vasp/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_ts09.py to test_ts09.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_traj.py to test_traj.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_subprocess_calculator.py to test_subprocess_calculator.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_si_stress.py to test_si_stress.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_polarizability.py to test_polarizability.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_orca_qmmm.py to test_orca_qmmm.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_orca.py to test_orca.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_morse.py to test_morse.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_mopac.py to test_mopac.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_lj.py to test_lj.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_harmonic.py to test_harmonic.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_h2morse.py to test_h2morse.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_h2_bond_force.py to test_h2_bond_force.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_h2.py to test_h2.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_gulp_opt.py to test_gulp_opt.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_gulp.py to test_gulp.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_eam_run.py to test_eam_run.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_eam.py to test_eam.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_dftd3.py to test_dftd3.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_command.py to test_command.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_ch4_energy.py to test_ch4_energy.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_calculator.py to test_calculator.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_bond_polarizability.py to test_bond_polarizability.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/test_al.py to test_al.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/conftest.py to conftest.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/calculator/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell/test_supercell.py to test_supercell.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell/test_standard_form.py to test_standard_form.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell/test_niggli_op.py to test_niggli_op.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell/test_niggli_ndim.py to test_niggli_ndim.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell/test_niggli.py to test_niggli.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell/test_minkowski_reduce.py to test_minkowski_reduce.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell/test_conventional_map.py to test_conventional_map.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell/test_cell_uncompletion.py to test_cell_uncompletion.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell/test_cell_conv.py to test_cell_conv.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell/test_cell_completion.py to test_cell_completion.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell/test_cell.py to test_cell.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cell/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli/test_run.py to test_run.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli/test_info.py to test_info.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli/test_imports.py to test_imports.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli/test_exec.py to test_exec.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli/test_dimensionality.py to test_dimensionality.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli/test_diff.py to test_diff.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli/test_convert.py to test_convert.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli/test_complete.py to test_complete.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli/test_bzplot.py to test_bzplot.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli/test_bandstructure.py to test_bandstructure.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli/test_ag.py to test_ag.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/cli/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_setpos.py to test_setpos.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_repeat_FixAtoms.py to test_repeat_FixAtoms.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_parameteric_constr.py to test_parameteric_constr.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_negativeindex.py to test_negativeindex.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_mirror.py to test_mirror.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_hookean_pbc.py to test_hookean_pbc.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_hookean.py to test_hookean.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_getindices.py to test_getindices.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_fixsubsetcom.py to test_fixsubsetcom.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_fixinternals.py to test_fixinternals.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_fixedmode.py to test_fixedmode.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_fixedline_fixedplane.py to test_fixedline_fixedplane.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_fixcom.py to test_fixcom.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_fixcartesian.py to test_fixcartesian.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_fixbonds.py to test_fixbonds.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_fixbondlength_CO2_Au111.py to test_fixbondlength_CO2_Au111.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_fixatoms.py to test_fixatoms.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_fix_symmetry.py to test_fix_symmetry.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_fix_bond_length_mic.py to test_fix_bond_length_mic.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_external_force.py to test_external_force.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/test_CO2linear_Au111.py to test_CO2linear_Au111.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/constraints/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db/test_update.py to test_update.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db/test_table.py to test_table.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db/test_sqlite.py to test_sqlite.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db/test_sql_db_ext_tables.py to test_sql_db_ext_tables.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db/test_o2b2o.py to test_o2b2o.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db/test_mysql.py to test_mysql.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db/test_metadata.py to test_metadata.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db/test_jsondb.py to test_jsondb.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db/test_db_web.py to test_db_web.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db/test_db2.py to test_db2.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/db/test_db.py to test_db.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft/test_interpolate.py to test_interpolate.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft/test_hex.py to test_hex.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft/test_dos.py to test_dos.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft/test_bandgap.py to test_bandgap.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/dft/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/emt/test_emt_stress.py to test_emt_stress.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/emt/test_emt2.py to test_emt2.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/emt/test_emt1.py to test_emt1.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/emt/test_emt.py to test_emt.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/filter/test_strain_emt.py to test_strain_emt.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/filter/test_strain.py to test_strain.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/filter/test_cellfilter.py to test_cellfilter.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/aims/test_write_control.py to test_write_control.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/aims/test_geometry.py to test_geometry.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/aims/test_aims_out_chunks.py to test_aims_out_chunks.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/aims/test_aims_out.py to test_aims_out.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/castep/test_read_bands.py to test_read_bands.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/exciting/test_exciting.py to test_exciting.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/vasp/test_vasp_poscar.py to test_vasp_poscar.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/vasp/test_vasp_out.py to test_vasp_out.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/vasp/test_read_vasp_xml.py to test_read_vasp_xml.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/vasp/test_poscar.py to test_poscar.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/vasp/test_incar_writer.py to test_incar_writer.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_xyz.py to test_xyz.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_xsf_spec.py to test_xsf_spec.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_xsd_bond.py to test_xsd_bond.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_wout.py to test_wout.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_vasp_structure.py to test_vasp_structure.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_v_sim.py to test_v_sim.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_ulm_dummy.py to test_ulm_dummy.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_ulm.py to test_ulm.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_turbomole.py to test_turbomole.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_trajectory_heterogeneous.py to test_trajectory_heterogeneous.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_trajectory.py to test_trajectory.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_traj_bytesio.py to test_traj_bytesio.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_siesta.py to test_siesta.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_sdf.py to test_sdf.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_rmc6f.py to test_rmc6f.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_res.py to test_res.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_readwrite_errors.py to test_readwrite_errors.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_qbox.py to test_qbox.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_pycodcif_read.py to test_pycodcif_read.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_proteindatabank.py to test_proteindatabank.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_prismatic.py to test_prismatic.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_povray.py to test_povray.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_pickle_bundle_trajectory.py to test_pickle_bundle_trajectory.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_pdb_extra.py to test_pdb_extra.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_pdb_cell_io.py to test_pdb_cell_io.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_parallel.py to test_parallel.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_orca.py to test_orca.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_opls.py to test_opls.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_openmx.py to test_openmx.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_onetep.py to test_onetep.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_oldtraj.py to test_oldtraj.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_oi.py to test_oi.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_octopus.py to test_octopus.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_nwchem.py to test_nwchem.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_nomad.py to test_nomad.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_netcdftrajectory.py to test_netcdftrajectory.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_mustem.py to test_mustem.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_match_magic.py to test_match_magic.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_magres.py to test_magres.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_magmom.py to test_magmom.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_lammpsdump.py to test_lammpsdump.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_jsonio_atoms.py to test_jsonio_atoms.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_jsonio.py to test_jsonio.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_json_arrays.py to test_json_arrays.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_iread_path.py to test_iread_path.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_ioformats.py to test_ioformats.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_info.py to test_info.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_gpumd.py to test_gpumd.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_gpaw.py to test_gpaw.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_gen.py to test_gen.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_gaussian_out.py to test_gaussian_out.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_gaussian_gjf_input.py to test_gaussian_gjf_input.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_gaussian.py to test_gaussian.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_formats.py to test_formats.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_fileobj.py to test_fileobj.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_extxyz.py to test_extxyz.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_external_io_formats.py to test_external_io_formats.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_espresso_ph.py to test_espresso_ph.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_eon_readwrite.py to test_eon_readwrite.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_eon_multi_image_read.py to test_eon_multi_image_read.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_elk.py to test_elk.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_dmol.py to test_dmol.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_dlp.py to test_dlp.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_dftb.py to test_dftb.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_cube.py to test_cube.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_compression.py to test_compression.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_cjson.py to test_cjson.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_cifblock.py to test_cifblock.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_cif.py to test_cif.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_cfg.py to test_cfg.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_castep.py to test_castep.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_atoms_bytes.py to test_atoms_bytes.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_animate.py to test_animate.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_ace.py to test_ace.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/test_abinit.py to test_abinit.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/conftest.py to conftest.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/fio/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_utils_ff_vdw.py to test_utils_ff_vdw.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_tipnp.py to test_tipnp.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_tip4p.py to test_tip4p.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_rattle_linear.py to test_rattle_linear.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_rattle.py to test_rattle.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_qmmm_acn.py to test_qmmm_acn.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_qmmm.py to test_qmmm.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_forceqmmm.py to test_forceqmmm.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_counterions.py to test_counterions.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_combine_mm2.py to test_combine_mm2.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_combine_mm.py to test_combine_mm.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_aic.py to test_aic.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/test_acn.py to test_acn.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/forcefields/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_standardcomparator.py to test_standardcomparator.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_slab_operators.py to test_slab_operators.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_particle_operators.py to test_particle_operators.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_particle_mutations.py to test_particle_mutations.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_particle_comparators.py to test_particle_comparators.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_mutations.py to test_mutations.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_film_operators.py to test_film_operators.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_element_operators.py to test_element_operators.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_database_logic.py to test_database_logic.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_cutandsplicepairing.py to test_cutandsplicepairing.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_create_database.py to test_create_database.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_chain_operators.py to test_chain_operators.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_bulk_operators.py to test_bulk_operators.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_basic_example_main_run.py to test_basic_example_main_run.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/test_add_candidates.py to test_add_candidates.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/ga/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry/test_geometry_rdf.py to test_geometry_rdf.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry/test_geometry_derivatives.py to test_geometry_derivatives.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry/test_geometry.py to test_geometry.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry/test_distance.py to test_distance.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry/test_dimensionality.py to test_dimensionality.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry/test_analysis.py to test_analysis.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/geometry/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/gui/test_run.py to test_run.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/gui/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata/test_write_and_read.py to test_write_and_read.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata/test_read_connectivity.py to test_read_connectivity.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata/test_lammpsdata_write.py to test_lammpsdata_write.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata/test_lammpsdata_read.py to test_lammpsdata_read.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata/parse_lammps_data_file.py to parse_lammps_data_file.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata/conftest.py to conftest.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata/comparison.py to comparison.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/lammpsdata/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_verlet_thermostats_asap.py to test_verlet_thermostats_asap.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_velocity_distribution.py to test_velocity_distribution.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_phonon_md_init.py to test_phonon_md_init.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_nvt_npt.py to test_nvt_npt.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_md_logger_interval.py to test_md_logger_interval.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_md_logger.py to test_md_logger.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_md.py to test_md.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_maxwellboltzmann.py to test_maxwellboltzmann.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_langevin_switching.py to test_langevin_switching.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_langevin_com.py to test_langevin_com.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_langevin_asapcompat.py to test_langevin_asapcompat.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_idealgas.py to test_idealgas.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_fixrotation.py to test_fixrotation.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_ce_potentiostat.py to test_ce_potentiostat.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_ce_logging.py to test_ce_logging.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_ce_curvature.py to test_ce_curvature.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/test_CO2linear_Au111_langevin.py to test_CO2linear_Au111_langevin.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/md/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb/test_shared_calculator_neb.py to test_shared_calculator_neb.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb/test_precon_neb.py to test_precon_neb.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb/test_neb_tr.py to test_neb_tr.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb/test_interpolate_images.py to test_interpolate_images.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb/test_idpp.py to test_idpp.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb/test_dynamic_neb.py to test_dynamic_neb.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb/test_autoneb.py to test_autoneb.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb/test_COCu111_2.py to test_COCu111_2.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb/test_COCu111.py to test_COCu111.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neb/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neighbor/test_neighbor_kernel.py to test_neighbor_kernel.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neighbor/test_neighbor_initialization.py to test_neighbor_initialization.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neighbor/test_neighbor.py to test_neighbor.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/neighbor/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/test_replay.py to test_replay.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/test_optimizers.py to test_optimizers.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/test_optimizer_restart.py to test_optimizer_restart.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/test_optimize_stepwise.py to test_optimize_stepwise.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/test_nsteps.py to test_nsteps.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/test_minimahop.py to test_minimahop.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/test_maxstep.py to test_maxstep.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/test_fire2.py to test_fire2.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/test_fire.py to test_fire.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/test_climb_fix_internals.py to test_climb_fix_internals.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/test_cellawarebfgs.py to test_cellawarebfgs.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/test_bad_restart.py to test_bad_restart.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/optimize/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon/test_unitcellfilter.py to test_unitcellfilter.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon/test_smallcell.py to test_smallcell.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon/test_precon_assembly.py to test_precon_assembly.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon/test_lbfgs.py to test_lbfgs.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon/test_ff_and_precon_c60.py to test_ff_and_precon_c60.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon/test_amin.py to test_amin.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/precon/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spacegroup/test_spacegroup_utils.py to test_spacegroup_utils.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spacegroup/test_spacegroup_crystal.py to test_spacegroup_crystal.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spacegroup/test_spacegroup.py to test_spacegroup.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spacegroup/test_space_group_data.py to test_space_group_data.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/test/spacegroup/test_minerals.py to test_minerals.cpython-313.pyc
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byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils/cube.py to cube.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils/checkimports.py to checkimports.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils/cext.py to cext.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils/build_web_page.py to build_web_page.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils/arraywrapper.py to arraywrapper.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils/abc.py to abc.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/utils/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/vibrations.py to vibrations.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/resonant_raman.py to resonant_raman.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/raman.py to raman.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/placzek.py to placzek.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/pickle2json.py to pickle2json.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/infrared.py to infrared.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/franck_condon.py to franck_condon.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/data.py to data.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/albrecht.py to albrecht.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/x3d.py to x3d.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/viewers.py to viewers.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/sage.py to sage.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/plot.py to plot.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/paraview_script.py to paraview_script.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/ngl.py to ngl.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/mlab.py to mlab.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/__init__.py to __init__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/units.py to units.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/thermochemistry.py to thermochemistry.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/symbols.py to symbols.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/stress.py to stress.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/quaternions.py to quaternions.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/phonons.py to phonons.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/phasediagram.py to phasediagram.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/parallel.py to parallel.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/outputs.py to outputs.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/nomad.py to nomad.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/neighborlist.py to neighborlist.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/neb.py to neb.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/formula.py to formula.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/filters.py to filters.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/eos.py to eos.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dyneb.py to dyneb.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dimer.py to dimer.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/dependencies.py to dependencies.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/constraints.py to constraints.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/config.py to config.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/codes.py to codes.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/cell.py to cell.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/autoneb.py to autoneb.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/atoms.py to atoms.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/atom.py to atom.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__main__.py to __main__.cpython-313.pyc
byte-compiling /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__init__.py to __init__.cpython-313.pyc
writing byte-compilation script '/tmp/tmpfuxdpblk.py'
/usr/bin/python3 /tmp/tmpfuxdpblk.py
removing /tmp/tmpfuxdpblk.py
running install_egg_info
running egg_info
writing ase.egg-info/PKG-INFO
writing dependency_links to ase.egg-info/dependency_links.txt
writing entry points to ase.egg-info/entry_points.txt
writing requirements to ase.egg-info/requires.txt
writing top-level names to ase.egg-info/top_level.txt
reading manifest file 'ase.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
adding license file 'COPYING'
adding license file 'COPYING.LESSER'
writing manifest file 'ase.egg-info/SOURCES.txt'
Copying ase.egg-info to /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase-3.23.0-py3.13.egg-info
running install_scripts
Installing ase script to /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/bin
+ mkdir -p /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/share/applications
+ desktop-file-install --dir /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/share/applications ase-gui.desktop
+ mkdir -p /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/share/pixmaps
+ install -p -m 644 ase.png /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/share/pixmaps
+ mkdir /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/share
+ cp -rp /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/po /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/share/locale
+ /usr/lib/rpm/find-lang.sh /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT ag
+ rm -rf /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/gui/share
+ sed -i 's|share/locale|po|g' ag.lang
+ find /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase -type d
+ xargs -I _file echo '%dir _file'
+ find /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase -type f '!' -name '*.mo'
+ cat ag.lang d3.list f3.list
+ sed -i 's|/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT||g' files3.list
+ /usr/lib/rpm/check-buildroot
+ /usr/lib/rpm/redhat/brp-ldconfig
+ /usr/lib/rpm/brp-compress
+ /usr/lib/rpm/brp-strip /usr/bin/strip
+ /usr/lib/rpm/brp-strip-comment-note /usr/bin/strip /usr/bin/objdump
+ /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip
+ /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip
+ /usr/lib/rpm/check-rpaths
+ /usr/lib/rpm/redhat/brp-mangle-shebangs
+ /usr/lib/rpm/brp-remove-la-files
+ env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j4
Bytecompiling .py files below /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13 using python3.13
+ /usr/lib/rpm/redhat/brp-python-hardlink
+ /usr/bin/add-determinism --brp -j4 /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/units.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/thermochemistry.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/symbols.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/phonons.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/phonons.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/stress.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/phasediagram.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/phasediagram.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/outputs.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/outputs.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/parallel.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/quaternions.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/parallel.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/quaternions.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/nomad.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/nomad.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/neighborlist.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/neighborlist.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/neb.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/formula.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/formula.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/filters.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/eos.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/dyneb.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/dimer.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/dependencies.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/config.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/codes.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/codes.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/cell.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/cell.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/constraints.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/atoms.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/atoms.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/atom.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/autoneb.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/__main__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/__init__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/__pycache__/__init__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/__pycache__/atom.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/__pycache__/x3d.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/__pycache__/sage.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/__pycache__/plot.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/__pycache__/viewers.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/__pycache__/paraview_script.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/__pycache__/plot.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/__pycache__/ngl.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/visualize/__pycache__/mlab.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/__pycache__/vibrations.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/__pycache__/vibrations.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/vibrations/__pycache__/placzek.cpython-313.opt-1.pyc: rewriting with normalized contents
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/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole/__pycache__/reader.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole/__pycache__/__init__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole/__pycache__/writer.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole/__pycache__/executor.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta/__pycache__/siesta_lrtddft.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole/__pycache__/parameters.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta/__pycache__/parameters.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta/__pycache__/siesta.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta/__pycache__/parameters.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta/__pycache__/__init__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta/__pycache__/siesta.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/siesta/__pycache__/import_ion_xml.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/turbomole/__pycache__/parameters.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/__pycache__/writer.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/__pycache__/openmx.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/__pycache__/writer.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/__pycache__/dos.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/__pycache__/reader.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/__pycache__/default_settings.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/__pycache__/__init__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps/__pycache__/__init__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps/__pycache__/unitconvert_constants.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps/__pycache__/unitconvert.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps/__pycache__/inputwriter.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/__pycache__/parameters.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/lammps/__pycache__/coordinatetransform.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/__pycache__/neighborlist.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/__pycache__/kimmodel.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/__pycache__/kimpy_wrappers.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/__pycache__/kimpy_wrappers.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/__pycache__/kim.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/__pycache__/exceptions.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/__pycache__/__init__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/exciting/__pycache__/__init__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/kim/__pycache__/calculators.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/exciting/__pycache__/runner.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/demon/__pycache__/__init__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/demon/__pycache__/demon_io.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/exciting/__pycache__/exciting.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/openmx/__pycache__/reader.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/demon/__pycache__/demon.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/demon/__pycache__/demon.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/tube.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/surfaces_with_termination.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/tools.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/tools.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/supercells.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/supercells.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/rotate.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/root.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/surface.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/ribbon.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/molecule.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/calculators/exciting/__pycache__/exciting.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/surface.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/general_surface.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/bulk.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/connected.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/bulk.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/connected.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/attach.cpython-313.opt-1.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/attach.cpython-313.pyc: replacing with normalized version
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/__init__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/lib/python3.13/site-packages/ase/build/__pycache__/niggli.cpython-313.opt-1.pyc: rewriting with normalized contents
Scanned 269 directories and 3436 files,
               processed 1772 inodes,
               1766 modified (1300 replaced + 466 rewritten),
               0 unsupported format, 0 errors
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.Uq0tJw
+ umask 022
+ cd /builddir/build/BUILD/python-ase-3.23.0-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd ase-3.23.0
++ pwd
+ export PYTHONPATH=/builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib
+ PYTHONPATH=/builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib
++ pwd
+ export PATH=/builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin
+ PATH=/builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin
++ which python3
++ pwd
+ ln -s /usr/bin/python3 /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/bin/python
+ LC_ALL=C.UTF-8
+ ase test --verbose --pytest -W ignore -W once::DeprecationWarning
About to run pytest with these parameters:
    --capture=no
    -W
    ignore
    -W
    once::DeprecationWarning
============================= test session starts ==============================
platform linux -- Python 3.13.0rc1, pytest-8.3.1, pluggy-1.5.0

Libraries
=========

ase-3.23.0               /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase
numpy-1.26.4             /usr/lib64/python3.13/site-packages/numpy
scipy-1.11.3             /usr/lib64/python3.13/site-packages/scipy
matplotlib-3.9.1         /usr/lib64/python3.13/site-packages/matplotlib
spglib                   not installed
ase_ext                  not installed
flask                    not installed
psycopg2                 not installed
pyamg                    not installed


Calculators
===========
Config: No configuration file specified
Datafiles: ase-datafiles package not installed

  [ ] abinit           not installed: 'abinit'
  [ ] ace              cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] aims             not installed: 'aims'
  [ ] amber            cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] asap             not installed: asap3
  [ ] castep           not installed: 'castep'
  [ ] cp2k             not installed: 'cp2k'
  [ ] crystal          cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] demon            cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] demonnano        cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] dftb             not installed: No 'dftb' section
  [ ] dftd3            not installed: 'dftd3'
  [ ] dmol             cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] elk              not installed: No 'elk' section
  [ ] espresso         not installed: 'espresso'
  [ ] exciting         not installed: 'exciting'
  [ ] gamess_us        cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] gaussian         cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] gpaw             not installed: gpaw
  [ ] gromacs          not installed: 'gromacs'
  [ ] gulp             cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] hotbit           cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] lammpslib        not installed: missing python wrappers: cannot import lammps
  [ ] lammpsrun        not installed: 'lammps'
  [ ] mopac            not installed: No 'mopac' section
  [ ] nwchem           not installed: No 'nwchem' section
  [ ] octopus          not installed: 'octopus'
  [ ] onetep           cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] openmx           not installed: 'openmx'
  [ ] orca             not installed: 'orca'
  [ ] plumed           not installed: 
  [ ] psi4             not installed: psi4
  [ ] qchem            cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] siesta           not installed: No 'siesta' section
  [ ] turbomole        cfg=<ase.config.Config object at 0x7fb806cd2d50>
  [ ] vasp             not installed: 'vasp'

 * Use --calculators option to select calculators.

 * See "ase test --help-calculators" on how to configure calculators.

 * This listing only includes external calculators known by the test
   system.  Others are "configured" by setting an environment variable
   like "ASE_xxx_COMMAND" in order to allow tests to run.  Please see
   the documentation of that individual calculator.


rootdir: /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/test
configfile: pytest.ini
plugins: mock-3.14.0
ase.units
ase.thermochemistry
ase.symbols
ase.stress
ase.quaternions
ase.phonons
ase.phasediagram
ase.parallel
ase.outputs
ase.nomad
ase.neighborlist
ase.neb
ase.formula
ase.filters
ase.eos
ase.dyneb
ase.dimer
ase.dependencies
ase.constraints
ase.config
ase.codes
ase.cell
ase.autoneb
ase.atoms
ase.atom
ase.build.tube
ase.build.tools
ase.build.surfaces_with_termination
ase.build.surface
ase.build.supercells
ase.build.rotate
ase.build.root
ase.build.ribbon
ase.build.niggli
ase.build.molecule
ase.build.general_surface
ase.build.connected
ase.build.bulk
ase.build.attach
ase.calculators.vdwcorrection
ase.calculators.tip4p
ase.calculators.tip3p
ase.calculators.test
ase.calculators.subprocesscalculator
ase.calculators.socketio
ase.calculators.singlepoint
ase.calculators.qmmm
ase.calculators.qchem
ase.calculators.psi4
ase.calculators.polarizability
ase.calculators.plumed
ase.calculators.orca
ase.calculators.onetep
ase.calculators.octopus
ase.calculators.nwchem
ase.calculators.names
ase.calculators.morse
ase.calculators.mopac
ase.calculators.mixing
ase.calculators.loggingcalc
ase.calculators.lj
ase.calculators.lammpsrun
ase.calculators.lammpslib
ase.calculators.idealgas
ase.calculators.harmonic
ase.calculators.h2morse
ase.calculators.gulp
ase.calculators.gromacs
ase.calculators.genericfileio
ase.calculators.gaussian
ase.calculators.gamess_us
ase.calculators.fleur
ase.calculators.ff
ase.calculators.excitation_list
ase.calculators.espresso
ase.calculators.emt
ase.calculators.elk
ase.calculators.eam
ase.calculators.dmol
ase.calculators.dftd3
ase.calculators.dftb
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ase.calculators.vasp.create_input
collected 3275 items / 2 skipped

atoms/test_atom.py Li
H
Atoms(symbols='H', pbc=False)
.Global seed for "test/atoms/test_atom.py:test_atom" was: 4667
Atom('Si', [0.0, 0.0, 0.0], charge=7)
.Global seed for "test/atoms/test_atom.py:test_repr" was: 7900

atoms/test_atom_scaled_pos.py .Global seed for "test/atoms/test_atom_scaled_pos.py:test_abc_and_scaled_position" was: 10498
.Global seed for "test/atoms/test_atom_scaled_pos.py:test_set_scaled_position" was: 11416
.Global seed for "test/atoms/test_atom_scaled_pos.py:test_set_abc" was: 11600

atoms/test_atoms.py Atoms(symbols='', pbc=False)
Atoms(symbols='H2O', pbc=False)
.Global seed for "test/atoms/test_atoms.py:test_atoms" was: 11749
.Global seed for "test/atoms/test_atoms.py:test_numbers_input" was: 7095
.Global seed for "test/atoms/test_atoms.py:test_bad_array_shape" was: 8268
.Global seed for "test/atoms/test_atoms.py:test_set_masses" was: 3522
.Global seed for "test/atoms/test_atoms.py:test_get_com" was: 11843
.Global seed for "test/atoms/test_atoms.py:test_get_com" was: 11843
.Global seed for "test/atoms/test_atoms.py:test_get_com_indices" was: 8570
.Global seed for "test/atoms/test_atoms.py:test_get_com_indices" was: 8570
.Global seed for "test/atoms/test_atoms.py:test_get_com_indices" was: 8570
.Global seed for "test/atoms/test_atoms.py:test_set_com" was: 11009
.Global seed for "test/atoms/test_atoms.py:test_set_com" was: 11009
.Global seed for "test/atoms/test_atoms.py:test_set_com" was: 11009
.Global seed for "test/atoms/test_atoms.py:test_set_com" was: 11009

atoms/test_atoms_angle.py .Global seed for "test/atoms/test_atoms_angle.py:test_atoms_angle" was: 10970

atoms/test_atoms_distance.py .Global seed for "test/atoms/test_atoms_distance.py:test_atoms_distance" was: 5464
.Global seed for "test/atoms/test_atoms_distance.py:test_antisymmetry" was: 574

atoms/test_atoms_formula.py .Global seed for "test/atoms/test_atoms_formula.py:test_atoms_formula" was: 2970

atoms/test_atoms_get_duplicates.py .Global seed for "test/atoms/test_atoms_get_duplicates.py:test_atoms_get_duplicates" was: 10981

atoms/test_atoms_get_positions.py .Global seed for "test/atoms/test_atoms_get_positions.py:test_positions" was: 8985
.Global seed for "test/atoms/test_atoms_get_positions.py:test_positions_wrapped" was: 10078
.Global seed for "test/atoms/test_atoms_get_positions.py:test_wrapped_positions" was: 6818

atoms/test_atoms_getitem.py .Global seed for "test/atoms/test_atoms_getitem.py:test_h2o_getitem" was: 1615
.Global seed for "test/atoms/test_atoms_getitem.py:test_getitem" was: 10435
.Global seed for "test/atoms/test_atoms_getitem.py:test_getitem" was: 10435
.Global seed for "test/atoms/test_atoms_getitem.py:test_getitem" was: 10435
.Global seed for "test/atoms/test_atoms_getitem.py:test_getitem" was: 10435
.Global seed for "test/atoms/test_atoms_getitem.py:test_getitem" was: 10435
.Global seed for "test/atoms/test_atoms_getitem.py:test_getitem" was: 10435
.Global seed for "test/atoms/test_atoms_getitem.py:test_getitem" was: 10435
.Global seed for "test/atoms/test_atoms_getitem.py:test_getitem" was: 10435
.Global seed for "test/atoms/test_atoms_getitem.py:test_getitem" was: 10435
.Global seed for "test/atoms/test_atoms_getitem.py:test_getitem" was: 10435
.Global seed for "test/atoms/test_atoms_getitem.py:test_getitem" was: 10435
.Global seed for "test/atoms/test_atoms_getitem.py:test_getitem" was: 10435

atoms/test_atoms_indices.py .Global seed for "test/atoms/test_atoms_indices.py:test_species_index" was: 1679

atoms/test_atoms_info_copy.py .Global seed for "test/atoms/test_atoms_info_copy.py:test_atoms_info_copy" was: 5671

atoms/test_atoms_instantiation.py .Global seed for "test/atoms/test_atoms_instantiation.py:test_atoms" was: 2122
.Global seed for "test/atoms/test_atoms_instantiation.py:test_symbols" was: 2912
.Global seed for "test/atoms/test_atoms_instantiation.py:test_momenta" was: 11193
.Global seed for "test/atoms/test_atoms_instantiation.py:test_positions" was: 2502

atoms/test_build.py [[1. 1. 1.]] [[1. 1. 1.]]
[0. 0. 0. 0. 0. 1.]
29
[29 29]
[29 29  6]
[29 29  6]
['Cu', 'Cu', 'Cu', 'Cu', 'C', 'H']
['Cu', 'Cu', 'Cu', 'C', 'H']
['Cu', 'Cu', 'Cu']
.Global seed for "test/atoms/test_build.py:test_build" was: 5647

atoms/test_center.py .Global seed for "test/atoms/test_center.py:test_vacuum_one_direction" was: 9051
.Global seed for "test/atoms/test_center.py:test_vacuum_all_directions" was: 2014
.Global seed for "test/atoms/test_center.py:test_general_unit_cell" was: 3827
.Global seed for "test/atoms/test_center.py:test_vacuum_one_direction_guc" was: 4357
.Global seed for "test/atoms/test_center.py:test_center_empty" was: 10316
.Global seed for "test/atoms/test_center.py:test_center_nocell" was: 8878
.Global seed for "test/atoms/test_center.py:test_center_about1" was: 11499
.Global seed for "test/atoms/test_center.py:test_center_about2" was: 2966
.Global seed for "test/atoms/test_center.py:test_center_about3" was: 6778
.Global seed for "test/atoms/test_center.py:test_center_about4" was: 10590
.Global seed for "test/atoms/test_center.py:test_center_about_fail" was: 9130

atoms/test_center_nonperiodic.py Cell([0.0, 0.0, 0.0])
[[0. 0. 0.]]
Atoms(symbols='H', pbc=False, cell=[0.0, 2.0, 0.0])
[[0. 1. 0.]]
[[ 0. -1.  1.]]
[[ 0. -1.  2.]]
Cell([0.0, 2.0, 4.0])
.Global seed for "test/atoms/test_center_nonperiodic.py:test_center_nonperiodic" was: 3114

atoms/test_compare_atoms.py .Global seed for "test/atoms/test_compare_atoms.py:test_compare_atoms" was: 7232

atoms/test_deprecated_get_set.py .Global seed for "test/atoms/test_deprecated_get_set.py:test_set_calculator" was: 9391
.Global seed for "test/atoms/test_deprecated_get_set.py:test_get_calculator" was: 11071
.Global seed for "test/atoms/test_deprecated_get_set.py:test_del_calculator" was: 3632

atoms/test_get_angles.py .Global seed for "test/atoms/test_get_angles.py:test_get_angles" was: 10768

atoms/test_h2.py .Global seed for "test/atoms/test_h2.py:test_h2" was: 445

atoms/test_mic.py .Global seed for "test/atoms/test_mic.py:test_mic" was: 6439

atoms/test_momenta_velocities.py .Global seed for "test/atoms/test_momenta_velocities.py:test_momenta_fixatoms" was: 2385
.Global seed for "test/atoms/test_momenta_velocities.py:test_momenta_hookean" was: 11990
.Global seed for "test/atoms/test_momenta_velocities.py:test_get_set_velocities" was: 1477

atoms/test_permute_axes.py .Global seed for "test/atoms/test_permute_axes.py:test_permute_axes" was: 7450

atoms/test_rotate.py 10z
0.0x,0.0y,10.0z
155x,43y,190z
155.0x,43.0y,-170.0z
55x,90y,190z
55.0x,90.0y,-170.0z
180x,-90y,45z
180.0x,-90.0y,45.0z
-180y
180.0x,-7.016709298534876e-15y,180.0z
40z,50x
42.39408604486465x,-29.49870423110366y,28.340774423333194z
.Global seed for "test/atoms/test_rotate.py:test_rotate" was: 10897

atoms/test_rotate_euler.py .Global seed for "test/atoms/test_rotate_euler.py:test_rotate_euler" was: 8639

atoms/test_scaled_positions.py .Global seed for "test/atoms/test_scaled_positions.py:test_scaled_positions" was: 1998

atoms/test_set_get_angle.py .Global seed for "test/atoms/test_set_get_angle.py:test_set_get_angle" was: 1834

bandstructure/test_bandpath.py .Global seed for "test/bandstructure/test_bandpath.py:test_cartesian_kpts" was: 1352
.Global seed for "test/bandstructure/test_bandpath.py:test_interpolate_npoints" was: 9732
.Global seed for "test/bandstructure/test_bandpath.py:test_interpolate_density" was: 10241
.Global seed for "test/bandstructure/test_bandpath.py:test_zero_npoints" was: 4284
BandPath(path='KK1,KpointKpoint1', cell=[3x3], special_points={KK1KpointKpoint1}, kpts=[42x3])
.Global seed for "test/bandstructure/test_bandpath.py:test_custom_points" was: 11260
.Global seed for "test/bandstructure/test_bandpath.py:test_autolabel_kpoints" was: 4764
.Global seed for "test/bandstructure/test_bandpath.py:test_bad_kpointlist" was: 9424

bandstructure/test_bandstructure.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bandstructure0
['G', 'X', 'W', 'K', 'G', 'L', 'U', 'W', 'L', 'K', 'U', 'X']
['G', 'X', 'W', 'K', 'G', 'L', 'U', 'W', 'L', 'K', 'U', 'X']
.Global seed for "test/bandstructure/test_bandstructure.py:test_bandstructure" was: 5604
BandStructure(path=BandPath(path='GLB1,BZGX,QFP1Z,LP', cell=[3x3], special_points={BB1FGLL1PP1P2QXZ}, kpts=[33x3]), energies=[1x33x20 values], reference=0.0)
.Global seed for "test/bandstructure/test_bandstructure.py:test_print_bs" was: 2884
.Global seed for "test/bandstructure/test_bandstructure.py:test_subtract_ref" was: 687

bandstructure/test_bandstructure_json.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bandstructure_json0
.Global seed for "test/bandstructure/test_bandstructure_json.py:test_bandstructure_json" was: 4948

bandstructure/test_bandstructure_many.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_CUB0
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_FCC0
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_BCC0
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_TET0
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_BCT0
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_BCT1
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_ORC0
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_ORC1
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_ORC2
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_ORC3
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_ORC4
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_ORC5
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_HEX0
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_RHL0
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_RHL1
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_MCL0
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_MCL1
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_MCL2
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_MCL3
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_TRI0
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_TRI1
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_TRI2
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lattice_bandstructure_TRI3
.Global seed for "test/bandstructure/test_bandstructure_many.py:test_lattice_bandstructure" was: 5955

bandstructure/test_bandstructure_transform_mcl.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bandstructure_transform_m0
[  3.   5.   4.  90. 110.  90.]
[ 5.  3.  4. 70. 90. 90.]
.Global seed for "test/bandstructure/test_bandstructure_transform_mcl.py:test_bandstructure_transform_mcl" was: 10146

bandstructure/test_resolve_custom_kpoints.py .Global seed for "test/bandstructure/test_resolve_custom_kpoints.py:test_str" was: 2148
.Global seed for "test/bandstructure/test_resolve_custom_kpoints.py:test_recognize_points_from_coords" was: 5982
.Global seed for "test/bandstructure/test_resolve_custom_kpoints.py:test_autolabel_points_from_coords" was: 7758
.Global seed for "test/bandstructure/test_resolve_custom_kpoints.py:test_autolabel_points_from_coords" was: 7758
.Global seed for "test/bandstructure/test_resolve_custom_kpoints.py:test_bad_shape" was: 10906

bravais/test_2d_cell_pbc.py [ 1.          1.00498756  0.         90.         90.         84.28940686]
OBL(a=1, b=1.00499, alpha=84.2894)
.Global seed for "test/bravais/test_2d_cell_pbc.py:test_obl" was: 10723
MCL(a=7, b=1, c=1.00499, alpha=84.2894)
OBL(a=1, b=1.00499, alpha=84.2894)
BandPath(path='GYHCEM1AXH1,MDZ,YD', cell=[3x3], special_points={ACDD1EGHH1H2MM1M2XYY1Z}, kpts=[99x3])
BandPath(path='GYHCH1XG', cell=[3x3], special_points={CGHH1XY}, kpts=[64x3])
.Global seed for "test/bravais/test_2d_cell_pbc.py:test_mcl_obl" was: 3956
.Global seed for "test/bravais/test_2d_cell_pbc.py:test_2d_bandpath_handedness" was: 11389
.Global seed for "test/bravais/test_2d_cell_pbc.py:test_2d_bandpath_handedness" was: 11389

bravais/test_bravais_type_engine.py Working on LINE...
Found 1 ops for LINE
                       [1 0 0 0 1 0 0 0 1]: 1

{'LINE': [(1, 0, 0, 0, 1, 0, 0, 0, 1)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on SQR...
Found 1 ops for SQR
                       [1 0 0 0 1 0 0 0 1]: 1

{'SQR': [(1, 0, 0, 0, 1, 0, 0, 0, 1)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on RECT...
Found 1 ops for RECT
                       [1 0 0 0 1 0 0 0 1]: 15

{'RECT': [(1, 0, 0, 0, 1, 0, 0, 0, 1)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on CRECT...
Found 2 ops for CRECT
              [-1  1  0  1  0  0  0  0 -1]: 11
              [ 1  0  0  0 -1  0  0  0 -1]: 10

{'CRECT': [(-1, 1, 0, 1, 0, 0, 0, 0, -1), (1, 0, 0, 0, -1, 0, 0, 0, -1)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on HEX2D...
Found 1 ops for HEX2D
                       [1 0 0 0 1 0 0 0 1]: 1

{'HEX2D': [(1, 0, 0, 0, 1, 0, 0, 0, 1)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on OBL...
Found 20 ops for OBL
              [-1  1  0  1  0  0  0  0 -1]: 15
              [ 1 -1  0  0  1  0  0  0  1]: 51
              [ 1  0  0  0 -1  0  0  0 -1]: 51
              [-1 -1  0  1  0  0  0  0  1]: 8
              [ 1  1  0  0 -1  0  0  0 -1]: 40
              [ 1 -2  0  0  1  0  0  0  1]: 32
              [ 1  2  0  0 -1  0  0  0 -1]: 26
              [ 1 -3  0  0  1  0  0  0  1]: 19
              [ 1  3  0  0 -1  0  0  0 -1]: 15
              [ 1 -4  0  0  1  0  0  0  1]: 12
              [ 1 -5  0  0  1  0  0  0  1]: 7
              [ 1  4  0  0 -1  0  0  0 -1]: 10
              [ 1  5  0  0 -1  0  0  0 -1]: 8
              [ 1  6  0  0 -1  0  0  0 -1]: 6
              [ 1 -6  0  0  1  0  0  0  1]: 4
              [ 1  7  0  0 -1  0  0  0 -1]: 4
              [ 1 -7  0  0  1  0  0  0  1]: 3
              [ 1 -9  0  0  1  0  0  0  1]: 1
              [ 1  8  0  0 -1  0  0  0 -1]: 2
              [ 1 -8  0  0  1  0  0  0  1]: 1

{'OBL': [(-1, 1, 0, 1, 0, 0, 0, 0, -1),
         (1, -1, 0, 0, 1, 0, 0, 0, 1),
         (1, 0, 0, 0, -1, 0, 0, 0, -1),
         (-1, -1, 0, 1, 0, 0, 0, 0, 1),
         (1, 1, 0, 0, -1, 0, 0, 0, -1)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on BCC...
Found 1 ops for BCC
                       [1 0 0 0 1 0 0 0 1]: 1

{'BCC': [(1, 0, 0, 0, 1, 0, 0, 0, 1)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on BCT...
Found 5 ops for BCT
              [ 1  1  0  1  0  0  0  0 -1]: 14
                       [1 0 0 0 1 0 0 0 1]: 1
                       [0 1 0 0 0 1 1 0 0]: 2
              [ 0  1  0  1  0  0  1  1 -1]: 4
              [-1  0  1  0  1  0 -1  1  0]: 9

{'BCT': [(1, 1, 0, 1, 0, 0, 0, 0, -1),
         (1, 0, 0, 0, 1, 0, 0, 0, 1),
         (0, 1, 0, 0, 0, 1, 1, 0, 0),
         (0, 1, 0, 1, 0, 0, 1, 1, -1),
         (-1, 0, 1, 0, 1, 0, -1, 1, 0)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on CUB...
Found 1 ops for CUB
                       [1 0 0 0 1 0 0 0 1]: 1

{'CUB': [(1, 0, 0, 0, 1, 0, 0, 0, 1)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on FCC...
Found 1 ops for FCC
                       [1 0 0 0 1 0 0 0 1]: 1

{'FCC': [(1, 0, 0, 0, 1, 0, 0, 0, 1)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on HEX...
Found 2 ops for HEX
                       [0 1 0 0 0 1 1 0 0]: 15
                       [1 0 0 0 1 0 0 0 1]: 15

{'HEX': [(0, 1, 0, 0, 0, 1, 1, 0, 0), (1, 0, 0, 0, 1, 0, 0, 0, 1)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on ORC...
Found 1 ops for ORC
                       [1 0 0 0 1 0 0 0 1]: 105

{'ORC': [(1, 0, 0, 0, 1, 0, 0, 0, 1)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on ORCC...
Found 5 ops for ORCC
                       [0 1 0 0 0 1 1 0 0]: 41
                       [1 0 0 0 1 0 0 0 1]: 49
              [ 0 -1  1  0 -1  0  1  0  0]: 180
              [-1  1  0 -1  0  0  0  0  1]: 122
              [ 1  0 -1  1  0  0  0 -1  0]: 58

{'ORCC': [(0, 1, 0, 0, 0, 1, 1, 0, 0),
          (1, 0, 0, 0, 1, 0, 0, 0, 1),
          (0, -1, 1, 0, -1, 0, 1, 0, 0),
          (-1, 1, 0, -1, 0, 0, 0, 0, 1),
          (1, 0, -1, 1, 0, 0, 0, -1, 0)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on ORCF...
Found 2 ops for ORCF
              [ 0 -1  0  0  1 -1  1  0  0]: 39
              [-1  0  0  1  0  1  1  1  0]: 66

{'ORCF': [(0, -1, 0, 0, 1, -1, 1, 0, 0), (-1, 0, 0, 1, 0, 1, 1, 1, 0)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on ORCI...
Found 4 ops for ORCI
              [ 0  0 -1  0 -1  0 -1  0  0]: 1
              [ 0  0  1 -1  0  0 -1 -1  0]: 35
              [ 0  1  0  1  0  0  1  1 -1]: 9
              [ 0 -1  0  1  0 -1  1 -1  0]: 60

{'ORCI': [(0, 0, -1, 0, -1, 0, -1, 0, 0),
          (0, 0, 1, -1, 0, 0, -1, -1, 0),
          (0, 1, 0, 1, 0, 0, 1, 1, -1),
          (0, -1, 0, 1, 0, -1, 1, -1, 0)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on RHL...
Found 3 ops for RHL
              [ 0 -1  0  1  1  1 -1  0  0]: 11
                       [1 0 0 0 1 0 0 0 1]: 17
              [ 1 -1  0  1  0 -1  1  0  0]: 4

{'RHL': [(0, -1, 0, 1, 1, 1, -1, 0, 0),
         (1, 0, 0, 0, 1, 0, 0, 0, 1),
         (1, -1, 0, 1, 0, -1, 1, 0, 0)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487
Working on TET...
Found 2 ops for TET
                       [0 1 0 0 0 1 1 0 0]: 15
                       [1 0 0 0 1 0 0 0 1]: 15

{'TET': [(0, 1, 0, 0, 0, 1, 1, 0, 0), (1, 0, 0, 0, 1, 0, 0, 0, 1)]}
.Global seed for "test/bravais/test_bravais_type_engine.py:test_generate_niggli_table" was: 5487

bravais/test_eps.py MCLC(a=4.41858, b=4.41866, c=7.12772, alpha=21.5832)
BCT(a=3.12444, c=5.24389)
.Global seed for "test/bravais/test_eps.py:test_bravais_eps" was: 3199
MCLC(a=3.07972, b=12.4412, c=12.4412, alpha=27.2904)
.Global seed for "test/bravais/test_eps.py:test_mclc_eps" was: 5020

bravais/test_hex.py .Global seed for "test/bravais/test_hex.py:test_bravais_hex" was: 9837

bravais/test_lattices.py .Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
.Global seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
CUB
a 3.0
cell Cell([3.0, 3.0, 3.0])
cellpar [ 3.  3.  3. 90. 90. 90.]
special path GXMGRX,MR
CUB(a=3)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
FCC
a 3.0
cell Cell([[0.0, 1.5, 1.5], [1.5, 0.0, 1.5], [1.5, 1.5, 0.0]])
cellpar [ 2.12132034  2.12132034  2.12132034 60.         60.         60.        ]
special path GXWKGLUWLK,UX
FCC(a=3)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
BCC
a 3.0
cell Cell([[-1.5, 1.5, 1.5], [1.5, -1.5, 1.5], [1.5, 1.5, -1.5]])
cellpar [  2.59807621   2.59807621   2.59807621 109.47122063 109.47122063
 109.47122063]
special path GHNGPH,PN
BCC(a=3)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
TET
a 3.0
c 5.0
cell Cell([3.0, 3.0, 5.0])
cellpar [ 3.  3.  5. 90. 90. 90.]
special path GXMGZRAZ,XR,MA
TET(a=3, c=5)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
BCT1
a 6.0
c 5.0
cell Cell([[-3.0, 3.0, 2.5], [3.0, -3.0, 2.5], [3.0, 3.0, -2.5]])
cellpar [  4.9244289    4.9244289    4.9244289  104.93552705 104.93552705
 118.98208227]
special path GXMGZPNZ1M,XP
BCT(a=6, c=5)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
BCT2
a 3.0
c 5.0
cell Cell([[-1.5, 1.5, 2.5], [1.5, -1.5, 2.5], [1.5, 1.5, -2.5]])
cellpar [  3.27871926   3.27871926   3.27871926 125.548744   125.548744
  80.63108442]
special path GXYSGZS1NPY1Z,XP
BCT(a=3, c=5)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
ORC
a 3.0
b 4.0
c 5.0
cell Cell([3.0, 4.0, 5.0])
cellpar [ 3.  4.  5. 90. 90. 90.]
special path GXSYGZURTZ,YT,UX,SR
ORC(a=3, b=4, c=5)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
ORCF1
a 1.5617376188860606
b 4.0
c 5.0
cell Cell([[0.0, 2.0, 2.5], [0.7808688094430303, 0.0, 2.5], [0.7808688094430303, 2.0, 0.0]])
cellpar [ 3.20156212  2.61911361  2.14703426 83.77498756 54.41469754 41.8103149 ]
special path GYTZGXA1Y,TX1,XAZ,LG
ORCF(a=1.56174, b=4, c=5)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
ORCF2
a 3.748170285326545
b 4.0
c 5.0
cell Cell([[0.0, 2.0, 2.5], [1.8740851426632725, 0.0, 2.5], [1.8740851426632725, 2.0, 0.0]])
cellpar [ 3.20156212  3.12445117  2.7408384  65.78700296 62.88085723 51.33213981]
special path GYCDXGZD1HC,C1Z,XH1,HY,LG
ORCF(a=3.74817, b=4, c=5)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
ORCF3
a 3.123475237772121
b 4.0
c 5.0
cell Cell([[0.0, 2.0, 2.5], [1.5617376188860606, 0.0, 2.5], [1.5617376188860606, 2.0, 0.0]])
cellpar [ 3.20156212  2.94771511  2.53752328 70.96914281 60.5037915  48.52706569]
special path GYTZGXA1Y,XAZ,LG
ORCF(a=3.12348, b=4, c=5)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
ORCI
a 3.0
b 4.0
c 5.0
cell Cell([[-1.5, 2.0, 2.5], [1.5, -2.0, 2.5], [1.5, 2.0, -2.5]])
cellpar [  3.53553391   3.53553391   3.53553391 129.7918195  111.10019602
  90.        ]
special path GXLTWRX1ZGYSW,L1Y,Y1Z
ORCI(a=3, b=4, c=5)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
ORCC
a 3.0
b 4.0
c 5.0
cell Cell([[1.5, -2.0, 0.0], [1.5, 2.0, 0.0], [0.0, 0.0, 5.0]])
cellpar [  2.5          2.5          5.          90.          90.
 106.26020471]
special path GXSRAZGYX1A1TY,ZT
ORCC(a=3, b=4, c=5)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
HEX
a 3.0
c 5.0
cell Cell([[1.5, -2.598076211353316, 0.0], [1.5, 2.598076211353316, 0.0], [0.0, 0.0, 5.0]])
cellpar [  3.   3.   5.  90.  90. 120.]
special path GMKGALHA,LM,KH
HEX(a=3, c=5)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
RHL1
a 3.0
alpha 55.0
cell Cell([[2.6610324995346653, -1.3852458397051017, 0.0], [2.6610324995346653, 1.3852458397051017, 0.0], [1.9399191584703033, 0.0, 2.2883866934152253]])
cellpar [ 3.  3.  3. 55. 55. 55.]
special path GLB1,BZGX,QFP1Z,LP
RHL(a=3, alpha=55)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
RHL2
a 3.0
alpha 105.0
cell Cell([[1.826284287026162, -2.3800600208737057, 0.0], [1.826284287026162, 2.3800600208737057, 0.0], [-1.2754703210614213, 0.0, 2.7153591769950944]])
cellpar [  3.   3.   3. 105. 105. 105.]
special path GPZQGFP1Q1LZ
RHL(a=3, alpha=105)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
MCL
a 3.0
b 4.0
c 5.0
alpha 70.0
cell Cell([[3.0, 0.0, 0.0], [0.0, 4.0, 0.0], [0.0, 1.7101007166283442, 4.698463103929542]])
cellpar [ 3.  4.  5. 70. 90. 90.]
special path GYHCEM1AXH1,MDZ,YD
MCL(a=3, b=4, c=5, alpha=70)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
MCLC1
a 3.0
b 4.0
c 5.0
alpha 80.0
cell Cell([[1.5, 2.0, 0.0], [-1.5, 2.0, 0.0], [0.0, 0.8682408883346521, 4.92403876506104]])
cellpar [ 2.5         2.5         5.         82.01472822 82.01472822 73.73979529]
special path GYFLI,I1ZF1,YX1,XGN,MG
MCLC(a=3, b=4, c=5, alpha=80)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
MCLC3
a 5.4
b 4.0
c 10.0
alpha 80.0
cell Cell([[2.7, 2.0, 0.0], [-2.7, 2.0, 0.0], [0.0, 1.7364817766693041, 9.84807753012208]])
cellpar [  3.36005952   3.36005952  10.          84.0673023   84.0673023
 106.94228927]
special path GYFHZIF1,H1Y1XGN,MG
MCLC(a=5.4, b=4, c=10, alpha=80)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
MCLC5
a 4.0
b 4.0
c 4.4
alpha 70.0
cell Cell([[2.0, 2.0, 0.0], [-2.0, 2.0, 0.0], [0.0, 1.504888630632943, 4.134647531457997]])
cellpar [ 2.82842712  2.82842712  4.4        76.00455464 76.00455464 90.        ]
special path GYFLI,I1ZHF1,H1Y1XGN,MG
MCLC(a=4, b=4, c=4.4, alpha=70)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
TRI1a
a 4.6989399557768285
b 4.248873823123457
c 3.816740973158153
alpha 52.808928172205455
beta 59.81287523174559
gamma 64.94308436907448
cell Cell([[4.6989399557768285, 0.0, 0.0], [1.7994760209596912, 3.849001794597506, 0.0], [1.9191555212352258, 1.6495721976846434, 2.857142857142857]])
cellpar [ 4.69893996  4.24887382  3.81674097 52.80892817 59.81287523 64.94308437]
special path XGY,LGZ,NGM,RG
TRI(a=4.69894, b=4.24887, c=3.81674, alpha=52.8089, beta=59.8129, gamma=64.9431)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
TRI1b
a 4.6210361858277755
b 4.353462305267801
c 4.048957176992956
alpha 125.43108863021611
beta 112.90382343192934
gamma 91.78168190269837
cell Cell([[4.6210361858277755, 0.0, 0.0], [-0.13535438518689638, 4.3513576311075965, 0.0], [-1.5757951048971695, -2.397427517649375, 2.8571428571428563]])
cellpar [  4.62103619   4.35346231   4.04895718 125.43108863 112.90382343
  91.7816819 ]
special path XGY,LGZ,NGM,RG
TRI(a=4.62104, b=4.35346, c=4.04896, alpha=125.431, beta=112.904, gamma=91.7817)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
TRI2a
a 4.353927019882799
b 3.9369063483833444
c 3.5910584813733157
alpha 57.85329859951989
beta 66.7383389733717
gamma 77.86954215542337
cell Cell([[4.353927019882799, 0.0, 0.0], [0.8272948574276768, 3.849001794597503, 0.0], [1.4182197555903027, 1.649572197684645, 2.8571428571428585]])
cellpar [ 4.35392702  3.93690635  3.59105848 57.8532986  66.73833897 77.86954216]
special path XGY,LGZ,NGM,RG
TRI(a=4.35393, b=3.93691, c=3.59106, alpha=57.8533, beta=66.7383, gamma=77.8695)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
TRI2b
a 5.279738173763637
b 4.97402318373018
c 4.923006212712103
alpha 137.92148593329694
beta 130.74575661832304
gamma 61.023267768850914
cell Cell([[5.279738173763637, 0.0, 0.0], [2.409687406799274, 4.351357631107596, 0.0], [-3.2132640977512383, -2.397427517649372, 2.857142857142858]])
cellpar [  5.27973817   4.97402318   4.92300621 137.92148593 130.74575662
  61.02326777]
special path XGY,LGZ,NGM,RG
TRI(a=5.27974, b=4.97402, c=4.92301, alpha=137.921, beta=130.746, gamma=61.0233)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
OBL
a 3.0
b 3.35
alpha 77.85
cell Cell([[3.0, 0.0, 0.0], [0.7050803954013746, 3.2749597915120487, 0.0], [0.0, 0.0, 0.0]])
cellpar [ 3.    3.35  0.   90.   90.   77.85]
special path GYHCH1XG
OBL(a=3, b=3.35, alpha=77.85)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
RECT
a 3.0
b 4.0
cell Cell([3.0, 4.0, 0.0])
cellpar [ 3.  4.  0. 90. 90. 90.]
special path GXSYGS
RECT(a=3, b=4)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
CRECT
a 3.0
alpha 55.0
cell Cell([[3.0, 0.0, 0.0], [1.7207293090531386, 2.4574561328669753, 0.0], [0.0, 0.0, 0.0]])
cellpar [ 3.  3.  0. 90. 90. 55.]
special path GXA1YG
CRECT(a=3, alpha=55)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
HEX2D
a 3.0
cell Cell([[3.0, 0.0, 0.0], [-1.5, 2.598076211353316, 0.0], [0.0, 0.0, 0.0]])
cellpar [  3.   3.   0.  90.  90. 120.]
special path GMKG
HEX2D(a=3)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
SQR
a 3.0
cell Cell([3.0, 3.0, 0.0])
cellpar [ 3.  3.  0. 90. 90. 90.]
special path MGXM
SQR(a=3)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934
LINE
a 3.0
cell Cell([3.0, 0.0, 0.0])
cellpar [ 3.  0.  0. 90. 90. 90.]
special path GX
LINE(a=3)
.Global seed for "test/bravais/test_lattices.py:test_variants" was: 1934

bravais/test_line_lattice.py [[0.  0.  0. ]
 [0.5 0.  0. ]]
[[0.  0.  0. ]
 [0.  0.  0.5]]
.Global seed for "test/bravais/test_line_lattice.py:test_line_lattice" was: 425

bravais/test_main.py cub@012 --> cub OK [ 3.3  3.3  3.3 90.  90.  90. ]
cub@201 --> cub OK [ 3.3  3.3  3.3 90.  90.  90. ]
cub@120 --> cub OK [ 3.3  3.3  3.3 90.  90.  90. ]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
fcc@012 --> fcc OK [ 2.40416306  2.40416306  2.40416306 60.         60.         60.        ]
fcc@201 --> fcc OK [ 2.40416306  2.40416306  2.40416306 60.         60.         60.        ]
fcc@120 --> fcc OK [ 2.40416306  2.40416306  2.40416306 60.         60.         60.        ]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
fcc@012 --> fcc OK [ 2.88499567  2.88499567  2.88499567 60.         60.         60.        ]
fcc@201 --> fcc OK [ 2.88499567  2.88499567  2.88499567 60.         60.         60.        ]
fcc@120 --> fcc OK [ 2.88499567  2.88499567  2.88499567 60.         60.         60.        ]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
bcc@012 --> bcc OK [  3.03108891   3.03108891   3.03108891 109.47122063 109.47122063
 109.47122063]
bcc@201 --> bcc OK [  3.03108891   3.03108891   3.03108891 109.47122063 109.47122063
 109.47122063]
bcc@120 --> bcc OK [  3.03108891   3.03108891   3.03108891 109.47122063 109.47122063
 109.47122063]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
bcc@012 --> bcc OK [  2.48549291   2.48549291   2.48549291 109.47122063 109.47122063
 109.47122063]
bcc@201 --> bcc OK [  2.48549291   2.48549291   2.48549291 109.47122063 109.47122063
 109.47122063]
bcc@120 --> bcc OK [  2.48549291   2.48549291   2.48549291 109.47122063 109.47122063
 109.47122063]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
tet@012 --> tet OK [ 4.  4.  5. 90. 90. 90.]
tet@201 --> tet OK [ 5.  4.  4. 90. 90. 90.]
tet@120 --> tet OK [ 4.  5.  4. 90. 90. 90.]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
tet@012 --> tet OK [ 4.  5.  5. 90. 90. 90.]
tet@201 --> tet OK [ 5.  4.  5. 90. 90. 90.]
tet@120 --> tet OK [ 5.  5.  4. 90. 90. 90.]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
tet@012 --> tet OK [ 5.  4.  5. 90. 90. 90.]
tet@201 --> tet OK [ 5.  5.  4. 90. 90. 90.]
tet@120 --> tet OK [ 4.  5.  5. 90. 90. 90.]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
tet@012 --> tet OK [ 5.  5.  4. 90. 90. 90.]
tet@201 --> tet OK [ 4.  5.  5. 90. 90. 90.]
tet@120 --> tet OK [ 5.  4.  5. 90. 90. 90.]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
bct@012 --> bct OK [  2.91547595   2.91547595   2.91547595 118.07248694 118.07248694
  93.37228668]
bct@201 --> bct OK [  2.91547595   2.91547595   2.91547595  93.37228668 118.07248694
 118.07248694]
bct@120 --> bct OK [  2.91547595   2.91547595   2.91547595 118.07248694  93.37228668
 118.07248694]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
orc@012 --> orc OK [ 3.  4.  5. 90. 90. 90.]
orc@201 --> orc OK [ 5.  3.  4. 90. 90. 90.]
orc@120 --> orc OK [ 4.  5.  3. 90. 90. 90.]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
orcf@012 --> orcf OK [ 4.30116263  4.03112887  3.20156212 71.94465426 63.0076985  45.04764724]
orcf@201 --> orcf OK [ 3.20156212  4.30116263  4.03112887 45.04764724 71.94465426 63.0076985 ]
orcf@120 --> orcf OK [ 4.03112887  3.20156212  4.30116263 63.0076985  45.04764724 71.94465426]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
orci@012 --> orci OK [  4.03112887   4.03112887   4.03112887 151.27339465 103.3423638
  83.81769576]
orci@201 --> orci OK [  4.03112887   4.03112887   4.03112887  83.81769576 151.27339465
 103.3423638 ]
orci@120 --> orci OK [  4.03112887   4.03112887   4.03112887 103.3423638   83.81769576
 151.27339465]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
orcc@012 --> orcc OK [  2.5          2.5          5.          90.          90.
 106.26020471]
orcc@201 --> orcc OK [  5.           2.5          2.5        106.26020471  90.
  90.        ]
orcc@120 --> orcc OK [  2.5          5.           2.5         90.         106.26020471
  90.        ]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
hex@012 --> hex OK [ 2.88499567  2.88499567  7.06676729 90.         90.         60.        ]
hex@201 --> hex OK [ 7.06676729  2.88499567  2.88499567 60.         90.         90.        ]
hex@120 --> hex OK [ 2.88499567  7.06676729  2.88499567 90.         60.         90.        ]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
hex@012 --> hex OK [  5.   5.   6.  90.  90. 120.]
hex@201 --> hex OK [  6.   5.   5. 120.  90.  90.]
hex@120 --> hex OK [  5.   6.   5.  90. 120.  90.]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
rhl@012 --> rhl OK [ 4.  4.  4. 54. 54. 54.]
rhl@201 --> rhl OK [ 4.  4.  4. 54. 54. 54.]
rhl@120 --> rhl OK [ 4.  4.  4. 54. 54. 54.]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
mcl@012 --> mcl OK [ 2.  3.  4. 62. 90. 90.]
mcl@201 --> mcl OK [ 4.  2.  3. 90. 62. 90.]
mcl@120 --> mcl OK [ 3.  4.  2. 90. 90. 62.]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
mclc@012 --> mclc OK [ 2.5         2.5         5.         78.05016286 78.05016286 73.73979529]
mclc@201 --> mclc OK [ 5.          2.5         2.5        73.73979529 78.05016286 78.05016286]
mclc@120 --> mclc OK [ 2.5         5.          2.5        78.05016286 73.73979529 78.05016286]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
tri@012 --> tri OK [ 7.  6.  5. 65. 70. 80.]
tri@201 --> tri OK [ 5.  7.  6. 80. 65. 70.]
tri@120 --> tri OK [ 6.  5.  7. 70. 80. 65.]
.Global seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
sqr@012 --> sqr OK [ 3.  3.  0. 90. 90. 90.]
sqr@012 --> sqr OK [ 3.  3. 10. 90. 90. 90.]
sqr@201 --> sqr OK [10.  3.  3. 90. 90. 90.]
sqr@120 --> sqr OK [ 3. 10.  3. 90. 90. 90.]
crect@012 --> crect OK [ 3.  3.  0. 90. 90. 40.]
rect@012 --> rect OK [ 3.  4.  0. 90. 90. 90.]
rect@012 --> rect OK [ 3.  4. 10. 90. 90. 90.]
rect@201 --> rect OK [10.  3.  4. 90. 90. 90.]
rect@120 --> rect OK [ 4. 10.  3. 90. 90. 90.]
hex2d@012 --> hex2d OK [  3.   3.   0.  90.  90. 120.]
obl@012 --> obl OK [ 3.  4.  0. 90. 90. 40.]
.Global seed for "test/bravais/test_main.py:test_2d" was: 1436
crect@012 --> crect OK [ 3.  3. 10. 90. 90. 40.]
crect@201 --> crect OK [10.  3.  3. 40. 90. 90.]
crect@120 --> crect OK [ 3. 10.  3. 90. 40. 90.]
.Global seed for "test/bravais/test_main.py:test_crect" was: 3680
hex2d@012 --> hex2d OK [  3.   3.   0.  90.  90. 120.]
.Global seed for "test/bravais/test_main.py:test_hex2d" was: 4472
obl@012 --> obl OK [ 1.234  4.    10.    90.    90.    40.   ]
obl@201 --> obl OK [10.     1.234  4.    40.    90.    90.   ]
obl@120 --> obl OK [ 4.    10.     1.234 90.    40.    90.   ]
.Global seed for "test/bravais/test_main.py:test_obl" was: 7406
line@012 --> line OK [ 1.234  0.     0.    90.    90.    90.   ]
line@012 --> line OK [ 1.234  1.     1.    90.    90.    90.   ]
line@012 --> line OK [ 0.     0.     1.234 90.    90.    90.   ]
line@012 --> line OK [ 1.     1.     1.234 90.    90.    90.   ]
.Global seed for "test/bravais/test_main.py:test_1d" was: 6158

bravais/test_orcc_mcl.py 218.75148019650823 218.75148019650823
cellpar1 [ 1.          2.          3.04138127 90.         99.46232221 90.        ]
cellpar2 [ 1.          2.          3.04138127 90.         99.46232221 90.        ]
[ 1.          2.          3.04121703 90.         99.44373879 90.        ]
[ 1.          2.          3.04121703 90.         99.44373879 90.        ]
.Global seed for "test/bravais/test_orcc_mcl.py:test_bravais_orcc_mcl" was: 177

bravais/test_reduce.py .Global seed for "test/bravais/test_reduce.py:test_reduce_lattice" was: 11878

bravais/test_standard_form.py check CUB(a=3) --> CUB(a=3)
check CUB(a=3) --> CUB(a=3)
check CUB(a=3) --> CUB(a=3)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check FCC(a=3) --> FCC(a=3)
check FCC(a=3) --> FCC(a=3)
check FCC(a=3) --> FCC(a=3)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check BCC(a=3) --> BCC(a=3.0000000000000004441)
check BCC(a=3) --> BCC(a=3.0000000000000004441)
check BCC(a=3) --> BCC(a=3.0000000000000004441)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check TET(a=3, c=5) --> TET(a=3, c=5)
check TET(a=3, c=5) --> TET(a=3, c=5)
check TET(a=3, c=5) --> TET(a=3, c=5)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check BCT(a=6, c=5) --> BCT(a=6, c=5)
check BCT(a=6, c=5) --> BCT(a=6, c=4.9999999999999982236)
check BCT(a=6, c=5) --> BCT(a=6, c=4.9999999999999982236)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check BCT(a=3, c=5) --> BCT(a=3, c=5)
check BCT(a=3, c=5) --> BCT(a=2.9999999999999995559, c=5)
check BCT(a=3, c=5) --> BCT(a=2.9999999999999995559, c=5)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check ORC(a=3, b=4, c=5) --> ORC(a=3, b=4, c=5)
check ORC(a=3, b=4, c=5) --> ORC(a=3, b=4, c=5)
check ORC(a=3, b=4, c=5) --> ORC(a=3, b=4, c=5)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check ORCF(a=1.5617376188860605524, b=4, c=5) --> ORCF(a=1.5617376188860605524, b=4, c=5)
check ORCF(a=1.5617376188860605524, b=4, c=5) --> ORCF(a=1.5617376188860605524, b=4, c=5)
check ORCF(a=1.5617376188860605524, b=4, c=5) --> ORCF(a=1.5617376188860605524, b=3.9999999999999995559, c=5)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check ORCF(a=3.7481702853265450592, b=4, c=5) --> ORCF(a=3.7481702853265450592, b=4, c=5)
check ORCF(a=3.7481702853265450592, b=4, c=5) --> ORCF(a=3.7481702853265450592, b=4, c=4.9999999999999991118)
check ORCF(a=3.7481702853265450592, b=4, c=5) --> ORCF(a=3.7481702853265450592, b=4, c=4.9999999999999991118)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check ORCF(a=3.1234752377721211047, b=4, c=5) --> ORCF(a=3.1234752377721211047, b=4, c=5)
check ORCF(a=3.1234752377721211047, b=4, c=5) --> ORCF(a=3.1234752377721202166, b=3.9999999999999991118, c=4.9999999999999991118)
check ORCF(a=3.1234752377721211047, b=4, c=5) --> ORCF(a=3.1234752377721202166, b=3.9999999999999991118, c=4.9999999999999991118)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check ORCI(a=3, b=4, c=5) --> ORCI(a=3, b=4, c=5)
check ORCI(a=3, b=4, c=5) --> ORCI(a=3.0000000000000008882, b=3.9999999999999986677, c=5.0000000000000008882)
check ORCI(a=3, b=4, c=5) --> ORCI(a=3.0000000000000008882, b=3.9999999999999986677, c=5.0000000000000008882)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check ORCC(a=3, b=4, c=5) --> ORCC(a=3, b=4, c=5)
check ORCC(a=3, b=4, c=5) --> ORCC(a=2.9999999999999995559, b=4, c=5)
check ORCC(a=3, b=4, c=5) --> ORCC(a=2.9999999999999995559, b=4, c=5)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check HEX(a=3, c=5) --> HEX(a=3, c=5)
check HEX(a=3, c=5) --> HEX(a=3, c=5)
check HEX(a=3, c=5) --> HEX(a=3, c=5)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check RHL(a=3, alpha=55) --> RHL(a=3, alpha=54.999999999999992895)
check RHL(a=3, alpha=55) --> RHL(a=3.0000000000000004441, alpha=54.999999999999992895)
check RHL(a=3, alpha=55) --> RHL(a=3.0000000000000004441, alpha=54.999999999999992895)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check RHL(a=3, alpha=105) --> RHL(a=3.0000000000000004441, alpha=105)
check RHL(a=3, alpha=105) --> RHL(a=3.0000000000000004441, alpha=104.99999999999998579)
check RHL(a=3, alpha=105) --> RHL(a=3.0000000000000004441, alpha=104.99999999999998579)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check MCL(a=3, b=4, c=5, alpha=70) --> MCL(a=3, b=4, c=5, alpha=70)
check MCL(a=3, b=4, c=5, alpha=70) --> MCL(a=3, b=4, c=5.0000000000000008882, alpha=70)
check MCL(a=3, b=4, c=5, alpha=70) --> MCL(a=3, b=4, c=5.0000000000000008882, alpha=70)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check MCLC(a=3, b=4, c=5, alpha=80) --> MCLC(a=3, b=4, c=4.9999999999999991118, alpha=80)
check MCLC(a=3, b=4, c=5, alpha=80) --> MCLC(a=3, b=4, c=4.9999999999999991118, alpha=79.999999999999971578)
check MCLC(a=3, b=4, c=5, alpha=80) --> MCLC(a=2.9999999999999986677, b=4.0000000000000008882, c=4.9999999999999991118, alpha=79.999999999999985789)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check MCLC(a=5.4000000000000003553, b=4, c=10, alpha=80) --> MCLC(a=5.4000000000000003553, b=4, c=9.9999999999999982236, alpha=80)
check MCLC(a=5.4000000000000003553, b=4, c=10, alpha=80) --> MCLC(a=5.4000000000000012434, b=3.9999999999999995559, c=9.9999999999999982236, alpha=79.999999999999985789)
check MCLC(a=5.4000000000000003553, b=4, c=10, alpha=80) --> MCLC(a=5.4000000000000012434, b=3.9999999999999995559, c=9.9999999999999982236, alpha=79.999999999999985789)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check MCLC(a=4, b=4, c=4.4000000000000003553, alpha=70) --> MCLC(a=4, b=4, c=4.4000000000000003553, alpha=70)
check MCLC(a=4, b=4, c=4.4000000000000003553, alpha=70) --> MCLC(a=4, b=4, c=4.4000000000000003553, alpha=70)
check MCLC(a=4, b=4, c=4.4000000000000003553, alpha=70) --> MCLC(a=4, b=4, c=4.4000000000000003553, alpha=70)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check TRI(a=4.6989399557768285476, b=4.2488738231234570719, c=3.8167409731581529719, alpha=52.808928172205455098, beta=59.812875231745593396, gamma=64.943084369074483675) --> TRI(a=4.6989399557768285476, b=4.2488738231234570719, c=3.8167409731581529719, alpha=52.808928172205455098, beta=59.812875231745593396, gamma=64.943084369074497886)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check TRI(a=4.6210361858277755331, b=4.3534623052678007582, c=4.0489571769929559863, alpha=125.43108863021610944, beta=112.90382343192933945, gamma=91.781681902698366571) --> TRI(a=4.6210361858277755331, b=4.3534623052678007582, c=4.0489571769929559863, alpha=125.43108863021610944, beta=112.90382343192933945, gamma=91.781681902698366571)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check TRI(a=4.3539270198827990654, b=3.9369063483833444117, c=3.5910584813733157361, alpha=57.853298599519888512, beta=66.738338973371696738, gamma=77.869542155423374652) --> TRI(a=4.3539270198827990654, b=3.9369063483833444117, c=3.591058481373315292, alpha=57.853298599519888512, beta=66.738338973371696738, gamma=77.869542155423374652)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
check TRI(a=5.2797381737636372989, b=4.9740231837301802642, c=4.9230062127121030358, alpha=137.9214859332969354, beta=130.74575661832304263, gamma=61.023267768850914194) --> TRI(a=5.2797381737636372989, b=4.9740231837301802642, c=4.9230062127121030358, alpha=137.9214859332969354, beta=130.74575661832307105, gamma=61.023267768850914194)
.Global seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070

build_/test_attach.py .Global seed for "test/build_/test_attach.py:test_attach_molecules" was: 3911
.Global seed for "test/build_/test_attach.py:test_pbc" was: 8561
.Global seed for "test/build_/test_attach.py:test_attach_to_surface" was: 545
.Global seed for "test/build_/test_attach.py:test_attach_randomly" was: 1024

build_/test_build_bulk.py 3 Li bcc BCC(a=3.49) [3.02242866 3.02242866 3.02242866]
bcc 1 Li
4 Be hcp HEX(a=2.29, c=3.58843) [2.29    2.29    3.58843]
6 C diamond FCC(a=3.57) [2.52437121 2.52437121 2.52437121]
bcc 1 Li
hcp 1 Be
diamond 1 C
10 Ne fcc FCC(a=4.43) [3.13248304 3.13248304 3.13248304]
bcc 1 Li
hcp 1 Be
diamond 1 C
fcc 1 Ne
11 Na bcc BCC(a=4.23) [3.66328746 3.66328746 3.66328746]
bcc 2 LiNa
hcp 1 Be
diamond 1 C
fcc 1 Ne
12 Mg hcp HEX(a=3.21, c=5.21304) [3.21    3.21    5.21304]
13 Al fcc FCC(a=4.05) [2.86378246 2.86378246 2.86378246]
bcc 2 LiNa
hcp 2 BeMg
diamond 1 C
fcc 2 NeAl
14 Si diamond FCC(a=5.43) [3.83958982 3.83958982 3.83958982]
bcc 2 LiNa
hcp 2 BeMg
diamond 2 CSi
fcc 2 NeAl
18 Ar fcc FCC(a=5.26) [3.71938167 3.71938167 3.71938167]
bcc 2 LiNa
hcp 2 BeMg
diamond 2 CSi
fcc 3 NeAlAr
19 K bcc BCC(a=5.23) [4.52931286 4.52931286 4.52931286]
bcc 3 LiNaK
hcp 2 BeMg
diamond 2 CSi
fcc 3 NeAlAr
20 Ca fcc FCC(a=5.58) [3.94565584 3.94565584 3.94565584]
bcc 3 LiNaK
hcp 2 BeMg
diamond 2 CSi
fcc 4 NeAlArCa
21 Sc hcp HEX(a=3.31, c=5.27614) [3.31    3.31    5.27614]
22 Ti hcp HEX(a=2.95, c=4.6846) [2.95   2.95   4.6846]
23 V bcc BCC(a=3.02) [2.61539672 2.61539672 2.61539672]
bcc 4 LiNaKV
hcp 4 BeMgScTi
diamond 2 CSi
fcc 4 NeAlArCa
24 Cr bcc BCC(a=2.88) [2.49415316 2.49415316 2.49415316]
bcc 5 LiNaKVCr
hcp 4 BeMgScTi
diamond 2 CSi
fcc 4 NeAlArCa
26 Fe bcc BCC(a=2.87) [2.48549291 2.48549291 2.48549291]
bcc 6 LiNaKVCrFe
hcp 4 BeMgScTi
diamond 2 CSi
fcc 4 NeAlArCa
27 Co hcp HEX(a=2.51, c=4.07122) [2.51    2.51    4.07122]
28 Ni fcc FCC(a=3.52) [2.48901587 2.48901587 2.48901587]
bcc 6 LiNaKVCrFe
hcp 5 BeMgScTiCo
diamond 2 CSi
fcc 5 NeAlArCaNi
29 Cu fcc FCC(a=3.61) [2.55265548 2.55265548 2.55265548]
bcc 6 LiNaKVCrFe
hcp 5 BeMgScTiCo
diamond 2 CSi
fcc 6 NeAlArCaNiCu
30 Zn hcp HEX(a=2.66, c=4.93696) [2.66    2.66    4.93696]
32 Ge diamond FCC(a=5.66) [4.00222438 4.00222438 4.00222438]
bcc 6 LiNaKVCrFe
hcp 6 BeMgScTiCoZn
diamond 3 CSiGe
fcc 6 NeAlArCaNiCu
33 As rhombohedral RHL(a=4.13, alpha=54.1) [4.13 4.13 4.13]
36 Kr fcc FCC(a=5.72) [4.04465079 4.04465079 4.04465079]
bcc 6 LiNaKVCrFe
hcp 6 BeMgScTiCoZn
diamond 3 CSiGe
fcc 7 NeAlArCaNiCuKr
rhombohedral 1 As
37 Rb bcc BCC(a=5.59) [4.84108201 4.84108201 4.84108201]
bcc 7 LiNaKVCrFeRb
hcp 6 BeMgScTiCoZn
diamond 3 CSiGe
fcc 7 NeAlArCaNiCuKr
rhombohedral 1 As
38 Sr fcc FCC(a=6.08) [4.29920923 4.29920923 4.29920923]
bcc 7 LiNaKVCrFeRb
hcp 6 BeMgScTiCoZn
diamond 3 CSiGe
fcc 8 NeAlArCaNiCuKrSr
rhombohedral 1 As
39 Y hcp HEX(a=3.65, c=5.73415) [3.65    3.65    5.73415]
40 Zr hcp HEX(a=3.23, c=5.14539) [3.23    3.23    5.14539]
41 Nb bcc BCC(a=3.3) [2.85788383 2.85788383 2.85788383]
bcc 8 LiNaKVCrFeRbNb
hcp 8 BeMgScTiCoZnYZr
diamond 3 CSiGe
fcc 8 NeAlArCaNiCuKrSr
rhombohedral 1 As
42 Mo bcc BCC(a=3.15) [2.72798002 2.72798002 2.72798002]
bcc 9 LiNaKVCrFeRbNbMo
hcp 8 BeMgScTiCoZnYZr
diamond 3 CSiGe
fcc 8 NeAlArCaNiCuKrSr
rhombohedral 1 As
43 Tc hcp HEX(a=2.74, c=4.39496) [2.74    2.74    4.39496]
44 Ru hcp HEX(a=2.7, c=4.2768) [2.7    2.7    4.2768]
45 Rh fcc FCC(a=3.8) [2.68700577 2.68700577 2.68700577]
bcc 9 LiNaKVCrFeRbNbMo
hcp 10 BeMgScTiCoZnYZrTcRu
diamond 3 CSiGe
fcc 9 NeAlArCaNiCuKrSrRh
rhombohedral 1 As
46 Pd fcc FCC(a=3.89) [2.75064538 2.75064538 2.75064538]
bcc 9 LiNaKVCrFeRbNbMo
hcp 10 BeMgScTiCoZnYZrTcRu
diamond 3 CSiGe
fcc 10 NeAlArCaNiCuKrSrRhPd
rhombohedral 1 As
47 Ag fcc FCC(a=4.09) [2.89206674 2.89206674 2.89206674]
bcc 9 LiNaKVCrFeRbNbMo
hcp 10 BeMgScTiCoZnYZrTcRu
diamond 3 CSiGe
fcc 11 NeAlArCaNiCuKrSrRhPdAg
rhombohedral 1 As
48 Cd hcp HEX(a=2.98, c=5.62028) [2.98    2.98    5.62028]
49 In bct BCT(a=3.24562, c=4.93884) [3.37121049 3.37121049 3.37121049]
50 Sn bct BCT(a=5.82, c=3.17772) [4.41142563 4.41142563 4.41142563]
51 Sb rhombohedral RHL(a=4.51, alpha=57.6) [4.51 4.51 4.51]
54 Xe fcc FCC(a=6.2) [4.38406204 4.38406204 4.38406204]
bcc 9 LiNaKVCrFeRbNbMo
hcp 11 BeMgScTiCoZnYZrTcRuCd
diamond 3 CSiGe
fcc 12 NeAlArCaNiCuKrSrRhPdAgXe
rhombohedral 2 AsSb
bct 2 InSn
55 Cs bcc BCC(a=6.05) [5.23945369 5.23945369 5.23945369]
bcc 10 LiNaKVCrFeRbNbMoCs
hcp 11 BeMgScTiCoZnYZrTcRuCd
diamond 3 CSiGe
fcc 12 NeAlArCaNiCuKrSrRhPdAgXe
rhombohedral 2 AsSb
bct 2 InSn
56 Ba bcc BCC(a=5.02) [4.34744753 4.34744753 4.34744753]
bcc 11 LiNaKVCrFeRbNbMoCsBa
hcp 11 BeMgScTiCoZnYZrTcRuCd
diamond 3 CSiGe
fcc 12 NeAlArCaNiCuKrSrRhPdAgXe
rhombohedral 2 AsSb
bct 2 InSn
57 La hcp HEX(a=3.75, c=6.07125) [3.75    3.75    6.07125]
58 Ce fcc FCC(a=5.16) [3.64867099 3.64867099 3.64867099]
bcc 11 LiNaKVCrFeRbNbMoCsBa
hcp 12 BeMgScTiCoZnYZrTcRuCdLa
diamond 3 CSiGe
fcc 13 NeAlArCaNiCuKrSrRhPdAgXeCe
rhombohedral 2 AsSb
bct 2 InSn
59 Pr hcp HEX(a=3.67, c=5.92338) [3.67    3.67    5.92338]
60 Nd hcp HEX(a=3.66, c=5.90724) [3.66    3.66    5.90724]
62 Sm rhombohedral RHL(a=9, alpha=23.13) [9. 9. 9.]
63 Eu bcc BCC(a=4.61) [3.99237711 3.99237711 3.99237711]
bcc 12 LiNaKVCrFeRbNbMoCsBaEu
hcp 14 BeMgScTiCoZnYZrTcRuCdLaPrNd
diamond 3 CSiGe
fcc 13 NeAlArCaNiCuKrSrRhPdAgXeCe
rhombohedral 3 AsSbSm
bct 2 InSn
64 Gd hcp HEX(a=3.64, c=5.78032) [3.64    3.64    5.78032]
65 Tb hcp HEX(a=3.6, c=5.6916) [3.6    3.6    5.6916]
66 Dy hcp HEX(a=3.59, c=5.64707) [3.59    3.59    5.64707]
67 Ho hcp HEX(a=3.58, c=5.6206) [3.58   3.58   5.6206]
68 Er hcp HEX(a=3.56, c=5.5892) [3.56   3.56   5.5892]
69 Tm hcp HEX(a=3.54, c=5.5578) [3.54   3.54   5.5578]
70 Yb fcc FCC(a=5.49) [3.88201623 3.88201623 3.88201623]
bcc 12 LiNaKVCrFeRbNbMoCsBaEu
hcp 20 BeMgScTiCoZnYZrTcRuCdLaPrNdGdTbDyHoErTm
diamond 3 CSiGe
fcc 14 NeAlArCaNiCuKrSrRhPdAgXeCeYb
rhombohedral 3 AsSbSm
bct 2 InSn
71 Lu hcp HEX(a=3.51, c=5.56335) [3.51    3.51    5.56335]
72 Hf hcp HEX(a=3.2, c=5.0624) [3.2    3.2    5.0624]
73 Ta bcc BCC(a=3.31) [2.86654409 2.86654409 2.86654409]
bcc 13 LiNaKVCrFeRbNbMoCsBaEuTa
hcp 22 BeMgScTiCoZnYZrTcRuCdLaPrNdGdTbDyHoErTmLuHf
diamond 3 CSiGe
fcc 14 NeAlArCaNiCuKrSrRhPdAgXeCeYb
rhombohedral 3 AsSbSm
bct 2 InSn
74 W bcc BCC(a=3.16) [2.73664028 2.73664028 2.73664028]
bcc 14 LiNaKVCrFeRbNbMoCsBaEuTaW
hcp 22 BeMgScTiCoZnYZrTcRuCdLaPrNdGdTbDyHoErTmLuHf
diamond 3 CSiGe
fcc 14 NeAlArCaNiCuKrSrRhPdAgXeCeYb
rhombohedral 3 AsSbSm
bct 2 InSn
75 Re hcp HEX(a=2.76, c=4.4574) [2.76   2.76   4.4574]
76 Os hcp HEX(a=2.74, c=4.32646) [2.74    2.74    4.32646]
77 Ir fcc FCC(a=3.84) [2.71529004 2.71529004 2.71529004]
bcc 14 LiNaKVCrFeRbNbMoCsBaEuTaW
hcp 24 BeMgScTiCoZnYZrTcRuCdLaPrNdGdTbDyHoErTmLuHfReOs
diamond 3 CSiGe
fcc 15 NeAlArCaNiCuKrSrRhPdAgXeCeYbIr
rhombohedral 3 AsSbSm
bct 2 InSn
78 Pt fcc FCC(a=3.92) [2.77185858 2.77185858 2.77185858]
bcc 14 LiNaKVCrFeRbNbMoCsBaEuTaW
hcp 24 BeMgScTiCoZnYZrTcRuCdLaPrNdGdTbDyHoErTmLuHfReOs
diamond 3 CSiGe
fcc 16 NeAlArCaNiCuKrSrRhPdAgXeCeYbIrPt
rhombohedral 3 AsSbSm
bct 2 InSn
79 Au fcc FCC(a=4.08) [2.88499567 2.88499567 2.88499567]
bcc 14 LiNaKVCrFeRbNbMoCsBaEuTaW
hcp 24 BeMgScTiCoZnYZrTcRuCdLaPrNdGdTbDyHoErTmLuHfReOs
diamond 3 CSiGe
fcc 17 NeAlArCaNiCuKrSrRhPdAgXeCeYbIrPtAu
rhombohedral 3 AsSbSm
bct 2 InSn
80 Hg rhombohedral RHL(a=2.99, alpha=70.45) [2.99 2.99 2.99]
81 Tl hcp HEX(a=3.46, c=5.53254) [3.46    3.46    5.53254]
82 Pb fcc FCC(a=4.95) [3.50017857 3.50017857 3.50017857]
bcc 14 LiNaKVCrFeRbNbMoCsBaEuTaW
hcp 25 BeMgScTiCoZnYZrTcRuCdLaPrNdGdTbDyHoErTmLuHfReOsTl
diamond 3 CSiGe
fcc 18 NeAlArCaNiCuKrSrRhPdAgXeCeYbIrPtAuPb
rhombohedral 4 AsSbSmHg
bct 2 InSn
83 Bi rhombohedral RHL(a=4.75, alpha=57.14) [4.75 4.75 4.75]
89 Ac fcc FCC(a=5.31) [3.75473701 3.75473701 3.75473701]
bcc 14 LiNaKVCrFeRbNbMoCsBaEuTaW
hcp 25 BeMgScTiCoZnYZrTcRuCdLaPrNdGdTbDyHoErTmLuHfReOsTl
diamond 3 CSiGe
fcc 19 NeAlArCaNiCuKrSrRhPdAgXeCeYbIrPtAuPbAc
rhombohedral 5 AsSbSmHgBi
bct 2 InSn
90 Th fcc FCC(a=5.08) [3.59210245 3.59210245 3.59210245]
bcc 14 LiNaKVCrFeRbNbMoCsBaEuTaW
hcp 25 BeMgScTiCoZnYZrTcRuCdLaPrNdGdTbDyHoErTmLuHfReOsTl
diamond 3 CSiGe
fcc 20 NeAlArCaNiCuKrSrRhPdAgXeCeYbIrPtAuPbAcTh
rhombohedral 5 AsSbSmHgBi
bct 2 InSn
.Global seed for "test/build_/test_build_bulk.py:test_build_bulk" was: 10371
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
.Global seed for "test/build_/test_build_bulk.py:test_crystal_structures" was: 2820
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build_/test_supercells.py .Global seed for "test/build_/test_supercells.py:test_make_supercell" was: 6468
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build_/test_surface.py .Global seed for "test/build_/test_surface.py:test_surface" was: 10519
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.Global seed for "test/build_/test_surface.py:test_others" was: 10294

build_/test_surface_stack.py OK bcc100 2
OK bcc110 2
OK bcc111 3
OK diamond100 4
OK diamond111 6
OK fcc100 2
OK fcc110 2
OK fcc111 3
OK hcp0001 2
OK hcp10m10 2
.Global seed for "test/build_/test_surface_stack.py:test_surface_stack" was: 1692

build_/test_surface_terminations.py .Global seed for "test/build_/test_surface_terminations.py:test_surface_terminations" was: 8003

calculator/abinit/test_abinit_cmdline.py s
calculator/abinit/test_main.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_abinit_0
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Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_au_abinit_fhi_0
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Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_au_abinit_paw_0
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Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fe_magmom_abinit0_0
sGlobal seed for "test/calculator/abinit/test_main.py:test_fe_magmom" was: 6678
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fe_magmom_abinit1_0
sGlobal seed for "test/calculator/abinit/test_main.py:test_fe_magmom" was: 6678
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Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_o2_abinit_0
sGlobal seed for "test/calculator/abinit/test_main.py:test_o2" was: 5943
ss
calculator/ace/test_ace.py s
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calculator/aims/test_version.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_get_aims_version0
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calculator/amber/test_amber.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_amber0
sGlobal seed for "test/calculator/amber/test_amber.py:test_amber" was: 369

calculator/castep/test_castep_interface.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fundamental_params0
.Global seed for "test/calculator/castep/test_castep_interface.py:test_fundamental_params" was: 9126
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calculator/cp2k/test_cp2k_H2_None.py s
calculator/cp2k/test_cp2k_dcd.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_dcd_cp2k_0
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calculator/cp2k/test_cp2k_many.py ssssssssssss
calculator/cp2k/test_cp2k_restart.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_restart0
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calculator/crystal/test_bulk.py s
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calculator/crystal/test_molecule.py s
calculator/demon/test_h2o.py s
calculator/demon/test_h2o_xas_xes.py s
calculator/demonnano/test_h2o.py s
calculator/dftb/test_dftb_bandstructure.py s
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s
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sGlobal seed for "test/calculator/dftb/test_dftb_relax_dimer.py:test_dftb_relax_dimer" was: 5125

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sGlobal seed for "test/calculator/dftb/test_dftb_relax_surface.py:test_dftb_relax_surface" was: 847

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calculator/dmol/test_water_dmol.py s
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sGlobal seed for "test/calculator/elk/test_elk.py:test_elk_bulk" was: 11604
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sGlobal seed for "test/calculator/elk/test_elk.py:test_elk_bulk" was: 11604

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sGlobal seed for "test/calculator/exciting/test_exciting.py:test_ground_state_template_init" was: 4028
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calculator/exciting/test_runner.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_class_simple_binary_runne0
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calculator/gaussian/test_optimizer_irc.py ss
calculator/gaussian/test_water.py s
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calculator/gpaw_/test_read_text_output.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gpaw_out0
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calculator/gpaw_/test_wannier.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gram_schmidt0
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calculator/kim/test_cutoff_skin.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cutoff_skin0
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calculator/kim/test_energy_forces_stress.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_energy_forces_stress0
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calculator/kim/test_modify_parameters.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_modify_parameters0
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calculator/kim/test_multi_neighlist.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_multi_neighlist0
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calculator/kim/test_relax.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_relax0
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calculator/kim/test_single_atom.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_atom0
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calculator/kim/test_update_coords.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_update_coords0
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calculator/kim/test_update_neighbor_parameters.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_update_neighbor_parameter0
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calculator/lammps/test_prism.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_sc0
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calculator/lammpslib/test_Pt_stress_cellopt.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_Pt_stress_cellopt_lammpsl0
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calculator/lammpslib/test_lammpslib_change_cell_bcs.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpslib_change_cell_bcs0
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calculator/lammpslib/test_lammpslib_neighlist_bug.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammps_neighlist_buf_lamm0
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calculator/lammpslib/test_lammpslib_simple.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpslib_simple_lammpsli0
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calculator/lammpslib/test_lammpslib_small_nonperiodic.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpslib_small_nonperiod0
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calculator/lammpsrun/test_NaCl_minimize.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_NaCl_minimize_lammpsrun_0
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calculator/lammpsrun/test_Pt_md_constraints_multistep.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_Pt_md_constraints_multist0
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calculator/lammpsrun/test_Pt_stress_cellopt.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_Pt_stress_cellopt_lammpsr0
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calculator/lammpsrun/test_lammps_units.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammps_units_conversions_0
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calculator/lammpsrun/test_no_data_file_wrap.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_no_data_file_wrap_lammpsr0
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calculator/nwchem/test_nwchem_bands.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bands_nwchem_0
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calculator/nwchem/test_nwchem_broken_symmetry.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_main_nwchem_0
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calculator/nwchem/test_nwchem_cmdline.py s
calculator/nwchem/test_nwchem_eigenvalues.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_eigenvalues_nwchem0
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calculator/nwchem/test_nwchem_h3o2m.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h3o2m_nwchem_0
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calculator/nwchem/test_nwchem_multitask.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_example_nwchem_params0_0
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calculator/nwchem/test_nwchem_parser.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parser0
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calculator/nwchem/test_nwchem_runmany.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_nwchem_dft__2051_90
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calculator/nwchem/test_nwchem_spin_symmetry.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_main_nwchem_1
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calculator/nwchem/test_nwchem_stress.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_main_nwchem_2
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calculator/nwchem/test_nwchem_version.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_version_nwchem_0
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calculator/octopus/test_big.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2o_octopus_0
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calculator/onetep/test_onetep.py s
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Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_restart_plumed_0
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Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_postpro_plumed_0
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calculator/psi4/test_psi4_HF_3_21G.py s
calculator/qchem/test_qchem_calculator.py s
calculator/siesta/lrtddft/test_siesta_lrtddft.py s
calculator/siesta/lrtddft/test_siesta_raman.py s
calculator/siesta/test_bandstructure.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bands_siesta_0
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calculator/siesta/test_dos.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_dos_siesta_0
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calculator/siesta/test_fdf_io.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fdf_io_siesta_0
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calculator/siesta/test_siesta_read_eigenvalues.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_siesta_read_eigenvalues_s0
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calculator/siesta/test_siesta_version.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_siesta_version0
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calculator/siesta/test_siesta_zmat.py sss
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Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_complex_siesta_0
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Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pao_block_siesta_0
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calculator/socketio/test_h2_stiffness.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_socketio_h2_siesta_0
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calculator/socketio/test_integration.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_socketio_espresso_abinit_0
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calculator/socketio/test_ipi_protocol_bfgs.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ipi_protocol_inet_0
Accepting clients on INET port 20066
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      Step     Time          Energy          fmax
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Driver:   send 72 bytes of <class 'numpy.float64'>
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Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
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BFGS:    1 18:26:10       27.370409        2.257720
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Driver:   send 4 bytes of <class 'numpy.int32'>
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Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
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BFGS:    2 18:26:10       20.372619        0.952687
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Driver:  status
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Driver:  sendposdata
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Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
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Driver:  status
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Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
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BFGS:    3 18:26:11       20.009418        1.539874
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
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Driver:  status
Driver:   sendmsg 'STATUS'
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Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
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Driver:  status
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Driver:  sendrecv_force
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Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
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Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
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BFGS:    4 18:26:11       19.399865        1.508640
Driver: calculate
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Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
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Driver:  status
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Driver:   sendmsg 'GETFORCE'
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Driver:   recv 8 bytes of <class 'numpy.float64'>
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Driver:   recv 1320 bytes of <class 'numpy.float64'>
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BFGS:    5 18:26:11       17.497211        0.235020
Driver: calculate
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Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
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Driver:  status
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Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
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Driver:   recv 72 bytes of <class 'numpy.float64'>
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BFGS:    6 18:26:11       17.436558        0.128260
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
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Driver:  sendinit
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Driver:   send 4 bytes of <class 'numpy.int32'>
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Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
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Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
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BFGS:    7 18:26:11       17.423926        0.139269
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
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Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
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BFGS:    8 18:26:11       17.416693        0.131138
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    9 18:26:11       17.400144        0.035121
Close socket server
      Step     Time          Energy          fmax
BFGS:    0 18:26:11       29.295824        2.384830
BFGS:    1 18:26:11       27.370409        2.257720
BFGS:    2 18:26:11       20.372619        0.952687
BFGS:    3 18:26:11       20.009418        1.539874
BFGS:    4 18:26:11       19.399865        1.508640
BFGS:    5 18:26:11       17.497211        0.235020
BFGS:    6 18:26:11       17.436558        0.128260
BFGS:    7 18:26:11       17.423926        0.139269
BFGS:    8 18:26:11       17.416693        0.131138
BFGS:    9 18:26:11       17.400144        0.035121
errs e=4.263256414560601e-14 f=1.1008555178548818e-14 pos=6.217248937900877e-15
.Global seed for "test/calculator/socketio/test_ipi_protocol_bfgs.py:test_ipi_protocol" was: 6161
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ipi_protocol_unix_0
Accepting clients on UNIX-socket /tmp/ipi_ase_ipi_protocol_bfgs_test_16925
Awaiting client
Accepted connection from 
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
      Step     Time          Energy          fmax
BFGS:    0 18:26:11       29.295824        2.384830
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    1 18:26:11       27.370409        2.257720
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    2 18:26:11       20.372619        0.952687
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    3 18:26:11       20.009418        1.539874
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    4 18:26:11       19.399865        1.508640
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    5 18:26:11       17.497211        0.235020
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    6 18:26:11       17.436558        0.128260
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    7 18:26:11       17.423926        0.139269
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    8 18:26:11       17.416693        0.131138
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    9 18:26:11       17.400144        0.035121
Close socket server
      Step     Time          Energy          fmax
BFGS:    0 18:26:11       29.295824        2.384830
BFGS:    1 18:26:12       27.370409        2.257720
BFGS:    2 18:26:12       20.372619        0.952687
BFGS:    3 18:26:12       20.009418        1.539874
BFGS:    4 18:26:12       19.399865        1.508640
BFGS:    5 18:26:12       17.497211        0.235020
BFGS:    6 18:26:12       17.436558        0.128260
BFGS:    7 18:26:12       17.423926        0.139269
BFGS:    8 18:26:12       17.416693        0.131138
BFGS:    9 18:26:12       17.400144        0.035121
errs e=4.263256414560601e-14 f=1.1008555178548818e-14 pos=6.217248937900877e-15
.Global seed for "test/calculator/socketio/test_ipi_protocol_bfgs.py:test_ipi_protocol" was: 6161

calculator/socketio/test_python_interface.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_socketio_python0
      Step     Time          Energy          fmax
BFGS:    0 18:26:12        0.147981        0.449969
BFGS:    1 18:26:12        0.130063        0.424576
BFGS:    2 18:26:12        0.035022        0.304005
BFGS:    3 18:26:12        0.024287        0.178845
BFGS:    4 18:26:12        0.022052        0.178977
BFGS:    5 18:26:12        0.011065        0.122154
BFGS:    6 18:26:12        0.007088        0.115334
BFGS:    7 18:26:12        0.004834        0.095970
BFGS:    8 18:26:12        0.003809        0.104548
BFGS:    9 18:26:12        0.002052        0.094926
BFGS:   10 18:26:12        0.000563        0.060954
BFGS:   11 18:26:12       -0.000194        0.039619
BFGS:   12 18:26:12       -0.000360        0.031860
BFGS:   13 18:26:12       -0.000418        0.026537
BFGS:   14 18:26:12       -0.000512        0.019556
BFGS:   15 18:26:12       -0.000627        0.017100
BFGS:   16 18:26:12       -0.000712        0.015319
BFGS:   17 18:26:12       -0.000749        0.011978
BFGS:   18 18:26:12       -0.000771        0.013567
BFGS:   19 18:26:12       -0.000806        0.015110
BFGS:   20 18:26:12       -0.000862        0.014795
BFGS:   21 18:26:12       -0.000919        0.012512
BFGS:   22 18:26:12       -0.000954        0.011444
BFGS:   23 18:26:12       -0.000972        0.009456
.Global seed for "test/calculator/socketio/test_python_interface.py:test_socketio_python" was: 8510

calculator/socketio/test_socket_io_mpi_line.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_socketio_mpi_generator0
.Global seed for "test/calculator/socketio/test_socket_io_mpi_line.py:test_socketio_mpi_generator" was: 10649

calculator/test_al.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_al_openmx_0
sGlobal seed for "test/calculator/test_al.py:test_al" was: 11180

calculator/test_bond_polarizability.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_CC_bond0
.Global seed for "test/calculator/test_bond_polarizability.py:test_CC_bond" was: 10070
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_symmetry0
.Global seed for "test/calculator/test_bond_polarizability.py:test_symmetry" was: 10334
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_2to30
.Global seed for "test/calculator/test_bond_polarizability.py:test_2to3" was: 3710

calculator/test_calculator.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_directory_and_label0
.Global seed for "test/calculator/test_calculator.py:test_directory_and_label" was: 632
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_deprecated_get_spin_polar0
.Global seed for "test/calculator/test_calculator.py:test_deprecated_get_spin_polarized" was: 7475

calculator/test_ch4_energy.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_gaussian_0
sGlobal seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_gamess_us_0
sGlobal seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_siesta_0
sGlobal seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_openmx_0
sGlobal seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_octopus_0
sGlobal seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_nwchem_0
sGlobal seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_gpaw_0
sGlobal seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_espresso_0
sGlobal seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_cp2k_0
sGlobal seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_aims_0
sGlobal seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_abinit_0
sGlobal seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698

calculator/test_command.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_ace_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_amber_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_castep_0
dummy shell command from environment castep
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_cp2k_0
dummy shell command from environmentcp2k_shell
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_crystal_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_demon_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_demonnano_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_dftb_0
dummy shell command from environment > dftb.out
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_dftd3_0
['dummy', 'shell', 'command', 'from', 'environment', 'ase_dftd3.POSCAR', '-func', 'pbe', '-grad', '-pbc', '-cnthr', '40.0', '-cutoff', '95.0', '-zero']
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_dmol_0
dummy shell command from environment tmp > tmp.out
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_elk_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_gamess_us_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_gaussian_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_gromacs_0
dummy shell command from environment mdrun -s gromacs.tpr -o gromacs.trr -e gromacs.edr -g gromacs.log -c gromacs.g96  > MM.log 2>&1
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_gulp_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_lammpsrun_0
['dummy', 'shell', 'command', 'from', 'environment', '-echo', 'log', '-screen', 'none', '-log', '/dev/stdout']
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_mopac_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_nwchem_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_openmx_0
dummy shell command from environment openmx.dat > /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_openmx_0/openmx.log
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_siesta_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_envvar_command_vasp_0
dummy shell command from environment
.Global seed for "test/calculator/test_command.py:test_envvar_command" was: 9572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_ace_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_amber_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_castep_0
dummy command via keyword castep
dummy command via keyword castep
dummy command via keyword castep
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_cp2k_0
dummy command via keyword cp2k_shell
dummy command via keyword cp2k_shell
dummy command via keyword cp2k_shell
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_crystal_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_demon_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_demonnano0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_dftb_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_dftd3_0
['dummy', 'command', 'via', 'keyword', 'ase_dftd3.POSCAR', '-func', 'pbe', '-grad', '-pbc', '-cnthr', '40.0', '-cutoff', '95.0', '-zero']
['dummy', 'command', 'via', 'keyword', 'ase_dftd3.POSCAR', '-func', 'pbe', '-grad', '-pbc', '-cnthr', '40.0', '-cutoff', '95.0', '-zero']
['dummy', 'command', 'via', 'keyword', 'ase_dftd3.POSCAR', '-func', 'pbe', '-grad', '-pbc', '-cnthr', '40.0', '-cutoff', '95.0', '-zero']
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_dmol_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_elk_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_gamess_us0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_gaussian_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_gromacs_0
dummy command via keyword mdrun -s gromacs.tpr -o gromacs.trr -e gromacs.edr -g gromacs.log -c gromacs.g96  > MM.log 2>&1
dummy command via keyword mdrun -s gromacs.tpr -o gromacs.trr -e gromacs.edr -g gromacs.log -c gromacs.g96  > MM.log 2>&1
dummy command via keyword mdrun -s gromacs.tpr -o gromacs.trr -e gromacs.edr -g gromacs.log -c gromacs.g96  > MM.log 2>&1
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_gulp_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_lammpsrun0
['dummy', 'command', 'via', 'keyword', '-echo', 'log', '-screen', 'none', '-log', '/dev/stdout']
['dummy', 'command', 'via', 'keyword', '-echo', 'log', '-screen', 'none', '-log', '/dev/stdout']
['dummy', 'command', 'via', 'keyword', '-echo', 'log', '-screen', 'none', '-log', '/dev/stdout']
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_mopac_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_nwchem_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_openmx_0
dummy command via keyword openmx.dat > /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_openmx_0/openmx.log
dummy command via keyword openmx.dat > /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_openmx_0/openmx.log
dummy command via keyword openmx.dat > /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_openmx_0/openmx.log
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_siesta_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_keyword_command_vasp_0
dummy command via keyword
dummy command via keyword
dummy command via keyword
.Global seed for "test/calculator/test_command.py:test_keyword_command" was: 10201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_amber_0
sander -O  -i mm.in -o mm.out -p mm.top -c mm.crd -r mm_dummy.crd
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_castep_0
castep castep
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_cp2k_0
cp2k_shell
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_dftb_0
dftb+ > dftb.out
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_dftd3_0
['dftd3', 'ase_dftd3.POSCAR', '-func', 'pbe', '-grad', '-pbc', '-cnthr', '40.0', '-cutoff', '95.0', '-zero']
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_elk_0
elk > elk.out
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_gamess_0
rungms gamess_us.inp > gamess_us.log 2> gamess_us.err
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_gaussia0
g16 < Gaussian.com > Gaussian.log
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_gulp_0
gulp < gulp.gin > gulp.got
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_lammpsr0
['lammps', '-echo', 'log', '-screen', 'none', '-log', '/dev/stdout']
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_mopac_0
mopac mopac.mop 2> /dev/null
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_nwchem_0
nwchem nwchem.nwi > nwchem.nwo
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_qchem_0
qchem qchem.inp qchem.out
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_default_siesta_0
siesta < siesta.fdf > siesta.out
.Global seed for "test/calculator/test_command.py:test_nocommand_default" was: 6431
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_raise_ace_0
.Global seed for "test/calculator/test_command.py:test_nocommand_raise" was: 8908
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_raise_demonnano0
.Global seed for "test/calculator/test_command.py:test_nocommand_raise" was: 8908
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_raise_crystal_0
.Global seed for "test/calculator/test_command.py:test_nocommand_raise" was: 8908
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_raise_demon_0
.Global seed for "test/calculator/test_command.py:test_nocommand_raise" was: 8908
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_raise_dmol_0
.Global seed for "test/calculator/test_command.py:test_nocommand_raise" was: 8908
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_raise_gromacs_0
.Global seed for "test/calculator/test_command.py:test_nocommand_raise" was: 8908
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nocommand_raise_vasp_0
.Global seed for "test/calculator/test_command.py:test_nocommand_raise" was: 8908

calculator/test_dftd3.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_forces_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_forces" was: 1274
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d2_old_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_d2_old" was: 7153
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_bj_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_d3_bj" was: 3250
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_zerom_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_d3_zerom" was: 479
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_bjm_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_d3_bjm" was: 7734
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_alternative_tz_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_alternative_tz" was: 7620
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_zero_abc_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_d3_zero_abc" was: 8816
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_zero_revpbe_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_d3_zero_revpbe" was: 1079
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bad_xc_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_bad_xc" was: 10881
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_custom_damping_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_custom_damping" was: 7668
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_bj_abc_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_d3_bj_abc" was: 4044
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_zerom_b3lyp_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_d3_zerom_b3lyp" was: 8295
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_diamond_stress_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_diamond_stress" was: 4413
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_free_energy_bug_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_free_energy_bug" was: 7926
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_non_dftd3_property_dftd3_0
sGlobal seed for "test/calculator/test_dftd3.py:test_non_dftd3_property" was: 1721

calculator/test_eam.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_eam0
Cohesive Energy for Al =  -3.3662847608919377  eV
read/write check error =  -2.4143771740762467e-08
.Global seed for "test/calculator/test_eam.py:test_eam" was: 3049

calculator/test_eam_run.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_eam_run_eam_0
sGlobal seed for "test/calculator/test_eam_run.py:test_eam_run" was: 8379
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_potential_eam_Pt_u3_0
sGlobal seed for "test/calculator/test_eam_run.py:test_read_potential" was: 226
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_potential_eam_NiAlH_0
sGlobal seed for "test/calculator/test_eam_run.py:test_read_potential" was: 226
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_potential_eam_NiAlH_1
sGlobal seed for "test/calculator/test_eam_run.py:test_read_potential" was: 226
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_potential_eam_AlCu_a0
sGlobal seed for "test/calculator/test_eam_run.py:test_read_potential" was: 226

calculator/test_gulp.py s
calculator/test_gulp_opt.py s
calculator/test_h2.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2dft_gaussian_0
sGlobal seed for "test/calculator/test_h2.py:test_h2dft" was: 4556
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2dft_gamess_us_0
sGlobal seed for "test/calculator/test_h2.py:test_h2dft" was: 4556
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2dft_cp2k_0
sGlobal seed for "test/calculator/test_h2.py:test_h2dft" was: 4556

calculator/test_h2_bond_force.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_siesta_0
sGlobal seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_nwchem_0
sGlobal seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_mopac_0
sGlobal seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_gpaw_0
sGlobal seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_espresso_0
sGlobal seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_cp2k_0
sGlobal seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_abinit_0
sGlobal seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994

calculator/test_h2morse.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gs_minimum0
.Global seed for "test/calculator/test_h2morse.py:test_gs_minimum" was: 4906
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gs_io_overlap0
.Global seed for "test/calculator/test_h2morse.py:test_gs_io_overlap" was: 9053
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_excited_state0
.Global seed for "test/calculator/test_h2morse.py:test_excited_state" was: 4653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_excited_io0
.Global seed for "test/calculator/test_h2morse.py:test_excited_io" was: 11103
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_traditional0
.Global seed for "test/calculator/test_h2morse.py:test_traditional" was: 7862

calculator/test_harmonic.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cartesians0
      Step     Time          Energy          fmax
BFGS:    0 18:26:12      -14.222189        0.000000
      Step     Time          Energy          fmax
BFGS:    0 18:26:12      145.098852      130.334552
BFGS:    1 18:26:12       99.234358      109.323626
BFGS:    2 18:26:12       61.044986       89.236483
BFGS:    3 18:26:12       30.483482       68.679401
BFGS:    4 18:26:12        7.839872       48.251106
BFGS:    5 18:26:12       -6.888551       27.783722
BFGS:    6 18:26:12      -13.691042        7.444038
BFGS:    7 18:26:12      -14.221613        0.086473
BFGS:    8 18:26:12      -14.221834        0.063985
BFGS:    9 18:26:12      -14.222188        0.008808
BFGS:   10 18:26:12      -14.222189        0.001885
BFGS:   11 18:26:12      -14.222189        0.000001
BFGS:   12 18:26:12      -14.222189        0.000000
BFGS:   13 18:26:12      -14.222189        0.000000
      Step     Time          Energy          fmax
BFGS:    0 18:26:12       14.339439       47.473006
BFGS:    1 18:26:12       -1.360969       30.281518
BFGS:    2 18:26:12      -10.427193       15.630579
BFGS:    3 18:26:12      -13.405388        3.897054
BFGS:    4 18:26:12      -13.821175        3.266607
BFGS:    5 18:26:12      -14.108105        2.734784
BFGS:    6 18:26:12      -14.213821        0.809212
BFGS:    7 18:26:12      -14.221968        0.135292
BFGS:    8 18:26:12      -14.222186        0.014357
BFGS:    9 18:26:12      -14.222189        0.001142
BFGS:   10 18:26:12      -14.222189        0.000005
BFGS:   11 18:26:12      -14.222189        0.000000
BFGS:   12 18:26:12      -14.222189        0.000000
.Global seed for "test/calculator/test_harmonic.py:test_cartesians" was: 5204
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_constraints_with_cartesia0
      Step     Time          Energy          fmax
BFGS:    0 18:26:12     1058.751773      320.865083
BFGS:    1 18:26:12      943.035002      302.369081
BFGS:    2 18:26:12      839.946320      285.702564
BFGS:    3 18:26:12      745.376101      269.210284
BFGS:    4 18:26:12      659.384022      253.431726
BFGS:    5 18:26:12      580.351578      237.986189
BFGS:    6 18:26:12      507.757988      222.901365
BFGS:    7 18:26:12      440.945831      208.068688
BFGS:    8 18:26:12      379.528317      193.456769
BFGS:    9 18:26:12      323.169102      179.019460
BFGS:   10 18:26:12      271.625960      164.729187
BFGS:   11 18:26:12      224.704417      150.560461
BFGS:   12 18:26:12      182.254494      136.494491
BFGS:   13 18:26:12      144.156584      122.515687
BFGS:   14 18:26:12      110.315502      108.611920
BFGS:   15 18:26:12       80.654247       94.773530
BFGS:   16 18:26:12       55.109899       80.993106
BFGS:   17 18:26:12       33.630164       67.265177
BFGS:   18 18:26:12       16.170673       53.586200
BFGS:   19 18:26:12        2.692616       39.954816
BFGS:   20 18:26:12       -6.839617       26.372870
BFGS:   21 18:26:12      -12.461682       12.848910
BFGS:   22 18:26:12      -14.221020        0.183800
BFGS:   23 18:26:12      -14.221479        0.144493
BFGS:   24 18:26:12      -14.222189        0.000007
BFGS:   25 18:26:12      -14.222189        0.000000
BFGS:   26 18:26:12      -14.222189        0.000000
BFGS:   27 18:26:12      -14.222189        0.000000
BFGS:   28 18:26:12      -14.222189        0.000000
BFGS:   29 18:26:12      -14.222189        0.000000
BFGS:   30 18:26:12      -14.222189        0.000000
      Step     Time          Energy          fmax
BFGS:    0 18:26:12      -14.222189        0.000000
.Global seed for "test/calculator/test_harmonic.py:test_constraints_with_cartesians" was: 4417
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_raise_Errors0
.Global seed for "test/calculator/test_harmonic.py:test_raise_Errors" was: 1401
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_internals0
      Step     Time          Energy          fmax
BFGS:    0 18:26:12      -11.633256       19.475842
BFGS:    1 18:26:12      -13.782810        6.524623
BFGS:    2 18:26:12      -14.094713        1.077375
BFGS:    3 18:26:12      -14.141470        0.980665
BFGS:    4 18:26:12      -14.212540        0.985933
BFGS:    5 18:26:12      -14.221252        0.303640
BFGS:    6 18:26:12      -14.222135        0.078075
BFGS:    7 18:26:12      -14.222189        0.001160
BFGS:    8 18:26:12      -14.222189        0.000020
BFGS:    9 18:26:12      -14.222189        0.000000
BFGS:   10 18:26:12      -14.222189        0.000000
      Step     Time          Energy          fmax
BFGS:    0 18:26:12      102.420388       81.964463
BFGS:    1 18:26:12       63.435326       66.022830
BFGS:    2 18:26:12       34.105805       51.831942
BFGS:    3 18:26:12       14.072994       38.743355
BFGS:    4 18:26:12        0.405870       27.141573
BFGS:    5 18:26:12       -7.922691       16.588234
BFGS:    6 18:26:12      -12.348831        7.569492
BFGS:    7 18:26:12      -13.856544        3.487962
BFGS:    8 18:26:12      -14.039282        3.143034
BFGS:    9 18:26:12      -14.210074        0.995367
BFGS:   10 18:26:12      -14.221382        0.273045
BFGS:   11 18:26:12      -14.222111        0.092214
BFGS:   12 18:26:12      -14.222189        0.003549
BFGS:   13 18:26:12      -14.222189        0.000086
BFGS:   14 18:26:12      -14.222189        0.000001
BFGS:   15 18:26:12      -14.222189        0.000000
BFGS:   16 18:26:12      -14.222189        0.000000
      Step     Time          Energy          fmax
BFGS:    0 18:26:12      -11.753352       16.699781
BFGS:    1 18:26:12      -13.796298        5.714707
BFGS:    2 18:26:12      -14.104315        1.320846
BFGS:    3 18:26:12      -14.157704        1.016692
BFGS:    4 18:26:12      -14.220040        0.457714
BFGS:    5 18:26:12      -14.222113        0.094990
BFGS:    6 18:26:12      -14.222189        0.003631
BFGS:    7 18:26:12      -14.222189        0.000390
BFGS:    8 18:26:12      -14.222189        0.000020
BFGS:    9 18:26:12      -14.222189        0.000000
.Global seed for "test/calculator/test_harmonic.py:test_internals" was: 5451
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compatible_with_ase_vibra0
      Step     Time          Energy          fmax
BFGS:    0 18:26:12        2.565968        7.358175
BFGS:    1 18:26:12        1.905567        1.190806
BFGS:    2 18:26:12        1.881186        0.343272
BFGS:    3 18:26:12        1.879169        0.024273
BFGS:    4 18:26:12        1.879156        0.008121
BFGS:    5 18:26:12        1.879153        0.008494
BFGS:    6 18:26:12        1.879102        0.035508
BFGS:    7 18:26:12        1.879045        0.050057
BFGS:    8 18:26:12        1.878963        0.050275
BFGS:    9 18:26:12        1.878903        0.028747
BFGS:   10 18:26:12        1.878884        0.004954
BFGS:   11 18:26:12        1.878884        0.000140
BFGS:   12 18:26:12        1.878884        0.000033
BFGS:   13 18:26:12        1.878884        0.000009
BFGS:   14 18:26:12        1.878884        0.000001
BFGS:   15 18:26:12        1.878884        0.000000
BFGS:   16 18:26:12        1.878884        0.000000
.Global seed for "test/calculator/test_harmonic.py:test_compatible_with_ase_vibrations" was: 11743
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_thermodynamic_integration0
.Global seed for "test/calculator/test_harmonic.py:test_thermodynamic_integration" was: 11694

calculator/test_lj.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_minimum_energy0
.Global seed for "test/calculator/test_lj.py:test_minimum_energy" was: 1711
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_minimum_forces0
.Global seed for "test/calculator/test_lj.py:test_minimum_forces" was: 7501
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_system_changes0
.Global seed for "test/calculator/test_lj.py:test_system_changes" was: 7796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_finite_difference0
.Global seed for "test/calculator/test_lj.py:test_finite_difference" was: 9322
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bulk_energies0
.Global seed for "test/calculator/test_lj.py:test_bulk_energies" was: 7160
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bulk_forces0
.Global seed for "test/calculator/test_lj.py:test_bulk_forces" was: 4869
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bulk_stress0
.Global seed for "test/calculator/test_lj.py:test_bulk_stress" was: 8520

calculator/test_mopac.py ss
calculator/test_morse.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gs_minimum_energy0
.Global seed for "test/calculator/test_morse.py:test_gs_minimum_energy" was: 7080
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gs_vibrations0
.Global seed for "test/calculator/test_morse.py:test_gs_vibrations" was: 193
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cutoff0
.Global seed for "test/calculator/test_morse.py:test_cutoff" was: 11505
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_forces0
.Global seed for "test/calculator/test_morse.py:test_forces" was: 490

calculator/test_orca.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_orca_version_from_string0
.Global seed for "test/calculator/test_orca.py:test_orca_version_from_string" was: 8196
sTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ohh_orca_0
sGlobal seed for "test/calculator/test_orca.py:test_ohh" was: 7224
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_orca_orca_0
sGlobal seed for "test/calculator/test_orca.py:test_orca" was: 1960
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_orca_charged_dipole_orca_0
sGlobal seed for "test/calculator/test_orca.py:test_orca_charged_dipole" was: 1927
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_orca_charged_dipole_orca_1
sGlobal seed for "test/calculator/test_orca.py:test_orca_charged_dipole" was: 1927
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_orca_sp_orca_0
sGlobal seed for "test/calculator/test_orca.py:test_orca_sp" was: 6776
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_orca_use_last_energy_orca0
sGlobal seed for "test/calculator/test_orca.py:test_orca_use_last_energy" was: 3485

calculator/test_orca_qmmm.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_qmmm_orca_0
sGlobal seed for "test/calculator/test_orca_qmmm.py:test_qmmm" was: 7170

calculator/test_polarizability.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_shapes0
.Global seed for "test/calculator/test_polarizability.py:test_shapes" was: 4617

calculator/test_si_stress.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_stress_siesta_0
sGlobal seed for "test/calculator/test_si_stress.py:test_si_stress" was: 8536
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_stress_espresso_0
sGlobal seed for "test/calculator/test_si_stress.py:test_si_stress" was: 8536
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_stress_abinit_0
sGlobal seed for "test/calculator/test_si_stress.py:test_si_stress" was: 8536
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_stress_gpaw_0
sGlobal seed for "test/calculator/test_si_stress.py:test_si_stress" was: 8536
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_stress_aims_0
sGlobal seed for "test/calculator/test_si_stress.py:test_si_stress" was: 8536

calculator/test_subprocess_calculator.py ARGS (<ase.calculators.emt.EMT object at 0x7fad45f78440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['energy'], ['positions', 'numbers', 'cell', 'pbc', 'initial_charges', 'initial_magmoms'])
ARGS (<ase.calculators.emt.EMT object at 0x7fad45f78440>, Atoms(symbols='Au8', pbc=[False, True, True], cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.18], [4.08, 4.08, 0.0]]), ['energy'], ['cell', 'pbc', 'positions'])
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_subprocess_calculator_emt0
.Global seed for "test/calculator/test_subprocess_calculator.py:test_subprocess_calculator_emt" was: 9364
ARGS (<ase.calculators.emt.EMT object at 0x7ffb91954440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['forces'], ['positions', 'numbers', 'cell', 'pbc', 'initial_charges', 'initial_magmoms'])
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_subprocess_calculator_opt0
      Step     Time          Energy          fmax
BFGS:    0 18:26:13        0.178001        0.689276
ARGS (<ase.calculators.emt.EMT object at 0x7ffb91954440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['forces'], ['positions'])
BFGS:    1 18:26:13        0.145890        0.593748
ARGS (<ase.calculators.emt.EMT object at 0x7ffb91954440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['forces'], ['positions'])
BFGS:    2 18:26:13        0.039345        0.193106
ARGS (<ase.calculators.emt.EMT object at 0x7ffb91954440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['forces'], ['positions'])
BFGS:    3 18:26:13        0.035963        0.142278
ARGS (<ase.calculators.emt.EMT object at 0x7ffb91954440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['forces'], ['positions'])
BFGS:    4 18:26:13        0.034423        0.120206
ARGS (<ase.calculators.emt.EMT object at 0x7ffb91954440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['forces'], ['positions'])
BFGS:    5 18:26:14        0.030094        0.116579
ARGS (<ase.calculators.emt.EMT object at 0x7ffb91954440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['forces'], ['positions'])
BFGS:    6 18:26:14        0.025874        0.119814
ARGS (<ase.calculators.emt.EMT object at 0x7ffb91954440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['forces'], ['positions'])
BFGS:    7 18:26:14        0.023258        0.092895
ARGS (<ase.calculators.emt.EMT object at 0x7ffb91954440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['forces'], ['positions'])
BFGS:    8 18:26:14        0.022597        0.066366
ARGS (<ase.calculators.emt.EMT object at 0x7ffb91954440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['forces'], ['positions'])
BFGS:    9 18:26:14        0.022361        0.056367
ARGS (<ase.calculators.emt.EMT object at 0x7ffb91954440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['forces'], ['positions'])
BFGS:   10 18:26:14        0.022012        0.056626
ARGS (<ase.calculators.emt.EMT object at 0x7ffb91954440>, Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]), ['forces'], ['positions'])
BFGS:   11 18:26:14        0.021495        0.046066
.Global seed for "test/calculator/test_subprocess_calculator.py:test_subprocess_calculator_optimize" was: 155
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_subprocess_calculator_mpi0
sGlobal seed for "test/calculator/test_subprocess_calculator.py:test_subprocess_calculator_mpi" was: 7703
ARGS (<function parallel_dummy_function at 0x7f47a0378a40>, (2,), {'b': 3})
a and b 2 3
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_function_evaluation0
.Global seed for "test/calculator/test_subprocess_calculator.py:test_function_evaluation" was: 4145

calculator/test_traj.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_gamess_us_0
sGlobal seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_crystal_0
sGlobal seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_vasp_0
sGlobal seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_abinit_0
sGlobal seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_cp2k_0
sGlobal seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_emt_0
.Global seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_psi4_0
sGlobal seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_gpaw_0
sGlobal seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_aims_0
sGlobal seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657

calculator/test_ts09.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ts090
.Global seed for "test/calculator/test_ts09.py:test_ts09" was: 6792
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ts09_polarizability0
.Global seed for "test/calculator/test_ts09.py:test_ts09_polarizability" was: 3517

calculator/turbomole/test_turbomole_2h2o.py s
calculator/turbomole/test_turbomole_H2.py ss
calculator/turbomole/test_turbomole_au13.py s
calculator/turbomole/test_turbomole_calculator.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_turbomole_empty0
.Global seed for "test/calculator/turbomole/test_turbomole_calculator.py:test_turbomole_empty" was: 10320
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_turbomole_default0
.Global seed for "test/calculator/turbomole/test_turbomole_calculator.py:test_turbomole_default" was: 10604
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_execute_good0
.Global seed for "test/calculator/turbomole/test_turbomole_calculator.py:test_execute_good" was: 5963
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_execute_fail0
.Global seed for "test/calculator/turbomole/test_turbomole_calculator.py:test_execute_fail" was: 575

calculator/turbomole/test_turbomole_h2o.py ss
calculator/turbomole/test_turbomole_h3o2m.py s
calculator/turbomole/test_turbomole_optimizer.py ss
calculator/turbomole/test_turbomole_parameters.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_default0
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_default" was: 10033
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_uhf0
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_uhf" was: 8166
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_update_wron0
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_update_wrong_type" was: 747
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_update_inva0
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_update_invalid_name" was: 6801
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_restart_upd0
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_restart_update" was: 6537
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_verify_empt0
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_verify_empty_define_str" was: 11344
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_verify_mult0
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_verify_mult_ndefined" was: 8081
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_verify_mult1
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_verify_mult_wrong_value" was: 10624
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_verify_init0
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_verify_initial_guess" was: 7870
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_verify_roh0
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_verify_roh" was: 6159
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_verify_bsl0
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_verify_bsl" was: 4750
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_verify_c2v0
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_verify_c2v" was: 3229
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_tm_parameters_define_str0
.Global seed for "test/calculator/turbomole/test_turbomole_parameters.py:test_tm_parameters_define_str" was: 4208

calculator/turbomole/test_turbomole_qmmm.py s
calculator/turbomole/test_turbomole_reader.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_data_group0
.Global seed for "test/calculator/turbomole/test_turbomole_reader.py:test_parse_data_group" was: 139

calculator/turbomole/test_turbomole_statpt.py s
calculator/vasp/test_vasp_Al_volrelax.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_Al_volrelax_vasp_0
sGlobal seed for "test/calculator/vasp/test_vasp_Al_volrelax.py:test_vasp_Al_volrelax" was: 8080

calculator/vasp/test_vasp_calculator.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_verify_no_run0
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Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_check_atoms0
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calculator/vasp/test_vasp_check_state.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_check_state_vasp_0
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calculator/vasp/test_vasp_co.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_co_vasp_0
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calculator/vasp/test_vasp_converge.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_converge0
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calculator/vasp/test_vasp_kpoints.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_kpoints_1110
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calculator/vasp/test_vasp_potcar.py ss
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calculator/vasp/test_vasp_wdir.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_wdir_vasp_0
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.Global seed for "test/cell/test_niggli.py:test_niggli" was: 9561
.Global seed for "test/cell/test_niggli.py:test_niggli" was: 9561
.Global seed for "test/cell/test_niggli.py:test_niggli" was: 9561
.Global seed for "test/cell/test_niggli.py:test_niggli" was: 9561
.Global seed for "test/cell/test_niggli.py:test_niggli" was: 9561
.Global seed for "test/cell/test_niggli.py:test_niggli" was: 9561
.Global seed for "test/cell/test_niggli.py:test_niggli" was: 9561

cell/test_niggli_ndim.py .Global seed for "test/cell/test_niggli_ndim.py:test_niggli_0d" was: 2300
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_1d" was: 9923
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_2d" was: 5201
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_niggli_atoms_ndim" was: 6498
.Global seed for "test/cell/test_niggli_ndim.py:test_no_nonorthogonal_niggli" was: 3720

cell/test_niggli_op.py [ 0.94312101  1.36441944  0.24773    29.10091997  8.77798557 24.12282687]
[[-1  1 -3]
 [ 0  0  1]
 [ 4 -3  6]]
9.379164112033322e-13
[ 0.63553324  0.97788744  0.81364113 15.10448253  2.80203038 13.85230099]
[[ 4 -5  4]
 [ 0  0 -1]
 [-3  4 -2]]
1.8189894035458565e-12
[ 0.56560349  0.83609039  0.9996961  23.0216384  12.52604503 30.60824566]
[[ 2  2  1]
 [ 0  1  1]
 [-1 -2 -1]]
8.526512829121202e-14
[ 1.03759401  1.48989137  0.93095543 33.02973861 64.17962269 31.15812862]
[[  1  12   8]
 [ -1 -14  -9]
 [  1  13   8]]
6.012612630001968e-11
[ 0.93212725  0.66016129  0.6058941  10.05863659 26.78366173 27.98946747]
[[ 0 -1  1]
 [-1  1  1]
 [ 1  0 -3]]
5.684341886080802e-14
.Global seed for "test/cell/test_niggli_op.py:test_niggli_op" was: 7457

cell/test_standard_form.py .Global seed for "test/cell/test_standard_form.py:test_standard_form" was: 10219

cell/test_supercell.py .Global seed for "test/cell/test_supercell.py:test_supercell" was: 7414
.Global seed for "test/cell/test_supercell.py:test_bcc_to_cub_transformation" was: 8422
natoms 1 err 7.105427357601002e-15
natoms 12 err 9.325873406851315e-15
natoms 10 err 6.9284855630513675e-15
natoms 4 err 5.773159728050814e-15
natoms 1 err 3.552713678800501e-15
natoms 6 err 8.881784197001252e-15
natoms 4 err 6.217248937900877e-15
natoms 2 err 5.329070518200751e-15
natoms 8 err 6.439293542825908e-15
natoms 6 err 1.0361503322009469e-14
.Global seed for "test/cell/test_supercell.py:test_random_transformations" was: 9830
.Global seed for "test/cell/test_supercell.py:test_supercell_issue_938" was: 686

cli/test_ag.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ag0
.Global seed for "test/cli/test_ag.py:test_ag" was: 532

cli/test_bandstructure.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ase_bandstructure0
.Global seed for "test/cli/test_bandstructure.py:test_ase_bandstructure" was: 4898

cli/test_bzplot.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bzplot_3_dim_0
.Global seed for "test/cli/test_bzplot.py:test_bzplot" was: 5557
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bzplot_2_dim_0
.Global seed for "test/cli/test_bzplot.py:test_bzplot" was: 5557
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bzplot_1_dim_0
.Global seed for "test/cli/test_bzplot.py:test_bzplot" was: 5557

cli/test_complete.py .Global seed for "test/cli/test_complete.py:test_complete" was: 10648

cli/test_convert.py .Global seed for "test/cli/test_convert.py:test_convert" was: 8405

cli/test_diff.py                 Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:26:17        3.323870       0.2462
BFGSLineSearch:    1[  1] 18:26:17        3.314754       0.0378
BFGSLineSearch:    2[  3] 18:26:17        3.314409       0.0165
.Global seed for "test/cli/test_diff.py:test_singleFile_falseCalc_multipleImages" was: 11321
.Global seed for "test/cli/test_diff.py:test_singleFile_trueCalc_multipleImages" was: 3141
.Global seed for "test/cli/test_diff.py:test_twoFiles_falseCalc_singleImage" was: 11321
.Global seed for "test/cli/test_diff.py:test_twoFiles_trueCalc_singleImage" was: 7282
.Global seed for "test/cli/test_diff.py:test_twoFiles_falseCalc_multipleImages" was: 4403
.Global seed for "test/cli/test_diff.py:test_twoFiles_trueCalc_multipleImages" was: 7039
.Global seed for "test/cli/test_diff.py:test_cli_opt" was: 4938
.Global seed for "test/cli/test_diff.py:test_template_functions" was: 215
.Global seed for "test/cli/test_diff.py:test_template_classes" was: 1153

cli/test_dimensionality.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_layer_False_0
.Global seed for "test/cli/test_dimensionality.py:test_single" was: 7237
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_layer_True_0
.Global seed for "test/cli/test_dimensionality.py:test_single" was: 7237
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_bulk_False_0
.Global seed for "test/cli/test_dimensionality.py:test_single" was: 7237
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_bulk_True_0
.Global seed for "test/cli/test_dimensionality.py:test_single" was: 7237

cli/test_exec.py usage: ase exec [-h] [-e EXEC_CODE] [-E EXEC_FILE] [-i FORMAT] [-n NUMBER]
                [--read-args KEY=VALUE [KEY=VALUE ...]]
                input-file [input-file ...]
ase exec: error: At least one of '-e' or '-E' must be provided
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_exec_fail_withoutcode0
.Global seed for "test/cli/test_exec.py:test_exec_fail_withoutcode" was: 1410
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_exec_atoms0
.Global seed for "test/cli/test_exec.py:test_exec_atoms" was: 167
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_exec_index0
.Global seed for "test/cli/test_exec.py:test_exec_index" was: 4552
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_exec_images0
.Global seed for "test/cli/test_exec.py:test_exec_images" was: 8823
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_exec_file0
.Global seed for "test/cli/test_exec.py:test_exec_file" was: 12340

cli/test_imports.py .Global seed for "test/cli/test_imports.py:test_imports" was: 2897

cli/test_info.py .Global seed for "test/cli/test_info.py:test_info" was: 4570
.Global seed for "test/cli/test_info.py:test_info_formats" was: 8169
.Global seed for "test/cli/test_info.py:test_info_calculators" was: 1858
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_info_file_ok0
.Global seed for "test/cli/test_info.py:test_info_file_ok" was: 12302
.Global seed for "test/cli/test_info.py:test_info_file_fail" was: 6654

cli/test_run.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_run_eos0
volumes: [15.98080768 16.64200032 17.3211835  18.01859871]
energies: [0.01745120490873564, -7.88534814946118e-05, 0.012073049531008628, 0.04904069271734368]
fitted energy: -0.00013539413895102825
fitted volume: 16.68358550488157
bulk modulus: 1.0852003245594581
eos type: sjeos

.Global seed for "test/cli/test_run.py:test_run_eos" was: 1797

constraints/test_CO2linear_Au111.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_au111_False_0
      Step     Time          Energy          fmax
BFGS:    0 18:26:21        7.561109       16.284366
BFGS:    1 18:26:21        4.128567        4.125883
BFGS:    2 18:26:21        3.452053        1.676668
BFGS:    3 18:26:21        3.076748        0.812893
BFGS:    4 18:26:21        2.938451        0.763856
BFGS:    5 18:26:21        2.840313        0.828248
BFGS:    6 18:26:21        2.771979        0.712877
BFGS:    7 18:26:21        2.729886        0.579690
BFGS:    8 18:26:21        2.698008        0.372445
BFGS:    9 18:26:21        2.668628        0.423726
BFGS:   10 18:26:21        2.646426        0.384542
BFGS:   11 18:26:21        2.626110        0.365045
BFGS:   12 18:26:21        2.600137        0.332212
BFGS:   13 18:26:21        2.578640        0.248491
BFGS:   14 18:26:21        2.566459        0.195686
BFGS:   15 18:26:21        2.560183        0.163398
BFGS:   16 18:26:21        2.555909        0.130484
BFGS:   17 18:26:21        2.549642        0.134133
BFGS:   18 18:26:21        2.544320        0.111270
BFGS:   19 18:26:21        2.541376        0.071135
BFGS:   20 18:26:21        2.540041        0.074447
BFGS:   21 18:26:21        2.539191        0.064931
BFGS:   22 18:26:21        2.538287        0.048483
.Global seed for "test/constraints/test_CO2linear_Au111.py:test_au111" was: 6293
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_au111_True_0
      Step     Time          Energy          fmax
BFGS:    0 18:26:21        7.561109       16.284366
BFGS:    1 18:26:21        4.128567        4.125883
BFGS:    2 18:26:21        3.452053        1.676668
BFGS:    3 18:26:21        3.076748        0.812893
BFGS:    4 18:26:21        2.938451        0.763856
BFGS:    5 18:26:21        2.840313        0.828248
BFGS:    6 18:26:21        2.771979        0.712877
BFGS:    7 18:26:21        2.729886        0.579690
BFGS:    8 18:26:21        2.698008        0.372445
BFGS:    9 18:26:21        2.668628        0.423726
BFGS:   10 18:26:22        2.646426        0.384542
BFGS:   11 18:26:22        2.626110        0.365045
BFGS:   12 18:26:22        2.600137        0.332212
BFGS:   13 18:26:22        2.578640        0.248491
BFGS:   14 18:26:22        2.566459        0.195686
BFGS:   15 18:26:22        2.560183        0.163398
BFGS:   16 18:26:22        2.555909        0.130484
BFGS:   17 18:26:22        2.549642        0.134133
BFGS:   18 18:26:22        2.544320        0.111270
BFGS:   19 18:26:22        2.541376        0.071135
BFGS:   20 18:26:22        2.540041        0.074447
BFGS:   21 18:26:22        2.539191        0.064931
BFGS:   22 18:26:22        2.538287        0.048483
.Global seed for "test/constraints/test_CO2linear_Au111.py:test_au111" was: 6293

constraints/test_external_force.py       Step     Time          Energy          fmax
FIRE:    0 18:26:22        2.089514        6.204335
FIRE:    1 18:26:22        1.809958        3.586324
FIRE:    2 18:26:22        1.745239        3.133771
FIRE:    3 18:26:22        1.662928        2.119746
FIRE:    4 18:26:22        1.627775        1.701188
FIRE:    5 18:26:22        1.624733        1.593994
FIRE:    6 18:26:22        1.619371        1.393791
FIRE:    7 18:26:22        1.612856        1.126453
FIRE:    8 18:26:22        1.606371        0.825385
FIRE:    9 18:26:22        1.600695        0.778596
FIRE:   10 18:26:22        1.595974        0.806870
FIRE:   11 18:26:22        1.591793        0.801466
FIRE:   12 18:26:22        1.587084        0.856083
FIRE:   13 18:26:22        1.581170        0.914887
FIRE:   14 18:26:22        1.573494        0.900151
FIRE:   15 18:26:22        1.563560        0.820807
FIRE:   16 18:26:22        1.550463        0.810042
FIRE:   17 18:26:22        1.532646        0.899445
FIRE:   18 18:26:22        1.508882        0.815008
FIRE:   19 18:26:22        1.479784        0.654968
FIRE:   20 18:26:22        1.447047        0.710295
FIRE:   21 18:26:22        1.413290        0.554541
FIRE:   22 18:26:22        1.393679        0.411763
FIRE:   23 18:26:22        1.414821        1.076763
FIRE:   24 18:26:22        1.411725        0.913448
FIRE:   25 18:26:22        1.407224        0.640580
FIRE:   26 18:26:22        1.403233        0.507220
FIRE:   27 18:26:22        1.400327        0.627934
FIRE:   28 18:26:22        1.397713        0.635156
FIRE:   29 18:26:22        1.394817        0.510780
FIRE:   30 18:26:22        1.392262        0.266605
FIRE:   31 18:26:22        1.391423        0.132949
FIRE:   32 18:26:22        1.391407        0.126099
FIRE:   33 18:26:22        1.391379        0.112870
FIRE:   34 18:26:22        1.391345        0.094188
FIRE:   35 18:26:22        1.391313        0.071443
FIRE:   36 18:26:22        1.391289        0.046680
FIRE:   37 18:26:22        1.391276        0.035500
FIRE:   38 18:26:22        1.391272        0.052991
FIRE:   39 18:26:22        1.391272        0.052503
FIRE:   40 18:26:22        1.391271        0.051535
FIRE:   41 18:26:22        1.391269        0.050101
FIRE:   42 18:26:22        1.391267        0.048227
FIRE:   43 18:26:22        1.391265        0.045943
FIRE:   44 18:26:22        1.391263        0.043290
FIRE:   45 18:26:22        1.391260        0.040320
FIRE:   46 18:26:22        1.391257        0.036738
FIRE:   47 18:26:22        1.391254        0.032521
FIRE:   48 18:26:22        1.391250        0.027710
FIRE:   49 18:26:22        1.391246        0.022450
FIRE:   50 18:26:22        1.391242        0.023638
FIRE:   51 18:26:22        1.391237        0.025691
FIRE:   52 18:26:22        1.391233        0.026693
FIRE:   53 18:26:22        1.391228        0.025951
FIRE:   54 18:26:22        1.391222        0.022831
FIRE:   55 18:26:22        1.391216        0.016900
FIRE:   56 18:26:22        1.391212        0.008182
FIRE:   57 18:26:22        1.391210        0.006387
FIRE:   58 18:26:22        1.391210        0.010158
FIRE:   59 18:26:22        1.391210        0.009743
FIRE:   60 18:26:22        1.391210        0.008933
FIRE:   61 18:26:22        1.391210        0.007768
FIRE:   62 18:26:22        1.391210        0.006307
FIRE:   63 18:26:22        1.391209        0.004629
FIRE:   64 18:26:22        1.391209        0.002852
FIRE:   65 18:26:22        1.391209        0.002108
FIRE:   66 18:26:22        1.391209        0.003602
FIRE:   67 18:26:22        1.391209        0.003568
FIRE:   68 18:26:22        1.391209        0.003500
FIRE:   69 18:26:22        1.391209        0.003400
FIRE:   70 18:26:22        1.391209        0.003269
FIRE:   71 18:26:22        1.391209        0.003108
FIRE:   72 18:26:22        1.391209        0.002921
FIRE:   73 18:26:22        1.391209        0.002710
FIRE:   74 18:26:22        1.391209        0.002454
FIRE:   75 18:26:22        1.391209        0.002150
FIRE:   76 18:26:22        1.391209        0.001798
FIRE:   77 18:26:22        1.391209        0.001408
FIRE:   78 18:26:22        1.391209        0.001315
FIRE:   79 18:26:22        1.391209        0.001524
FIRE:   80 18:26:22        1.391209        0.001680
FIRE:   81 18:26:22        1.391209        0.001732
FIRE:   82 18:26:22        1.391209        0.001634
FIRE:   83 18:26:22        1.391209        0.001349
FIRE:   84 18:26:22        1.391209        0.000862
      Step     Time          Energy          fmax
FIRE:    0 18:26:22        1.208648        0.199294
FIRE:    1 18:26:22        1.208162        0.135928
FIRE:    2 18:26:22        1.207811        0.170600
FIRE:    3 18:26:22        1.207411        0.015278
FIRE:    4 18:26:22        1.207591        0.128027
FIRE:    5 18:26:22        1.207529        0.093352
FIRE:    6 18:26:22        1.207474        0.035978
FIRE:    7 18:26:22        1.207474        0.058884
FIRE:    8 18:26:22        1.207470        0.055331
FIRE:    9 18:26:22        1.207462        0.048591
FIRE:   10 18:26:22        1.207453        0.039444
FIRE:   11 18:26:22        1.207445        0.029235
FIRE:   12 18:26:22        1.207438        0.020511
FIRE:   13 18:26:22        1.207434        0.030169
FIRE:   14 18:26:22        1.207431        0.036594
FIRE:   15 18:26:22        1.207427        0.039132
FIRE:   16 18:26:22        1.207421        0.036527
FIRE:   17 18:26:22        1.207412        0.027951
FIRE:   18 18:26:22        1.207405        0.013462
FIRE:   19 18:26:22        1.207402        0.009890
FIRE:   20 18:26:22        1.207401        0.009462
FIRE:   21 18:26:22        1.207401        0.008634
FIRE:   22 18:26:22        1.207401        0.007461
FIRE:   23 18:26:22        1.207401        0.006032
FIRE:   24 18:26:22        1.207401        0.004486
FIRE:   25 18:26:22        1.207401        0.003081
FIRE:   26 18:26:22        1.207401        0.003813
FIRE:   27 18:26:22        1.207400        0.005102
FIRE:   28 18:26:22        1.207400        0.005922
FIRE:   29 18:26:22        1.207400        0.006094
FIRE:   30 18:26:22        1.207400        0.005467
FIRE:   31 18:26:22        1.207400        0.003953
FIRE:   32 18:26:22        1.207400        0.001591
FIRE:   33 18:26:22        1.207400        0.001674
FIRE:   34 18:26:22        1.207400        0.001594
FIRE:   35 18:26:22        1.207400        0.001440
FIRE:   36 18:26:22        1.207400        0.001218
FIRE:   37 18:26:22        1.207400        0.000944
      Step     Time          Energy          fmax
FIRE:    0 18:26:22        1.207400        0.000558
      Step     Time          Energy          fmax
FIRE:    0 18:26:22        1.392549        0.000558
      Step     Time          Energy          fmax
FIRE:    0 18:26:22        1.022250        0.199099
FIRE:    1 18:26:22        1.021688        0.108609
FIRE:    2 18:26:22        1.021333        0.113118
FIRE:    3 18:26:22        1.021111        0.125834
FIRE:    4 18:26:22        1.020985        0.032200
FIRE:    5 18:26:22        1.020980        0.029968
FIRE:    6 18:26:22        1.020970        0.025802
FIRE:    7 18:26:22        1.020960        0.020283
FIRE:    8 18:26:22        1.020949        0.017263
FIRE:    9 18:26:22        1.020940        0.016367
FIRE:   10 18:26:22        1.020932        0.012932
FIRE:   11 18:26:22        1.020927        0.008056
FIRE:   12 18:26:22        1.020927        0.002491
FIRE:   13 18:26:22        1.020927        0.002447
FIRE:   14 18:26:22        1.020927        0.002360
FIRE:   15 18:26:22        1.020927        0.002234
FIRE:   16 18:26:22        1.020927        0.002125
FIRE:   17 18:26:22        1.020927        0.002027
FIRE:   18 18:26:22        1.020926        0.001905
FIRE:   19 18:26:22        1.020926        0.001757
FIRE:   20 18:26:22        1.020926        0.001561
FIRE:   21 18:26:22        1.020926        0.001306
FIRE:   22 18:26:22        1.020926        0.000977
.Global seed for "test/constraints/test_external_force.py:test_external_force" was: 1962

constraints/test_fix_bond_length_mic.py .Global seed for "test/constraints/test_fix_bond_length_mic.py:test_fix_bond_length_mic" was: 7846
.Global seed for "test/constraints/test_fix_bond_length_mic.py:test_fix_bond_length_mic" was: 7846

constraints/test_fixatoms.py slice(0, -1, None) None []
slice(0, 1, None) [0] [FixAtoms(indices=[0])]
slice(0, None, None) None []
0 [0] [FixAtoms(indices=[0])]
1 [0] [FixAtoms(indices=[0])]
2 [0, 1] [FixAtoms(indices=[0, 1])]
-1 [0, 1] [FixAtoms(indices=[0, 1])]
.Global seed for "test/constraints/test_fixatoms.py:test_fixatoms" was: 6679

constraints/test_fixbondlength_CO2_Au111.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_CO2_Au111_False_0
      Step     Time          Energy          fmax
BFGS:    0 18:26:22        7.561109       16.284366
BFGS:    1 18:26:22        4.104352        4.136821
BFGS:    2 18:26:22        3.432328        1.758117
BFGS:    3 18:26:22        3.062728        0.873894
BFGS:    4 18:26:22        2.925419        0.764304
BFGS:    5 18:26:22        2.828797        0.816924
BFGS:    6 18:26:22        2.763324        0.707204
BFGS:    7 18:26:22        2.723496        0.561150
BFGS:    8 18:26:22        2.692812        0.368622
BFGS:    9 18:26:22        2.664246        0.419876
BFGS:   10 18:26:22        2.642732        0.383772
BFGS:   11 18:26:22        2.623490        0.344693
BFGS:   12 18:26:22        2.598798        0.318062
BFGS:   13 18:26:22        2.577867        0.243166
BFGS:   14 18:26:22        2.565966        0.190611
BFGS:   15 18:26:22        2.559606        0.159433
BFGS:   16 18:26:22        2.555268        0.141820
BFGS:   17 18:26:22        2.549099        0.117843
BFGS:   18 18:26:22        2.543604        0.097004
BFGS:   19 18:26:22        2.540402        0.076024
BFGS:   20 18:26:22        2.538879        0.077126
BFGS:   21 18:26:22        2.537894        0.068030
BFGS:   22 18:26:22        2.536839        0.052589
BFGS:   23 18:26:22        2.535623        0.049308
.Global seed for "test/constraints/test_fixbondlength_CO2_Au111.py:test_CO2_Au111" was: 1323
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_CO2_Au111_True_0
      Step     Time          Energy          fmax
BFGS:    0 18:26:22        7.561109       16.284366
BFGS:    1 18:26:22        4.104352        4.136821
BFGS:    2 18:26:22        3.432328        1.758117
BFGS:    3 18:26:22        3.062728        0.873894
BFGS:    4 18:26:22        2.925419        0.764304
BFGS:    5 18:26:22        2.828797        0.816924
BFGS:    6 18:26:23        2.763324        0.707204
BFGS:    7 18:26:23        2.723496        0.561150
BFGS:    8 18:26:23        2.692812        0.368622
BFGS:    9 18:26:23        2.664246        0.419876
BFGS:   10 18:26:23        2.642732        0.383772
BFGS:   11 18:26:23        2.623490        0.344693
BFGS:   12 18:26:23        2.598798        0.318062
BFGS:   13 18:26:23        2.577867        0.243166
BFGS:   14 18:26:23        2.565966        0.190611
BFGS:   15 18:26:23        2.559606        0.159433
BFGS:   16 18:26:23        2.555268        0.141820
BFGS:   17 18:26:23        2.549099        0.117843
BFGS:   18 18:26:23        2.543604        0.097004
BFGS:   19 18:26:23        2.540402        0.076024
BFGS:   20 18:26:23        2.538879        0.077126
BFGS:   21 18:26:23        2.537894        0.068030
BFGS:   22 18:26:23        2.536839        0.052589
BFGS:   23 18:26:23        2.535623        0.049308
.Global seed for "test/constraints/test_fixbondlength_CO2_Au111.py:test_CO2_Au111" was: 1323

constraints/test_fixbonds.py .Global seed for "test/constraints/test_fixbonds.py:test_fixbonds" was: 10361

constraints/test_fixcartesian.py .Global seed for "test/constraints/test_fixcartesian.py:test_fixcartesian_misc" was: 3142
.Global seed for "test/constraints/test_fixcartesian.py:test_fixcartesian_adjust" was: 3069

constraints/test_fixcom.py       Step     Time          Energy          fmax
BFGS:    0 18:26:23        2.619811        6.721834
BFGS:    1 18:26:23        1.909698        1.133878
BFGS:    2 18:26:23        1.881552        0.320863
BFGS:    3 18:26:23        1.878904        0.024521
.Global seed for "test/constraints/test_fixcom.py:test_center_of_mass_position" was: 11887
.Global seed for "test/constraints/test_fixcom.py:test_center_of_mass_velocity" was: 11815
.Global seed for "test/constraints/test_fixcom.py:test_center_of_mass_force" was: 4460

constraints/test_fixedline_fixedplane.py .Global seed for "test/constraints/test_fixedline_fixedplane.py:test_valid_inputs_indices" was: 9890
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_valid_inputs_indices" was: 9890
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_valid_inputs_indices" was: 9890
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_valid_inputs_indices" was: 9890
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_valid_inputs_indices" was: 9890
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_valid_inputs_indices" was: 9890
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_valid_inputs_indices" was: 9890
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_valid_inputs_indices" was: 9890
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_invalid_inputs_indices" was: 1894
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_invalid_inputs_indices" was: 1894
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_invalid_inputs_indices" was: 1894
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_invalid_inputs_indices" was: 1894
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_valid_inputs_direction" was: 1742
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_valid_inputs_direction" was: 1742
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_valid_inputs_direction" was: 1742
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_valid_inputs_direction" was: 1742
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_invalid_inputs_direction" was: 2936
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_invalid_inputs_direction" was: 2936
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_invalid_inputs_direction" was: 2936
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_invalid_inputs_direction" was: 2936
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_invalid_inputs_direction" was: 2936
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_invalid_inputs_direction" was: 2936
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_repr_fixedline" was: 4441
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_repr_fixedline" was: 4441
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_repr_fixedline" was: 4441
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_repr_fixedline" was: 4441
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_repr_fixedline" was: 4441
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_repr_fixedline" was: 4441
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_removed_dof_fixedline" was: 3892
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_removed_dof_fixedline" was: 3892
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_removed_dof_fixedline" was: 3892
      Step     Time          Energy          fmax
BFGS:    0 18:26:23        3.852075        4.657027
BFGS:    1 18:26:23        2.803829        2.795713
BFGS:    2 18:26:23        2.444123        1.253461
BFGS:    3 18:26:23        2.349382        1.279869
BFGS:    4 18:26:23        2.260444        1.244880
BFGS:    5 18:26:23        2.124468        1.367834
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_constrained_optimization_fixedline" was: 3003
      Step     Time          Energy          fmax
BFGS:    0 18:26:23        3.852075        4.657027
BFGS:    1 18:26:23        2.859488        2.751541
BFGS:    2 18:26:23        2.549678        0.909175
BFGS:    3 18:26:23        2.508579        0.630935
BFGS:    4 18:26:23        2.483217        0.559247
BFGS:    5 18:26:23        2.446268        0.650378
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_constrained_optimization_fixedline" was: 3003
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_repr_fixedplane" was: 4357
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_repr_fixedplane" was: 4357
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_repr_fixedplane" was: 4357
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_repr_fixedplane" was: 4357
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_repr_fixedplane" was: 4357
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_repr_fixedplane" was: 4357
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_removed_dof_fixedplane" was: 10949
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_removed_dof_fixedplane" was: 10949
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_removed_dof_fixedplane" was: 10949
      Step     Time          Energy          fmax
BFGS:    0 18:26:23        3.852075        4.657027
BFGS:    1 18:26:23        2.587578        2.784893
BFGS:    2 18:26:23        2.173547        0.938355
BFGS:    3 18:26:23        2.106008        0.674815
BFGS:    4 18:26:23        2.064740        0.561767
BFGS:    5 18:26:23        2.020920        0.230509
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_constrained_optimization_fixedplane" was: 3300
      Step     Time          Energy          fmax
BFGS:    0 18:26:23        3.852075        4.657027
BFGS:    1 18:26:23        2.657445        2.861997
BFGS:    2 18:26:23        2.162188        0.907013
BFGS:    3 18:26:23        2.108108        0.706694
BFGS:    4 18:26:23        2.065886        0.525020
BFGS:    5 18:26:23        2.034734        0.270796
.Global seed for "test/constraints/test_fixedline_fixedplane.py:test_constrained_optimization_fixedplane" was: 3300

constraints/test_fixedmode.py .Global seed for "test/constraints/test_fixedmode.py:test_fixedmode" was: 1878

constraints/test_fixinternals.py angle before 117.93902725683593
dihedral before 202.07335200816098
bond length before 1.2721168996143666
target bondlength 1.4
-----Optimization-----
      Step     Time          Energy          fmax
BFGS:    0 18:26:23       39.657895       73.877620
BFGS:    1 18:26:23       10.433554       22.289135
BFGS:    2 18:26:23        5.519488       15.749975
BFGS:    3 18:26:23        3.052306        6.126263
BFGS:    4 18:26:23        2.096673        2.375090
BFGS:    5 18:26:23        1.846172        0.683917
BFGS:    6 18:26:23        1.801984        0.371929
BFGS:    7 18:26:23        1.790153        0.311909
BFGS:    8 18:26:23        1.782561        0.315026
BFGS:    9 18:26:23        1.771996        0.346199
BFGS:   10 18:26:23        1.751541        0.622388
BFGS:   11 18:26:23        1.702310        1.161531
BFGS:   12 18:26:23        1.694197        1.551570
BFGS:   13 18:26:23        1.614416        1.167639
BFGS:   14 18:26:23        1.538879        0.808635
BFGS:   15 18:26:23        1.456439        0.576784
BFGS:   16 18:26:23        1.449931        0.162481
BFGS:   17 18:26:23        1.447669        0.117281
BFGS:   18 18:26:23        1.446078        0.099918
BFGS:   19 18:26:23        1.445225        0.112921
BFGS:   20 18:26:23        1.442198        0.191615
BFGS:   21 18:26:23        1.437356        0.302599
BFGS:   22 18:26:23        1.428890        0.448985
BFGS:   23 18:26:23        1.422435        0.432767
BFGS:   24 18:26:23        1.415162        0.260365
BFGS:   25 18:26:23        1.410889        0.204489
BFGS:   26 18:26:23        1.409080        0.170127
BFGS:   27 18:26:23        1.407649        0.095381
BFGS:   28 18:26:23        1.406850        0.077412
BFGS:   29 18:26:23        1.406189        0.085110
BFGS:   30 18:26:23        1.405499        0.098422
BFGS:   31 18:26:23        1.404625        0.129097
BFGS:   32 18:26:23        1.403319        0.144105
BFGS:   33 18:26:23        1.401027        0.178078
BFGS:   34 18:26:23        1.397712        0.204303
BFGS:   35 18:26:23        1.394233        0.189613
BFGS:   36 18:26:23        1.391713        0.110438
BFGS:   37 18:26:23        1.390437        0.072931
BFGS:   38 18:26:23        1.390115        0.054252
BFGS:   39 18:26:23        1.389900        0.055631
BFGS:   40 18:26:23        1.389672        0.058378
BFGS:   41 18:26:23        1.389279        0.091776
BFGS:   42 18:26:23        1.388322        0.154238
BFGS:   43 18:26:23        1.385815        0.290141
BFGS:   44 18:26:23        1.380751        0.445610
BFGS:   45 18:26:23        1.377173        0.372615
BFGS:   46 18:26:23        1.373539        0.194064
BFGS:   47 18:26:23        1.372591        0.097171
BFGS:   48 18:26:23        1.370962        0.102478
BFGS:   49 18:26:23        1.370568        0.070369
BFGS:   50 18:26:23        1.370181        0.064533
BFGS:   51 18:26:23        1.369717        0.063647
BFGS:   52 18:26:23        1.369395        0.065097
BFGS:   53 18:26:23        1.368816        0.065213
BFGS:   54 18:26:23        1.368015        0.094248
BFGS:   55 18:26:23        1.366436        0.128100
BFGS:   56 18:26:23        1.364090        0.133374
BFGS:   57 18:26:23        1.361691        0.123159
BFGS:   58 18:26:23        1.360568        0.082662
BFGS:   59 18:26:23        1.360164        0.053520
BFGS:   60 18:26:23        1.359981        0.037381
BFGS:   61 18:26:23        1.359834        0.040731
BFGS:   62 18:26:23        1.359618        0.035154
BFGS:   63 18:26:23        1.359391        0.039418
BFGS:   64 18:26:23        1.358839        0.083269
BFGS:   65 18:26:23        1.357555        0.152180
BFGS:   66 18:26:23        1.355371        0.295016
BFGS:   67 18:26:23        1.351854        0.291466
BFGS:   68 18:26:23        1.343899        0.267328
BFGS:   69 18:26:23        1.341291        0.393704
BFGS:   70 18:26:23        1.332826        0.292472
BFGS:   71 18:26:23        1.331000        0.274201
BFGS:   72 18:26:23        1.325721        0.081638
BFGS:   73 18:26:23        1.324595        0.120026
BFGS:   74 18:26:23        1.323722        0.097231
BFGS:   75 18:26:23        1.322669        0.090491
BFGS:   76 18:26:23        1.321012        0.122463
BFGS:   77 18:26:23        1.315854        0.175199
BFGS:   78 18:26:23        1.308592        0.216036
BFGS:   79 18:26:23        1.301002        0.226757
BFGS:   80 18:26:23        1.293410        0.258616
BFGS:   81 18:26:23        1.293247        0.248158
BFGS:   82 18:26:23        1.287144        0.183971
BFGS:   83 18:26:23        1.285194        0.158592
BFGS:   84 18:26:23        1.282988        0.107060
BFGS:   85 18:26:23        1.281237        0.065093
BFGS:   86 18:26:23        1.280648        0.055638
BFGS:   87 18:26:23        1.280189        0.054784
BFGS:   88 18:26:23        1.279507        0.053558
BFGS:   89 18:26:23        1.278678        0.063902
BFGS:   90 18:26:24        1.277490        0.069877
BFGS:   91 18:26:24        1.276294        0.079287
BFGS:   92 18:26:24        1.275229        0.080382
BFGS:   93 18:26:24        1.274376        0.074516
BFGS:   94 18:26:24        1.273633        0.064475
BFGS:   95 18:26:24        1.272935        0.061394
BFGS:   96 18:26:24        1.272141        0.057413
BFGS:   97 18:26:24        1.270947        0.059196
BFGS:   98 18:26:24        1.269817        0.053137
BFGS:   99 18:26:24        1.269487        0.038432
BFGS:  100 18:26:24        1.269259        0.033939
BFGS:  101 18:26:24        1.268986        0.021227
BFGS:  102 18:26:24        1.268873        0.024066
BFGS:  103 18:26:24        1.268836        0.017265
BFGS:  104 18:26:24        1.268796        0.015538
BFGS:  105 18:26:24        1.268742        0.016997
BFGS:  106 18:26:24        1.268592        0.022617
BFGS:  107 18:26:24        1.268307        0.030890
BFGS:  108 18:26:24        1.267801        0.040644
BFGS:  109 18:26:24        1.267213        0.036137
BFGS:  110 18:26:24        1.266834        0.017945
BFGS:  111 18:26:24        1.266750        0.009680
angle after 117.93902725683589
dihedral after 202.07335200816098
bondlength after 1.3999999999999917
error in angle -4.263256414560601e-14
error in dihedral 0.0
error in bondlength -8.215650382226158e-15
.Global seed for "test/constraints/test_fixinternals.py:test_fixinternals" was: 3915
      Step     Time          Energy          fmax
BFGS:    0 18:26:24       39.657895       73.877620
BFGS:    1 18:26:24        9.799425       19.088310
BFGS:    2 18:26:24        4.498120       12.990687
BFGS:    3 18:26:24        2.373172        4.006929
BFGS:    4 18:26:24        1.911011        1.602763
BFGS:    5 18:26:24        1.784435        0.870907
BFGS:    6 18:26:24        1.756407        0.304900
BFGS:    7 18:26:24        1.752091        0.148002
BFGS:    8 18:26:24        1.749894        0.151714
BFGS:    9 18:26:24        1.747923        0.170416
BFGS:   10 18:26:24        1.743819        0.239239
BFGS:   11 18:26:24        1.732584        0.404392
BFGS:   12 18:26:24        1.682220        0.884615
BFGS:   13 18:26:24        1.690207        1.430516
BFGS:   14 18:26:24        1.626869        0.884987
BFGS:   15 18:26:24        1.575247        0.826623
BFGS:   16 18:26:24        1.465288        0.496690
BFGS:   17 18:26:24        1.447073        0.288583
BFGS:   18 18:26:24        1.438514        0.198038
BFGS:   19 18:26:24        1.434054        0.163677
BFGS:   20 18:26:24        1.432248        0.148848
BFGS:   21 18:26:24        1.427348        0.211315
BFGS:   22 18:26:24        1.423369        0.245671
BFGS:   23 18:26:24        1.417634        0.249983
BFGS:   24 18:26:24        1.412432        0.243757
BFGS:   25 18:26:24        1.406327        0.336888
BFGS:   26 18:26:24        1.400418        0.421127
BFGS:   27 18:26:24        1.391417        0.440329
BFGS:   28 18:26:24        1.383101        0.296887
BFGS:   29 18:26:24        1.379909        0.163786
BFGS:   30 18:26:24        1.378202        0.114000
BFGS:   31 18:26:24        1.376921        0.161905
BFGS:   32 18:26:24        1.375964        0.180212
BFGS:   33 18:26:24        1.374657        0.150954
BFGS:   34 18:26:24        1.371866        0.111088
BFGS:   35 18:26:24        1.368972        0.143616
BFGS:   36 18:26:24        1.366154        0.151755
BFGS:   37 18:26:24        1.364079        0.129816
BFGS:   38 18:26:24        1.361953        0.081248
BFGS:   39 18:26:24        1.360896        0.074684
BFGS:   40 18:26:24        1.360076        0.067944
BFGS:   41 18:26:24        1.359009        0.111726
BFGS:   42 18:26:24        1.357087        0.152448
BFGS:   43 18:26:24        1.352378        0.208361
BFGS:   44 18:26:24        1.350742        0.353434
BFGS:   45 18:26:24        1.344030        0.313432
BFGS:   46 18:26:24        1.339498        0.141716
BFGS:   47 18:26:24        1.332437        0.066436
BFGS:   48 18:26:24        1.331965        0.059783
BFGS:   49 18:26:24        1.331371        0.054989
BFGS:   50 18:26:24        1.331046        0.052165
BFGS:   51 18:26:24        1.330500        0.055049
BFGS:   52 18:26:24        1.329644        0.078131
BFGS:   53 18:26:24        1.328108        0.101689
BFGS:   54 18:26:24        1.325750        0.121253
BFGS:   55 18:26:24        1.322981        0.133834
BFGS:   56 18:26:24        1.320549        0.091049
BFGS:   57 18:26:24        1.319229        0.062332
BFGS:   58 18:26:24        1.319019        0.057090
BFGS:   59 18:26:24        1.318676        0.056261
BFGS:   60 18:26:24        1.318096        0.068047
BFGS:   61 18:26:24        1.316626        0.094350
BFGS:   62 18:26:24        1.314309        0.126851
BFGS:   63 18:26:24        1.312304        0.138827
BFGS:   64 18:26:24        1.309797        0.088450
BFGS:   65 18:26:24        1.309016        0.124821
BFGS:   66 18:26:24        1.308236        0.127042
BFGS:   67 18:26:24        1.305711        0.144942
BFGS:   68 18:26:24        1.303835        0.212816
BFGS:   69 18:26:24        1.300027        0.150099
BFGS:   70 18:26:24        1.297016        0.078308
BFGS:   71 18:26:24        1.295355        0.154067
BFGS:   72 18:26:24        1.294969        0.074468
BFGS:   73 18:26:24        1.294239        0.052024
BFGS:   74 18:26:24        1.293775        0.054838
BFGS:   75 18:26:24        1.292943        0.072596
BFGS:   76 18:26:24        1.291976        0.081602
BFGS:   77 18:26:24        1.290296        0.090901
BFGS:   78 18:26:24        1.288380        0.082335
BFGS:   79 18:26:24        1.288280        0.097172
BFGS:   80 18:26:24        1.285840        0.188682
BFGS:   81 18:26:24        1.284681        0.138502
BFGS:   82 18:26:24        1.282492        0.132276
BFGS:   83 18:26:24        1.277667        0.125496
BFGS:   84 18:26:24        1.275103        0.124583
BFGS:   85 18:26:24        1.272428        0.157370
BFGS:   86 18:26:24        1.271328        0.114888
BFGS:   87 18:26:24        1.270499        0.070961
BFGS:   88 18:26:24        1.269828        0.065647
BFGS:   89 18:26:24        1.269270        0.080931
BFGS:   90 18:26:24        1.268672        0.109109
BFGS:   91 18:26:24        1.267315        0.120936
BFGS:   92 18:26:24        1.265707        0.137069
BFGS:   93 18:26:24        1.263567        0.108892
BFGS:   94 18:26:24        1.261499        0.104280
BFGS:   95 18:26:24        1.259622        0.103135
BFGS:   96 18:26:24        1.258412        0.062305
BFGS:   97 18:26:24        1.257917        0.050882
BFGS:   98 18:26:24        1.257663        0.034571
BFGS:   99 18:26:24        1.257508        0.036563
BFGS:  100 18:26:24        1.257303        0.034384
BFGS:  101 18:26:24        1.257048        0.036583
BFGS:  102 18:26:24        1.256338        0.043939
BFGS:  103 18:26:24        1.255202        0.067430
BFGS:  104 18:26:24        1.254397        0.044940
BFGS:  105 18:26:24        1.253937        0.052262
BFGS:  106 18:26:24        1.253655        0.025237
BFGS:  107 18:26:24        1.253598        0.022695
BFGS:  108 18:26:24        1.253554        0.020399
BFGS:  109 18:26:24        1.253521        0.019055
BFGS:  110 18:26:24        1.253478        0.018564
BFGS:  111 18:26:24        1.253393        0.023599
BFGS:  112 18:26:24        1.253211        0.029400
BFGS:  113 18:26:24        1.252913        0.033683
BFGS:  114 18:26:24        1.252594        0.026355
BFGS:  115 18:26:24        1.252401        0.018302
BFGS:  116 18:26:24        1.252325        0.012166
BFGS:  117 18:26:24        1.252303        0.012809
BFGS:  118 18:26:24        1.252286        0.014194
BFGS:  119 18:26:24        1.252270        0.013528
BFGS:  120 18:26:24        1.252246        0.013253
BFGS:  121 18:26:24        1.252202        0.018019
BFGS:  122 18:26:24        1.252110        0.027183
BFGS:  123 18:26:24        1.251941        0.037771
BFGS:  124 18:26:24        1.251711        0.040497
BFGS:  125 18:26:24        1.251521        0.029281
BFGS:  126 18:26:24        1.251454        0.010048
BFGS:  127 18:26:24        1.251446        0.005592
error in bondcombo: -8.881784197001252e-16
.Global seed for "test/constraints/test_fixinternals.py:test_combos" was: 10926
.Global seed for "test/constraints/test_fixinternals.py:test_index_shuffle" was: 10925
.Global seed for "test/constraints/test_fixinternals.py:test_combo_index_shuffle" was: 9164
.Global seed for "test/constraints/test_fixinternals.py:test_zero_distance_error" was: 10275
.Global seed for "test/constraints/test_fixinternals.py:test_planar_angle_error" was: 6778
.Global seed for "test/constraints/test_fixinternals.py:test_undefined_dihedral_error" was: 6062

constraints/test_fixscaled.py .Global seed for "test/constraints/test_fixscaled.py:test_fixscaled" was: 2949
.Global seed for "test/constraints/test_fixscaled.py:test_fixscaled_misc" was: 1566

constraints/test_fixsubsetcom.py       Step     Time          Energy          fmax
BFGS:    0 18:26:24        5.239623        7.738365
BFGS:    1 18:26:24        3.822604        1.345448
BFGS:    2 18:26:24        3.765332        0.451245
BFGS:    3 18:26:24        3.758183        0.034576
.Global seed for "test/constraints/test_fixsubsetcom.py:test_center_of_mass_position" was: 11804
.Global seed for "test/constraints/test_fixsubsetcom.py:test_center_of_mass_velocity" was: 11732
.Global seed for "test/constraints/test_fixsubsetcom.py:test_center_of_mass_force" was: 3216

constraints/test_getindices.py .Global seed for "test/constraints/test_getindices.py:test_getindices" was: 369

constraints/test_hookean.py .Global seed for "test/constraints/test_hookean.py:test_hookean" was: 7475

constraints/test_hookean_pbc.py .Global seed for "test/constraints/test_hookean_pbc.py:test_hookean_pbc" was: 5873

constraints/test_mirror.py       Step     Time          Energy          fmax
FIRE:    0 18:26:24        3.609397        3.327687
FIRE:    1 18:26:24        2.898938        2.662377
FIRE:    2 18:26:24        2.293080        1.535955
FIRE:    3 18:26:24        2.228981        1.504946
FIRE:    4 18:26:24        2.205735        1.458692
FIRE:    5 18:26:24        2.162441        1.365014
FIRE:    6 18:26:24        2.105136        1.222158
FIRE:    7 18:26:24        2.041912        1.029068
FIRE:    8 18:26:24        1.981574        0.787758
FIRE:    9 18:26:24        1.931705        0.533011
FIRE:   10 18:26:24        1.896316        0.623005
FIRE:   11 18:26:24        1.872996        0.630389
FIRE:   12 18:26:24        1.861853        0.485601
FIRE:   13 18:26:24        1.860616        0.468684
FIRE:   14 18:26:24        1.858319        0.435334
FIRE:   15 18:26:24        1.855288        0.386515
FIRE:   16 18:26:24        1.851956        0.323663
FIRE:   17 18:26:24        1.848799        0.248680
FIRE:   18 18:26:24        1.846267        0.163914
FIRE:   19 18:26:24        1.844723        0.072124
FIRE:   20 18:26:24        1.844416        0.052365
FIRE:   21 18:26:24        1.844413        0.051868
FIRE:   22 18:26:24        1.844409        0.050881
FIRE:   23 18:26:24        1.844402        0.283566
FIRE:   24 18:26:24        1.844441        0.284336
FIRE:   25 18:26:24        1.844525        0.285551
FIRE:   26 18:26:24        1.844655        0.287231
FIRE:   27 18:26:24        1.844832        0.289401
FIRE:   28 18:26:24        1.845087        0.292407
FIRE:   29 18:26:24        1.845442        0.296497
FIRE:   30 18:26:24        1.845929        0.301961
FIRE:   31 18:26:24        1.846587        0.309111
FIRE:   32 18:26:24        1.847465        0.318222
FIRE:   33 18:26:24        1.848621        0.057313
FIRE:   34 18:26:24        1.849747        0.068329
FIRE:   35 18:26:24        1.850813        0.070985
FIRE:   36 18:26:24        1.851811        0.064246
FIRE:   37 18:26:24        1.852762        0.317684
FIRE:   38 18:26:24        1.854299        0.308075
FIRE:   39 18:26:24        1.856530        0.302721
FIRE:   40 18:26:24        1.859588        0.302581
FIRE:   41 18:26:24        1.863661        0.050193
FIRE:   42 18:26:24        1.867596        0.296870
FIRE:   43 18:26:24        1.872885        0.292310
FIRE:   44 18:26:24        1.879745        0.057914
FIRE:   45 18:26:24        1.886240        0.265795
FIRE:   46 18:26:24        1.894627        0.249097
FIRE:   47 18:26:24        1.904885        0.246080
FIRE:   48 18:26:24        1.916966        0.082353
FIRE:   49 18:26:24        1.927503        0.176325
FIRE:   50 18:26:24        1.939186        0.052750
FIRE:   51 18:26:24        1.939111        0.150887
FIRE:   52 18:26:24        1.939278        0.157892
FIRE:   53 18:26:24        1.939780        0.172204
FIRE:   54 18:26:24        1.940656        0.070938
FIRE:   55 18:26:24        1.941356        0.077702
FIRE:   56 18:26:24        1.941849        0.059979
FIRE:   57 18:26:24        1.942250        0.154058
FIRE:   58 18:26:24        1.943109        0.138442
FIRE:   59 18:26:24        1.944378        0.131865
FIRE:   60 18:26:24        1.946034        0.132263
FIRE:   61 18:26:24        1.948241        0.145954
FIRE:   62 18:26:24        1.951085        0.074158
FIRE:   63 18:26:24        1.953338        0.124520
FIRE:   64 18:26:24        1.956272        0.101958
FIRE:   65 18:26:24        1.959289        0.107339
FIRE:   66 18:26:24        1.962399        0.075492
FIRE:   67 18:26:24        1.963927        0.050106
FIRE:   68 18:26:24        1.964258        0.033250
      Step     Time          Energy          fmax
FIRE:    0 18:26:24        3.238905        4.784022
FIRE:    1 18:26:24        2.319618        3.398031
FIRE:    2 18:26:24        1.710166        1.498437
FIRE:    3 18:26:24        1.898112        1.991605
FIRE:    4 18:26:24        1.848627        1.784579
FIRE:    5 18:26:24        1.762156        1.411697
FIRE:    6 18:26:24        1.660598        1.212226
FIRE:    7 18:26:24        1.569882        0.929669
FIRE:    8 18:26:24        1.512973        0.557192
FIRE:    9 18:26:24        1.499941        0.968053
FIRE:   10 18:26:24        1.498588        0.948831
FIRE:   11 18:26:24        1.495978        0.910649
FIRE:   12 18:26:24        1.492299        0.854053
FIRE:   13 18:26:24        1.487814        0.779913
FIRE:   14 18:26:24        1.482844        0.689480
FIRE:   15 18:26:24        1.477742        0.584489
FIRE:   16 18:26:24        1.472862        0.467360
FIRE:   17 18:26:24        1.468112        0.328069
FIRE:   18 18:26:24        1.464038        0.189862
FIRE:   19 18:26:24        1.461207        0.203349
FIRE:   20 18:26:24        1.459880        0.224470
FIRE:   21 18:26:24        1.459702        0.346522
FIRE:   22 18:26:24        1.459547        0.339776
FIRE:   23 18:26:24        1.459246        0.326420
FIRE:   24 18:26:24        1.458818        0.306734
FIRE:   25 18:26:24        1.458290        0.281137
FIRE:   26 18:26:24        1.457694        0.250199
FIRE:   27 18:26:24        1.457065        0.214654
FIRE:   28 18:26:24        1.456439        0.175455
FIRE:   29 18:26:24        1.455791        0.129470
FIRE:   30 18:26:24        1.455172        0.103061
FIRE:   31 18:26:24        1.454642        0.091944
FIRE:   32 18:26:24        1.454246        0.098128
FIRE:   33 18:26:24        1.453973        0.128123
FIRE:   34 18:26:24        1.453732        0.174279
FIRE:   35 18:26:24        1.453373        0.203894
FIRE:   36 18:26:24        1.452737        0.210805
FIRE:   37 18:26:24        1.451722        0.190472
FIRE:   38 18:26:24        1.450362        0.142103
FIRE:   39 18:26:24        1.448861        0.113711
FIRE:   40 18:26:24        1.447466        0.116765
FIRE:   41 18:26:24        1.446108        0.134753
FIRE:   42 18:26:24        1.444325        0.147614
FIRE:   43 18:26:24        1.441871        0.094702
FIRE:   44 18:26:24        1.439240        0.066176
FIRE:   45 18:26:24        1.436841        0.121137
FIRE:   46 18:26:24        1.433927        0.122916
FIRE:   47 18:26:24        1.430381        0.090869
FIRE:   48 18:26:24        1.426740        0.146945
FIRE:   49 18:26:24        1.421892        0.089611
FIRE:   50 18:26:24        1.415974        0.152022
FIRE:   51 18:26:24        1.407189        0.108290
FIRE:   52 18:26:24        1.395217        0.171716
FIRE:   53 18:26:24        1.378742        0.148309
FIRE:   54 18:26:24        1.357484        0.164357
FIRE:   55 18:26:24        1.333082        0.191736
FIRE:   56 18:26:24        1.311955        0.291867
FIRE:   57 18:26:24        1.328296        1.415064
FIRE:   58 18:26:24        1.299347        0.352690
FIRE:   59 18:26:24        1.297504        0.263261
FIRE:   60 18:26:24        1.295607        0.135058
FIRE:   61 18:26:24        1.295098        0.222811
FIRE:   62 18:26:24        1.294982        0.208246
FIRE:   63 18:26:24        1.294777        0.180408
FIRE:   64 18:26:24        1.294526        0.141957
FIRE:   65 18:26:24        1.294276        0.097252
FIRE:   66 18:26:24        1.294060        0.064530
FIRE:   67 18:26:24        1.293883        0.079202
FIRE:   68 18:26:24        1.293719        0.088611
FIRE:   69 18:26:24        1.293512        0.091186
FIRE:   70 18:26:24        1.293223        0.092847
FIRE:   71 18:26:24        1.292838        0.088774
FIRE:   72 18:26:24        1.292385        0.073011
FIRE:   73 18:26:24        1.291906        0.069237
FIRE:   74 18:26:24        1.291362        0.102887
FIRE:   75 18:26:24        1.290626        0.109369
FIRE:   76 18:26:24        1.289649        0.071806
FIRE:   77 18:26:24        1.288553        0.058812
FIRE:   78 18:26:24        1.287329        0.079917
FIRE:   79 18:26:24        1.285811        0.065960
FIRE:   80 18:26:25        1.284113        0.087997
FIRE:   81 18:26:25        1.282069        0.079326
FIRE:   82 18:26:25        1.279761        0.057355
FIRE:   83 18:26:25        1.277175        0.043616
.Global seed for "test/constraints/test_mirror.py:test_mirror" was: 10786

constraints/test_negativeindex.py .Global seed for "test/constraints/test_negativeindex.py:test_negativeindex" was: 3450

constraints/test_parameteric_constr.py .Global seed for "test/constraints/test_parameteric_constr.py:test_parameteric_constr" was: 1336

constraints/test_repeat_FixAtoms.py .Global seed for "test/constraints/test_repeat_FixAtoms.py:test_repeat_FixAtoms" was: 8442

constraints/test_setpos.py .Global seed for "test/constraints/test_setpos.py:test_setpos" was: 6135

db/test_cli.py .Global seed for "test/db/test_cli.py:test_insert_into" was: 5149
carrots: 2
oranges: 1

.Global seed for "test/db/test_cli.py:test_analyse" was: 1627
oranges: [42..42]
carrots: [3..4]

.Global seed for "test/db/test_cli.py:test_show_values" was: 1080
id|age|user     |formula|natoms|pbc|volume|charge|  mass
 1| 1s|mockbuild|       |     0|FFF|      | 0.000| 0.000
 2| 1s|mockbuild|H2O    |     3|FFF|      | 0.000|18.015
 3| 1s|mockbuild|Ti2    |     2|TTT|35.306| 0.000|95.734
Rows: 3
Keys: carrots, oranges

.Global seed for "test/db/test_cli.py:test_table" was: 1885
id, age, user, formula, natoms, pbc, volume, charge, mass
1, 1s, mockbuild, , 0, FFF, None, 0.0, 0.0
2, 1s, mockbuild, H2O, 3, FFF, None, 0.0, 18.015
3, 1s, mockbuild, Ti2, 2, TTT, 35.30589113366309, 0.0, 95.734

.Global seed for "test/db/test_cli.py:test_table_csv" was: 2091
Ti2:
Unit cell in Ang:
axis|periodic|          x|          y|          z|    length|     angle
   1|     yes|      2.950|      0.000|      0.000|     2.950|    90.000
   2|     yes|     -1.475|      2.555|      0.000|     2.950|    90.000
   3|     yes|      0.000|      0.000|      4.685|     4.685|   120.000

Key     | Description | Value
ctime   | Age         | 1.240 seconds
id      |             | 3
mass    |             | 95.734
oranges |             | 42
carrots |             | 4

.Global seed for "test/db/test_cli.py:test_long" was: 2580

db/test_db.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_json_0
.Global seed for "test/db/test_db.py:test_db" was: 3607
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_db_0
.Global seed for "test/db/test_db.py:test_db" was: 3607
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_postgresql_0
sGlobal seed for "test/db/test_db.py:test_db" was: 3607
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_mysql_0
sGlobal seed for "test/db/test_db.py:test_db" was: 3607
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_mariadb_0
sGlobal seed for "test/db/test_db.py:test_db" was: 3607

db/test_db2.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db2_json_0
testase.json <ase.db.jsondb.JSONDatabase object at 0x7fb7f30535c0>
[[-1.02091976 -1.02091976  1.02091976]
 [ 0.          0.          0.        ]
 [-0.08567872 -0.08567872  0.08567872]
 [ 1.10659849 -1.10659849 -1.10659849]
 [-1.10659849  1.10659849 -1.10659849]]
bla-bla [1. +0.5j 0.5+0.j ]
<AtomsRow: formula=CH4, keys=a>
.Global seed for "test/db/test_db2.py:test_db2" was: 2389
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db2_db_0
testase.db <ase.db.sqlite.SQLite3Database object at 0x7fb7f9be7250>
[[-1.02091976 -1.02091976  1.02091976]
 [ 0.          0.          0.        ]
 [-0.08567872 -0.08567872  0.08567872]
 [ 1.10659849 -1.10659849 -1.10659849]
 [-1.10659849  1.10659849 -1.10659849]]
bla-bla [1. +0.5j 0.5+0.j ]
<AtomsRow: formula=CH4, keys=>
.Global seed for "test/db/test_db2.py:test_db2" was: 2389
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db2_postgresql_0
sGlobal seed for "test/db/test_db2.py:test_db2" was: 2389
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db2_mysql_0
sGlobal seed for "test/db/test_db2.py:test_db2" was: 2389
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db2_mariadb_0
sGlobal seed for "test/db/test_db2.py:test_db2" was: 2389
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_sqlite_user0
.Global seed for "test/db/test_db2.py:test_sqlite_user" was: 2410

db/test_db_web.py sGlobal seed for "test/db/test_db_web.py:test_add_columns" was: 9598
sssGlobal seed for "test/db/test_db_web.py:test_paging" was: 11779

    WARNING:
        You don't have jsmol on your system.

        Download Jmol-*-binary.tar.gz from
        https://sourceforge.net/projects/jmol/files/Jmol/,
        extract jsmol.zip, unzip it and create a soft-link:

            $ tar -xf Jmol-*-binary.tar.gz
            $ unzip jmol-*/jsmol.zip
            $ ln -s $PWD/jsmol /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/db/static/jsmol
    
.Global seed for "test/db/test_db_web.py:test_check_jsmol" was: 1546

db/test_jsondb.py .Global seed for "test/db/test_jsondb.py:test_jsondb" was: 10685

db/test_metadata.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_metadata_md_json_0
md.json
.Global seed for "test/db/test_metadata.py:test_metadata" was: 2226
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_metadata_md_db_0
md.db
.Global seed for "test/db/test_metadata.py:test_metadata" was: 2226

db/test_mysql.py ssssss
db/test_o2b2o.py 1.0
b'\x08\x00\x00\x00\x00\x00\x00\x001.0'

{'a': array([[0., 0.],
       [0., 0.]], dtype=float32), 'b': array([], shape=(0, 2), dtype=int64)}
b'\x18\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00{"a":{"__ndarray__":[[2,2],"float32",8]},"b":{"__ndarray__":[[0,2],"int64",24]}}'

['a', 42, True, None, nan, inf, 1j]
b'\x08\x00\x00\x00\x00\x00\x00\x00["a",42,true,null,NaN,Infinity,{"__complex__":[0.0,1.0]}]'

Cell([1.0, 1.0, 1.0])
b'P\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?{"array":{"__ndarray__":[[3,3],"float64",8]},"__ase_objtype__":"cell"}'

{'a': {'b': {'c': array([1., 1., 1.])}}}
b' \x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\xf0?{"a":{"b":{"c":{"__ndarray__":[[3],"float64",8]}}}}'

.Global seed for "test/db/test_o2b2o.py:test_o2b2o" was: 4871

db/test_row.py .Global seed for "test/db/test_row.py:test_row" was: 5267

db/test_sql_db_ext_tables.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_create_and_delete_ext_tab0
.Global seed for "test/db/test_sql_db_ext_tables.py:test_create_and_delete_ext_tab" was: 7058
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_create_and_delete_ext_tab1
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_create_and_delete_ext_tab" was: 7058
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_create_and_delete_ext_tab2
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_create_and_delete_ext_tab" was: 7058
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_create_and_delete_ext_tab3
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_create_and_delete_ext_tab" was: 7058
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_insert_in_external_tables0
.Global seed for "test/db/test_sql_db_ext_tables.py:test_insert_in_external_tables" was: 7861
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_insert_in_external_tables1
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_insert_in_external_tables" was: 7861
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_insert_in_external_tables2
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_insert_in_external_tables" was: 7861
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_insert_in_external_tables3
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_insert_in_external_tables" was: 7861
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_extract_from_table_db_0
.Global seed for "test/db/test_sql_db_ext_tables.py:test_extract_from_table" was: 3489
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_extract_from_table_postgr0
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_extract_from_table" was: 3489
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_extract_from_table_mysql_0
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_extract_from_table" was: 3489
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_extract_from_table_mariad0
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_extract_from_table" was: 3489
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_atoms_row_db_0
.Global seed for "test/db/test_sql_db_ext_tables.py:test_write_atoms_row" was: 6619
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_atoms_row_postgresq0
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_write_atoms_row" was: 6619
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_atoms_row_mysql_0
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_write_atoms_row" was: 6619
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_atoms_row_mariadb_0
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_write_atoms_row" was: 6619
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_external_table_upon_updat0
.Global seed for "test/db/test_sql_db_ext_tables.py:test_external_table_upon_update" was: 5101
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_external_table_upon_updat1
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_external_table_upon_update" was: 5101
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_external_table_upon_updat2
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_external_table_upon_update" was: 5101
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_external_table_upon_updat3
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_external_table_upon_update" was: 5101
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_external_table_upon_updat4
.Global seed for "test/db/test_sql_db_ext_tables.py:test_external_table_upon_update_with_float" was: 6464
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_external_table_upon_updat5
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_external_table_upon_update_with_float" was: 6464
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_external_table_upon_updat6
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_external_table_upon_update_with_float" was: 6464
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_external_table_upon_updat7
sGlobal seed for "test/db/test_sql_db_ext_tables.py:test_external_table_upon_update_with_float" was: 6464

db/test_sqlite.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_delete_vacuum0
.Global seed for "test/db/test_sqlite.py:test_delete_vacuum" was: 8954
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_delete_vacuum_context0
.Global seed for "test/db/test_sqlite.py:test_delete_vacuum_context" was: 5852
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_update_vacuum0
.Global seed for "test/db/test_sqlite.py:test_update_vacuum" was: 2295
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_update_vacuum_context0
.Global seed for "test/db/test_sqlite.py:test_update_vacuum_context" was: 5546

db/test_table.py .Global seed for "test/db/test_table.py:test_hide_empty_columns" was: 4787

db/test_update.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_x_json_0
x.json
2 {'a': 1, 'b': 2}
2 {'a': 1, 'b': 2} [1]
0.0027289390563964844
0.0027627944946289062
.Global seed for "test/db/test_update.py:test_db" was: 8511
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_x_db_0
x.db
2 {'a': 1, 'b': 2}
2 {'a': 1, 'b': 2} [1]
0.0025272369384765625
0.0008552074432373047
.Global seed for "test/db/test_update.py:test_db" was: 8511

dft/test_bandgap.py .Global seed for "test/dft/test_bandgap.py:test_bandgap" was: 9436

dft/test_bee.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bee_mBEEF_0
mbeef ensemble started
mbeef ensemble finished
.Global seed for "test/dft/test_bee.py:test_bee" was: 9887
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bee_BEEF_vdW_0
beefvdw ensemble started
beefvdw ensemble finished
.Global seed for "test/dft/test_bee.py:test_bee" was: 9887
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bee_mBEEF_vdW_0
mbeefvdw ensemble started
mbeefvdw ensemble finished
.Global seed for "test/dft/test_bee.py:test_bee" was: 9887

dft/test_bz.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_repeat_transpose_bz0
.Global seed for "test/dft/test_bz.py:test_repeat_transpose_bz" was: 2178

dft/test_dos.py .Global seed for "test/dft/test_dos.py:test_dos" was: 10106

dft/test_hex.py HEX(a=3, c=3)
[ 0.11111111 -0.19245009  0.        ]
HEX(a=3, c=3)
[0.11111111 0.19245009 0.        ]
HEX(a=3, c=3)
[2.22222222e-01 3.56104201e-18 0.00000000e+00]
.Global seed for "test/dft/test_hex.py:test_hex" was: 3231

dft/test_interpolate.py [0.  0.5]
.Global seed for "test/dft/test_interpolate.py:test_interpolate" was: 8319

dft/test_kpt_density_monkhorst_pack.py .Global seed for "test/dft/test_kpt_density_monkhorst_pack.py:test_mp" was: 5047

dft/test_kpts_size_offsets.py .Global seed for "test/dft/test_kpts_size_offsets.py:test_gamma_pt" was: 6890
.Global seed for "test/dft/test_kpts_size_offsets.py:test_222" was: 12202
.Global seed for "test/dft/test_kpts_size_offsets.py:test_shape_from_density" was: 1421
.Global seed for "test/dft/test_kpts_size_offsets.py:test_shape_from_size" was: 225
.Global seed for "test/dft/test_kpts_size_offsets.py:test_gamma_centering_from_density" was: 3602
.Global seed for "test/dft/test_kpts_size_offsets.py:test_gamma_centering_from_size" was: 321
.Global seed for "test/dft/test_kpts_size_offsets.py:test_antigamma_centering_from_default_111" was: 898
.Global seed for "test/dft/test_kpts_size_offsets.py:test_density_with_irregular_shape" was: 11633

dft/test_min_distance_monkhorst_pack.py .Global seed for "test/dft/test_min_distance_monkhorst_pack.py:test_non_periodic" was: 10346
.Global seed for "test/dft/test_min_distance_monkhorst_pack.py:test_orthogonal" was: 6026
.Global seed for "test/dft/test_min_distance_monkhorst_pack.py:test_tricky" was: 9255

dft/test_monoclinic.py 8.881784197001252e-16
8.881784197001252e-16
6.394884621840902e-14
0.0
0.0
0.0
8.881784197001252e-16
8.881784197001252e-16
7.105427357601002e-15
.Global seed for "test/dft/test_monoclinic.py:test_monoclinic" was: 12333

emt/test_emt.py -0.006688768685791047
877.6476770108612
0 0.0
1 7.973137829964116e-07 0.7973137829964116
2 3.1892490248708327e-06 0.7973122562177082
3 7.175787413160606e-06 0.7973097125734007
0.36458973728024624
0.3644886123014963
0.3644886123014963
.Global seed for "test/emt/test_emt.py:test_emt" was: 11484

emt/test_emt1.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_emt10
5.79749655094697
      Step     Time          Energy          fmax
BFGS:    0 18:26:32        5.797497        1.545781
2.545584412271571
BFGS:    1 18:26:32        5.739475        1.612156
2.545584412271571
BFGS:    2 18:26:32        5.123872        2.023804
2.545584412271774
BFGS:    3 18:26:32        4.557873        0.985708
2.545584412271571
BFGS:    4 18:26:32        4.903411        4.414672
2.545584412271571
BFGS:    5 18:26:32        4.517189        0.451872
2.545584412271571
BFGS:    6 18:26:32        4.509839        0.183805
2.545584412271571
BFGS:    7 18:26:32        4.508525        0.016106
2.545584412271571
BFGS:    8 18:26:32        4.508513        0.003816
2.5455844122715914
BFGS:    9 18:26:32        4.508513        0.003887
2.5455844122715727
BFGS:   10 18:26:32        4.508454        0.020486
2.545584412271571
BFGS:   11 18:26:32        4.508280        0.044660
2.5455844122715714
BFGS:   12 18:26:32        4.507686        0.146835
2.5455844122715714
BFGS:   13 18:26:32        4.507631        0.010662
2.5455844122715763
BFGS:   14 18:26:32        4.507159        0.040398
2.545584412271572
BFGS:   15 18:26:32        4.517127        0.572164
2.5455844122715705
BFGS:   16 18:26:32        4.506935        0.040631
2.545584412271634
BFGS:   17 18:26:32        4.506726        0.043301
2.545584412271601
BFGS:   18 18:26:32        4.509542        0.437990
2.545584412271571
BFGS:   19 18:26:32        4.505999        0.021628
2.545584412271571
BFGS:   20 18:26:32        4.505364        0.037710
2.545584412271571
BFGS:   21 18:26:32        4.507901        0.486949
2.545584412271571
BFGS:   22 18:26:32        4.504093        0.030069
2.545584412271571
BFGS:   23 18:26:32        4.502908        0.065462
2.5455844122715705
BFGS:   24 18:26:32        4.491136        0.195068
2.5455844122715714
BFGS:   25 18:26:32        4.457112        0.123486
2.545584412271571
BFGS:   26 18:26:32        4.393235        0.929060
2.5455844122715705
BFGS:   27 18:26:32        4.326097        1.961592
2.5455844122715714
BFGS:   28 18:26:32        4.111876        2.193643
2.5455844122715714
BFGS:   29 18:26:32        4.051998        1.556294
2.5455844122716176
BFGS:   30 18:26:32        3.972470        1.641935
2.545584412271572
BFGS:   31 18:26:32        3.833385        0.852339
2.545584412271571
BFGS:   32 18:26:32        3.785993        0.872324
2.545584412271571
BFGS:   33 18:26:32        3.759071        0.559941
2.545584412271571
BFGS:   34 18:26:32        3.732302        0.242362
2.5455844122715803
BFGS:   35 18:26:32        3.729961        0.041476
2.5455844122715714
BFGS:   36 18:26:32        3.729851        0.002191
2.5455844122716833
BFGS:   37 18:26:32        3.729851        0.000116
2.545584412271571
.Global seed for "test/emt/test_emt1.py:test_emt1" was: 2584

emt/test_emt2.py 3.8 4.235977507055521 8.03597750705552 -8.881784197001252e-16
.Global seed for "test/emt/test_emt2.py:test_emt2" was: 10371

emt/test_emt_h3o2m.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_emt_h3o2m0
0.977 5.063635050609903
0.977 5.063635050609903
0.977 5.063635050609903
0.977 5.063635050609903
1.7630000000000003 5.063635050609907
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:26:32        5.063635       7.1072
BFGSLineSearch:    1[  1] 18:26:32        4.102653       1.6026
BFGSLineSearch:    2[  2] 18:26:32        4.041267       0.8961
BFGSLineSearch:    3[  4] 18:26:32        4.027944       0.1866
BFGSLineSearch:    4[  5] 18:26:32        4.024631       0.1183
BFGSLineSearch:    5[  7] 18:26:32        4.023530       0.0460
BFGSLineSearch:    6[  8] 18:26:32        4.023484       0.0079
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:26:32        5.063635       7.1072
BFGSLineSearch:    1[  1] 18:26:32        4.102653       1.6026
BFGSLineSearch:    2[  2] 18:26:32        4.041267       0.8961
BFGSLineSearch:    3[  4] 18:26:32        4.027944       0.1866
BFGSLineSearch:    4[  5] 18:26:32        4.024631       0.1183
BFGSLineSearch:    5[  7] 18:26:32        4.023530       0.0460
BFGSLineSearch:    6[  8] 18:26:32        4.023484       0.0079
1.1706168510398167 4.023483500209771
1.2703049395616568 4.0474137398414065
1.37 4.065958951845235
1.4697006135652744 4.0474137398414065
1.56940572192699 4.023483500209773
      Step     Time          Energy          fmax
BFGS:    0 18:26:32        4.065959        0.293650
BFGS:    1 18:26:32        4.064090        0.151254
BFGS:    2 18:26:32        4.063431        0.013871
1.1706168510398167 4.023483500209771
1.2699362177879356 4.0459074034616
1.37 4.063431182978532
1.4700676518635063 4.045907403461603
1.56940572192699 4.023483500209773
.Global seed for "test/emt/test_emt_h3o2m.py:test_emt_h3o2m" was: 5752

emt/test_emt_stress.py Analytical stress:
 [ 0.02317499  0.03522764  0.01948774 -0.01271285  0.05018074 -0.0024057 ]
Numerical stress:
 [ 0.02317499  0.03522764  0.01948774 -0.01271285  0.05018074 -0.0024057 ]
Percent error in stress:
 [-2.70265829e-07 -1.41359347e-07 -3.75305970e-07  3.35923326e-07
  2.59530295e-07  2.06794635e-07]
.Global seed for "test/emt/test_emt_stress.py:test_emt_stress" was: 4756

filter/test_cellfilter.py sssssssssssssssssss
filter/test_filter.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_filter0
.Global seed for "test/filter/test_filter.py:test_filter" was: 11339

filter/test_strain.py ss
filter/test_strain_emt.py        Step     Time          Energy          fmax
MDMin:    0 18:26:32       -0.006689        0.141421
MDMin:    1 18:26:32       -0.006690        0.141219
MDMin:    2 18:26:32       -0.006693        0.140614
.Global seed for "test/filter/test_strain_emt.py:test_strain_emt" was: 4534

fio/aims/test_aims_out.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_socketio0
.Global seed for "test/fio/aims/test_aims_out.py:test_parse_socketio" was: 3406
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_md0
.Global seed for "test/fio/aims/test_aims_out.py:test_parse_md" was: 7068
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_relax0
.Global seed for "test/fio/aims/test_aims_out.py:test_parse_relax" was: 8036
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_singlepoint0
.Global seed for "test/fio/aims/test_aims_out.py:test_parse_singlepoint" was: 5006
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_dfpt_dielectric0
.Global seed for "test/fio/aims/test_aims_out.py:test_parse_dfpt_dielectric" was: 11157
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_polarization0
.Global seed for "test/fio/aims/test_aims_out.py:test_parse_polarization" was: 1301
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_preamble_failed0
.Global seed for "test/fio/aims/test_aims_out.py:test_preamble_failed" was: 405
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_numerical_stress0
.Global seed for "test/fio/aims/test_aims_out.py:test_numerical_stress" was: 7098
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_spin_collinear_w_md_light0
.Global seed for "test/fio/aims/test_aims_out.py:test_spin_collinear_w_md_light" was: 7126

fio/aims/test_aims_out_chunks.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_reverse_search_for0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_reverse_search_for" was: 3179
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_search_for_all0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_search_for_all" was: 5235
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_search_parse_scalar0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_search_parse_scalar" was: 5202
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_missing_parameter_n_atoms0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_missing_parameter" was: 4551
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_missing_parameter_n_bands0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_missing_parameter" was: 4551
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_missing_parameter_n_elect0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_missing_parameter" was: 4551
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_missing_parameter_n_spins0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_missing_parameter" was: 4551
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_missing_parameter_initial0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_missing_parameter" was: 4551
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_header_electronic0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_default_header_electronic_temperature" was: 11201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_header_constraint0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_default_header_constraints" was: 12201
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_header_initial_ce0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_default_header_initial_cell" was: 3594
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_header_is_md0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_default_header_is_md" was: 8966
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_header_is_relaxat0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_default_header_is_relaxation" was: 5177
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_header_n_k_points0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_default_header_n_k_points" was: 2155
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_header_k_points0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_default_header_k_points" was: 4736
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_header_k_point_we0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_default_header_k_point_weights" was: 8544
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_n_atoms0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_n_atoms" was: 4782
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_n_bands0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_n_bands" was: 12147
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_n_electrons0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_n_electrons" was: 2306
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_n_spins0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_n_spins" was: 3619
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_constraints0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_constraints" was: 708
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_initial_atoms0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_initial_atoms" was: 4435
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_initial_cell0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_initial_cell" was: 5244
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_electronic_tempera0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_electronic_temperature" was: 1207
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_is_md0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_is_md" was: 3389
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_is_relaxation0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_is_relaxation" was: 5841
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_n_k_points0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_n_k_points" was: 3993
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_k_point_weights0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_k_point_weights" was: 5452
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_k_points0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_k_points" was: 8546
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_header_summary0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_header_summary" was: 8516
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_transfer_n_atoms0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_transfer_n_atoms" was: 7191
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_transfer_n_bands0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_transfer_n_bands" was: 2211
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_transfer_n_electro0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_transfer_n_electrons" was: 9381
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_transfer_n_spins0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_transfer_n_spins" was: 6028
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_transfer_constrain0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_transfer_constraints" was: 7783
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_transfer_initial_c0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_transfer_initial_cell" was: 5529
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_transfer_initial_a0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_transfer_initial_atoms" was: 1498
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_transfer_electroni0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_transfer_electronic_temperature" was: 2596
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_transfer_n_k_point0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_transfer_n_k_points" was: 3729
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_transfer_k_point_w0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_transfer_k_point_weights" was: 4848
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_transfer_k_points0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_header_transfer_k_points" was: 5949
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_calc_energy_raise0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_default_calc_energy_raises_error" was: 7648
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_force0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_stres0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_stres1
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_free_0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_n_ite0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_magmo0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_E_f_0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_dipol0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_hirsh0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_hirsh1
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_hirsh2
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_hirsh3
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_eigen0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_defaults_none_occup0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_defaults_none" was: 3796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_calc_is_metallic0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_default_calc_is_metallic" was: 581
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_calc_converged0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_default_calc_converged" was: 4113
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_atoms0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_atoms" was: 7088
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_forces0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_forces" was: 986
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_stresses0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_stresses" was: 7286
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_stress0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_stress" was: 4637
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_num_stress0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_num_stress" was: 5801
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_free_energy0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_free_energy" was: 8653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_energy0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_energy" was: 7541
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_magnetic_moment0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_magnetic_moment" was: 6864
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_n_iter0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_n_iter" was: 6457
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_fermi_energy0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_fermi_energy" was: 9385
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_dipole0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_dipole" was: 9352
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_is_metallic0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_is_metallic" was: 3405
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_converged0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_converged" was: 8909
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_hirshfeld_charges0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_hirshfeld_charges" was: 9278
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_hirshfeld_volumes0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_hirshfeld_volumes" was: 239
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_hirshfeld_atomic_dip0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_hirshfeld_atomic_dipoles" was: 252
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_hirshfeld_dipole0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_hirshfeld_dipole" was: 8396
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_eigenvalues0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_eigenvalues" was: 3097
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calc_occupancies0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_calc_occupancies" was: 4324
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_molecular_header_de0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_molecular_header_defaults_none" was: 10844
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_molecular_header_de1
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_molecular_header_defaults_none" was: 10844
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_molecular_header_de2
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_molecular_header_defaults_none" was: 10844
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_molecular_header_de3
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_molecular_header_defaults_none" was: 10844
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_header_constrai0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_header_constraints" was: 953
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_header_n_bands0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_header_n_bands" was: 3911
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_header_initial_0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_header_initial_atoms" was: 2748
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_atoms0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_atoms" was: 2716
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_forces0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_forces" was: 7993
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_molecular_defaults_0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_molecular_defaults_none" was: 9296
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_molecular_defaults_1
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_molecular_defaults_none" was: 9296
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_molecular_defaults_2
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_molecular_defaults_none" was: 9296
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_chunk_molecular_defaults_3
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_chunk_molecular_defaults_none" was: 9296
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_free_energ0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_free_energy" was: 10830
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_energy0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_energy" was: 2203
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_n_iter0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_n_iter" was: 1119
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_dipole0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_dipole" was: 4014
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_is_metalli0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_is_metallic" was: 5582
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_converged0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_converged" was: 673
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_hirshfeld_0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_hirshfeld_charges" was: 5659
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_hirshfeld_1
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_hirshfeld_volumes" was: 8965
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_hirshfeld_2
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_hirshfeld_atomic_dipoles" was: 2216
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_hirshfeld_3
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_hirshfeld_dipole" was: 5743
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_eigenvalue0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_eigenvalues" was: 5274
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecular_calc_occupancie0
.Global seed for "test/fio/aims/test_aims_out_chunks.py:test_molecular_calc_occupancies" was: 6501

fio/aims/test_geometry.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cartesian_Si0
.Global seed for "test/fio/aims/test_geometry.py:test_cartesian_Si" was: 769
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_scaled_Si0
.Global seed for "test/fio/aims/test_geometry.py:test_scaled_Si" was: 1618
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_param_const_Si0
.Global seed for "test/fio/aims/test_geometry.py:test_param_const_Si" was: 1781
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_wrap_Si0
.Global seed for "test/fio/aims/test_geometry.py:test_wrap_Si" was: 4115
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_constraints_Si0
.Global seed for "test/fio/aims/test_geometry.py:test_constraints_Si" was: 3153
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cartesian_H2O0
.Global seed for "test/fio/aims/test_geometry.py:test_cartesian_H2O" was: 8813
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_scaled_H2O0
.Global seed for "test/fio/aims/test_geometry.py:test_scaled_H2O" was: 8323
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_param_const_H2O0
.Global seed for "test/fio/aims/test_geometry.py:test_param_const_H2O" was: 2035
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_velocities_H2O0
.Global seed for "test/fio/aims/test_geometry.py:test_velocities_H2O" was: 786
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_info_str0
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.Global seed for "test/fio/aims/test_geometry.py:test_info_str" was: 10038
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_geometry_lines0
.Global seed for "test/fio/aims/test_geometry.py:test_parse_geometry_lines" was: 9943

fio/aims/test_write_control.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_manipulate_tiers_None_exp0
.Global seed for "test/fio/aims/test_write_control.py:test_manipulate_tiers" was: 1466
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_manipulate_tiers_0_expect0
.Global seed for "test/fio/aims/test_write_control.py:test_manipulate_tiers" was: 1466
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_manipulate_tiers_1_expect0
.Global seed for "test/fio/aims/test_write_control.py:test_manipulate_tiers" was: 1466
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_manipulate_tiers_1_expect1
xGlobal seed for "test/fio/aims/test_write_control.py:test_manipulate_tiers" was: 1466
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_species_path0
.Global seed for "test/fio/aims/test_write_control.py:test_parse_species_path" was: 2725
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_species0
.Global seed for "test/fio/aims/test_write_control.py:test_write_species" was: 3473
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_control_tier_tight_tier0_0
.Global seed for "test/fio/aims/test_write_control.py:test_control_tier" was: 9765
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_control_tier_tight_tier1_0
.Global seed for "test/fio/aims/test_write_control.py:test_control_tier" was: 9765
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_control0
.Global seed for "test/fio/aims/test_write_control.py:test_control" was: 1570
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_control_functional_PBE_xc0
.Global seed for "test/fio/aims/test_write_control.py:test_control_functional" was: 9732
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_control_functional_LDA_xc0
.Global seed for "test/fio/aims/test_write_control.py:test_control_functional" was: 9732
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_control_functional_PBE_060
xGlobal seed for "test/fio/aims/test_write_control.py:test_control_functional" was: 9732

fio/castep/test_castep_reader.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header0
.Global seed for "test/fio/castep/test_castep_reader.py:test_header" was: 10475
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_header_detailed0
.Global seed for "test/fio/castep/test_castep_reader.py:test_header_detailed" was: 8261
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_unit_cell0
.Global seed for "test/fio/castep/test_castep_reader.py:test_unit_cell" was: 4689
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fractional_coordinates0
.Global seed for "test/fio/castep/test_castep_reader.py:test_fractional_coordinates" was: 4177
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_forces1
.Global seed for "test/fio/castep/test_castep_reader.py:test_forces" was: 11804
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_constrainted_forces0
.Global seed for "test/fio/castep/test_castep_reader.py:test_constrainted_forces" was: 11945
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_stress0
.Global seed for "test/fio/castep/test_castep_reader.py:test_stress" was: 3110
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_mulliken_spin_unpolarized0
.Global seed for "test/fio/castep/test_castep_reader.py:test_mulliken_spin_unpolarized" was: 8705
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_mulliken_spin_polarized0
.Global seed for "test/fio/castep/test_castep_reader.py:test_mulliken_spin_polarized" was: 3281
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_hirshfeld_details0
.Global seed for "test/fio/castep/test_castep_reader.py:test_hirshfeld_details" was: 4832
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_hirshfeld_spin_unpolarize0
.Global seed for "test/fio/castep/test_castep_reader.py:test_hirshfeld_spin_unpolarized" was: 6486
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_hirshfeld_spin_polarized0
.Global seed for "test/fio/castep/test_castep_reader.py:test_hirshfeld_spin_polarized" was: 9301
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_energy_and_free_energy_me0
.Global seed for "test/fio/castep/test_castep_reader.py:test_energy_and_free_energy_metallic" was: 1137
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_energy_and_free_energy_no0
.Global seed for "test/fio/castep/test_castep_reader.py:test_energy_and_free_energy_non_metallic" was: 4631

fio/castep/test_read_bands.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_bands0
.Global seed for "test/fio/castep/test_read_bands.py:test_read_bands" was: 4113

fio/exciting/test_exciting.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_input_xml_file0
sGlobal seed for "test/fio/exciting/test_exciting.py:test_write_input_xml_file" was: 7341
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_bs_xml0
sGlobal seed for "test/fio/exciting/test_exciting.py:test_write_bs_xml" was: 6608
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_dos_xml0
sGlobal seed for "test/fio/exciting/test_exciting.py:test_write_dos_xml" was: 4173
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ase_atoms_from_exciting_i0
sGlobal seed for "test/fio/exciting/test_exciting.py:test_ase_atoms_from_exciting_input_xml" was: 685
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_info_out_xml_bad_pa0
sGlobal seed for "test/fio/exciting/test_exciting.py:test_parse_info_out_xml_bad_path" was: 9453
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_info_out_energy0
sGlobal seed for "test/fio/exciting/test_exciting.py:test_parse_info_out_energy" was: 4335

fio/test_abinit.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_abinit_inputfile_roundtri0
.Global seed for "test/fio/test_abinit.py:test_abinit_inputfile_roundtrip" was: 10477
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_abinit_output0
.Global seed for "test/fio/test_abinit.py:test_read_abinit_output" was: 11601
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_eig_with_fermiheade0
.Global seed for "test/fio/test_abinit.py:test_parse_eig_with_fermiheader" was: 9913
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_eig_without_fermihe0
.Global seed for "test/fio/test_abinit.py:test_parse_eig_without_fermiheader" was: 2369
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_match_kpt_header0
.Global seed for "test/fio/test_abinit.py:test_match_kpt_header" was: 6426

fio/test_ace.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_acemolecule_output0
.Global seed for "test/fio/test_ace.py:test_acemolecule_output" was: 1810
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_acemolecule_input0
.Global seed for "test/fio/test_ace.py:test_acemolecule_input" was: 2219

fio/test_animate.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_animate0
.Global seed for "test/fio/test_animate.py:test_animate" was: 259

fio/test_atoms_bytes.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_format0
.Global seed for "test/fio/test_atoms_bytes.py:test_format" was: 1323

fio/test_castep.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_custom_mass_write_CH4_cus0
.Global seed for "test/fio/test_castep.py:test_custom_mass_write" was: 4363
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_custom_mass_write_CH4_cus1
.Global seed for "test/fio/test_castep.py:test_custom_mass_write" was: 4363
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_custom_mass_write_C2H5_cu0
.Global seed for "test/fio/test_castep.py:test_custom_mass_write" was: 4363
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_custom_mass_write_C2H5_cu1
.Global seed for "test/fio/test_castep.py:test_custom_mass_write" was: 4363
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_custom_mass_overwrite0
.Global seed for "test/fio/test_castep.py:test_custom_mass_overwrite" was: 11209
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fix_atoms0
[FixAtoms(indices=[1, 2])] [FixAtoms(indices=[1, 2])]
.Global seed for "test/fio/test_castep.py:test_fix_atoms" was: 4774
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fix_cartesian_line0
[FixCartesian(indices=[0], [True, True, False])] [FixedLine(indices=[0], [0.0, 0.0, 1.0])]
.Global seed for "test/fio/test_castep.py:test_fix_cartesian_line" was: 286
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fix_cartesian_plane0
[FixCartesian(indices=[1, 2], [True, False, False])] [FixedPlane(indices=[1], [1.0, 0.0, 0.0]), FixedPlane(indices=[2], [1.0, 0.0, 0.0])]
.Global seed for "test/fio/test_castep.py:test_fix_cartesian_plane" was: 3341
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fix_cartesian_multiple0
[FixCartesian(indices=[1], [True, True, True]), FixCartesian(indices=[2], [True, True, True])] [FixAtoms(indices=[1, 2])]
.Global seed for "test/fio/test_castep.py:test_fix_cartesian_multiple" was: 11761
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fixed_line0
[FixedLine(indices=[0], [0.0, 0.0, 1.0])] [FixedLine(indices=[0], [0.0, 0.0, 1.0])]
.Global seed for "test/fio/test_castep.py:test_fixed_line" was: 3622
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fixed_plane0
[FixedPlane(indices=[1 2], [1.0, 0.0, 0.0])] [FixedPlane(indices=[1], [1.0, 0.0, 0.0]), FixedPlane(indices=[2], [1.0, 0.0, 0.0])]
.Global seed for "test/fio/test_castep.py:test_fixed_plane" was: 9339

fio/test_cfg.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cfg0
.Global seed for "test/fio/test_cfg.py:test_cfg" was: 1264

fio/test_cif.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif0
.Global seed for "test/fio/test_cif.py:test_cif" was: 7392
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_icsd0
.Global seed for "test/fio/test_cif.py:test_cif_icsd" was: 7228
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_loop_keys0
.Global seed for "test/fio/test_cif.py:test_cif_loop_keys" was: 3844
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_writer_label_numbers0
.Global seed for "test/fio/test_cif.py:test_cif_writer_label_numbers" was: 3349
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_labels0
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.Global seed for "test/fio/test_cif.py:test_cif_labels" was: 8904
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cifloop0
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.Global seed for "test/fio/test_cif.py:test_cifloop" was: 12072
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_empty_or_atomless__0
.Global seed for "test/fio/test_cif.py:test_empty_or_atomless" was: 10290
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_empty_or_atomless_data_du0
.Global seed for "test/fio/test_cif.py:test_empty_or_atomless" was: 10290
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_empty_or_atomless_cifbloc0
.Global seed for "test/fio/test_cif.py:test_empty_or_atomless_cifblock" was: 9461
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_symbols_questionmark0
.Global seed for "test/fio/test_cif.py:test_symbols_questionmark" was: 6580
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bad_occupancies0
.Global seed for "test/fio/test_cif.py:test_bad_occupancies" was: 1951
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_spacegroup_named_setting_0
.Global seed for "test/fio/test_cif.py:test_spacegroup_named_setting" was: 3208
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_spacegroup_named_setting_1
.Global seed for "test/fio/test_cif.py:test_spacegroup_named_setting" was: 3208
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_spacegroup_named_setting_2
.Global seed for "test/fio/test_cif.py:test_spacegroup_named_setting" was: 3208
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_roundtrip_periodic0
.Global seed for "test/fio/test_cif.py:test_cif_roundtrip_periodic" was: 2368
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_roundtrip_nonperiodic0
.Global seed for "test/fio/test_cif.py:test_cif_roundtrip_nonperiodic" was: 4973
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_missingvector0
.Global seed for "test/fio/test_cif.py:test_cif_missingvector" was: 5962
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_roundtrip_mixed0
.Global seed for "test/fio/test_cif.py:test_cif_roundtrip_mixed" was: 763
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_loop_with_space0
.Global seed for "test/fio/test_cif.py:test_loop_with_space" was: 6401
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_with_empty_symmetries0
.Global seed for "test/fio/test_cif.py:test_cif_with_empty_symmetries_loop" was: 6679
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_with_strings_for_inte0
.Global seed for "test/fio/test_cif.py:test_cif_with_strings_for_integers" was: 10126

fio/test_cifblock.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_cifloop_simple0
.Global seed for "test/fio/test_cifblock.py:test_parse_cifloop_simple" was: 95
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_cifloop_warn_duplic0
.Global seed for "test/fio/test_cifblock.py:test_parse_cifloop_warn_duplicate_header" was: 8268
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_cifloop_incomplete0
.Global seed for "test/fio/test_cifblock.py:test_parse_cifloop_incomplete" was: 3159
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cifloop_roundtrip0
hmm loop_
  _potatoes
  _eggs
   2.50000   1
   3.00000   2
  -1.00000   3


''
'  -1.00000   3'
'   3.00000   2'
'   2.50000   1'
'  _eggs'
'  _potatoes'
.Global seed for "test/fio/test_cifblock.py:test_cifloop_roundtrip" was: 862
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_repr0
.Global seed for "test/fio/test_cifblock.py:test_repr" was: 9857
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_mapping0
.Global seed for "test/fio/test_cifblock.py:test_mapping" was: 8451
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_various0
.Global seed for "test/fio/test_cifblock.py:test_various" was: 1999
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_deuterium0
.Global seed for "test/fio/test_cifblock.py:test_deuterium" was: 1700

fio/test_cjson.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ethane0
.Global seed for "test/fio/test_cjson.py:test_ethane" was: 6465
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rutile0
.Global seed for "test/fio/test_cjson.py:test_rutile" was: 1743

fio/test_compression.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_get_compression0
.Global seed for "test/fio/test_compression.py:test_get_compression" was: 3492
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_write_single_0
.Global seed for "test/fio/test_compression.py:test_compression_write_single" was: 4801
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_write_single_1
.Global seed for "test/fio/test_compression.py:test_compression_write_single" was: 4801
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_write_single_2
.Global seed for "test/fio/test_compression.py:test_compression_write_single" was: 4801
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_si0
.Global seed for "test/fio/test_compression.py:test_compression_read_write_single" was: 1106
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_si1
.Global seed for "test/fio/test_compression.py:test_compression_read_write_single" was: 1106
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_si2
.Global seed for "test/fio/test_compression.py:test_compression_read_write_single" was: 1106
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_si3
.Global seed for "test/fio/test_compression.py:test_compression_read_write_single" was: 1106
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_si4
.Global seed for "test/fio/test_compression.py:test_compression_read_write_single" was: 1106
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_si5
.Global seed for "test/fio/test_compression.py:test_compression_read_write_single" was: 1106
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_write_multipl0
.Global seed for "test/fio/test_compression.py:test_compression_write_multiple" was: 347
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_write_multipl1
.Global seed for "test/fio/test_compression.py:test_compression_write_multiple" was: 347
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_write_multipl2
.Global seed for "test/fio/test_compression.py:test_compression_write_multiple" was: 347
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_mu0
.Global seed for "test/fio/test_compression.py:test_compression_read_write_multiple" was: 9366
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_mu1
.Global seed for "test/fio/test_compression.py:test_compression_read_write_multiple" was: 9366
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_mu2
.Global seed for "test/fio/test_compression.py:test_compression_read_write_multiple" was: 9366
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_mu3
.Global seed for "test/fio/test_compression.py:test_compression_read_write_multiple" was: 9366
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_mu4
.Global seed for "test/fio/test_compression.py:test_compression_read_write_multiple" was: 9366
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_mu5
.Global seed for "test/fio/test_compression.py:test_compression_read_write_multiple" was: 9366
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_modes_gz_0
.Global seed for "test/fio/test_compression.py:test_modes" was: 6518
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_modes_bz2_0
.Global seed for "test/fio/test_compression.py:test_modes" was: 6518
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_modes_xz_0
.Global seed for "test/fio/test_compression.py:test_modes" was: 6518

fio/test_cube.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cube_writing0
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Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cube_reading0
.Global seed for "test/fio/test_cube.py:test_cube_reading" was: 6939
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cube_reading_multiple0
.Global seed for "test/fio/test_cube.py:test_cube_reading_multiple" was: 11788
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_reading_using_io0
.Global seed for "test/fio/test_cube.py:test_reading_using_io" was: 9226

fio/test_dftb.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_dftb_genformat0
.Global seed for "test/fio/test_dftb.py:test_read_dftb_genformat" was: 11292
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_dftb_explicit0
.Global seed for "test/fio/test_dftb.py:test_read_dftb_explicit" was: 300
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_dftb_lattice0
.Global seed for "test/fio/test_dftb.py:test_read_dftb_lattice" was: 2961
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_dftb_velocities0
.Global seed for "test/fio/test_dftb.py:test_read_dftb_velocities" was: 12046
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_dftb_velocities0
.Global seed for "test/fio/test_dftb.py:test_write_dftb_velocities" was: 3063

fio/test_dlp.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_dlp0
.Global seed for "test/fio/test_dlp.py:test_dlp" was: 2406
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_dlp30
.Global seed for "test/fio/test_dlp.py:test_dlp3" was: 7472
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_dlp20
.Global seed for "test/fio/test_dlp.py:test_dlp2" was: 3660

fio/test_dmol.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_dmol0
.Global seed for "test/fio/test_dmol.py:test_dmol" was: 10017

fio/test_elk.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_elk_in0
mockparameter
17

avec
0.00000000000000 5.13060643164726 5.13060643164726
5.13060643164726 0.00000000000000 5.13060643164726
5.13060643164726 5.13060643164726 0.00000000000000

atoms
1
'Si.in' : spfname
2
0.00000000000000 0.00000000000000 -0.00000000000000 0.0 0.0 0.00000000000000
0.25000000000000 0.25000000000000 0.25000000000000 0.0 0.0 0.00000000000000

.Global seed for "test/fio/test_elk.py:test_elk_in" was: 6324
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_eigval0
.Global seed for "test/fio/test_elk.py:test_parse_eigval" was: 2332
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_elk0
.Global seed for "test/fio/test_elk.py:test_read_elk" was: 6364

fio/test_eon_multi_image_read.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_eon0
.Global seed for "test/fio/test_eon_multi_image_read.py:test_eon" was: 8326

fio/test_eon_readwrite.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_eon_read_single0
.Global seed for "test/fio/test_eon_readwrite.py:test_eon_read_single" was: 4366
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_eon_write_single0
.Global seed for "test/fio/test_eon_readwrite.py:test_eon_write_single" was: 10856
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_eon_roundtrip_multi0
.Global seed for "test/fio/test_eon_readwrite.py:test_eon_roundtrip_multi" was: 57
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_eon_read_multi0
.Global seed for "test/fio/test_eon_readwrite.py:test_eon_read_multi" was: 2831
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_eon_isotope_fail0
.Global seed for "test/fio/test_eon_readwrite.py:test_eon_isotope_fail" was: 10776
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_eon_masses0
.Global seed for "test/fio/test_eon_readwrite.py:test_eon_masses" was: 11853

fio/test_espresso_ph.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_espresso_ph_single0
.Global seed for "test/fio/test_espresso_ph.py:test_write_espresso_ph_single" was: 1756
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_espresso_ph_list0
.Global seed for "test/fio/test_espresso_ph.py:test_write_espresso_ph_list" was: 7457
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_espresso_ph_nat_tod0
.Global seed for "test/fio/test_espresso_ph.py:test_write_espresso_ph_nat_todo" was: 7345
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_espresso_ph_all0
.Global seed for "test/fio/test_espresso_ph.py:test_read_espresso_ph_all" was: 4773
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_espresso_ph_complex0
.Global seed for "test/fio/test_espresso_ph.py:test_read_espresso_ph_complex" was: 582

fio/test_external_io_formats.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_external_ioformat_valid0
.Global seed for "test/fio/test_external_io_formats.py:test_external_ioformat_valid" was: 8665
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_external_ioformat_already0
.Global seed for "test/fio/test_external_io_formats.py:test_external_ioformat_already_existing" was: 9850
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_external_ioformat_wrong_t0
.Global seed for "test/fio/test_external_io_formats.py:test_external_ioformat_wrong_type" was: 5121
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_external_ioformat_import_0
.Global seed for "test/fio/test_external_io_formats.py:test_external_ioformat_import_error" was: 6592

fio/test_extxyz.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_array_shape0
.Global seed for "test/fio/test_extxyz.py:test_array_shape" was: 4382
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_comment0
.Global seed for "test/fio/test_extxyz.py:test_comment" was: 1000
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_sequence0
.Global seed for "test/fio/test_extxyz.py:test_sequence" was: 8570
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vec_cell0
.Global seed for "test/fio/test_extxyz.py:test_vec_cell" was: 1537
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_slash0
.Global seed for "test/fio/test_extxyz.py:test_read_slash" was: 12196
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_struct0
.Global seed for "test/fio/test_extxyz.py:test_read_struct" was: 99
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_complex_key_val0
.Global seed for "test/fio/test_extxyz.py:test_complex_key_val" was: 11649
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_multiple0
.Global seed for "test/fio/test_extxyz.py:test_write_multiple" was: 7326
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_blank_comment0
.Global seed for "test/fio/test_extxyz.py:test_blank_comment" was: 6074
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_escape0
.Global seed for "test/fio/test_extxyz.py:test_escape" was: 1196
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_stress1
.Global seed for "test/fio/test_extxyz.py:test_stress" was: 12063
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_json_scalars0
.Global seed for "test/fio/test_extxyz.py:test_json_scalars" was: 2360
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_constraints_constraint0_0
.Global seed for "test/fio/test_extxyz.py:test_constraints" was: 11102
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_constraints_constraint1_0
.Global seed for "test/fio/test_extxyz.py:test_constraints" was: 11102
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_constraints_constraint2_0
.Global seed for "test/fio/test_extxyz.py:test_constraints" was: 11102
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_constraints_int0
.Global seed for "test/fio/test_extxyz.py:test_constraints_int" was: 7742
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_read_charges_True_T0
.Global seed for "test/fio/test_extxyz.py:test_write_read_charges" was: 1762
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_read_charges_True_F0
.Global seed for "test/fio/test_extxyz.py:test_write_read_charges" was: 1762
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_read_charges_False_0
.Global seed for "test/fio/test_extxyz.py:test_write_read_charges" was: 1762
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_read_charges_False_1
.Global seed for "test/fio/test_extxyz.py:test_write_read_charges" was: 1762
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pbc_property_True_True_Tr0
.Global seed for "test/fio/test_extxyz.py:test_pbc_property" was: 4467
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pbc_property_True_True_Fa0
.Global seed for "test/fio/test_extxyz.py:test_pbc_property" was: 4467
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pbc_property_False_false_0
.Global seed for "test/fio/test_extxyz.py:test_pbc_property" was: 4467
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pbc_property_True_true_T_0
.Global seed for "test/fio/test_extxyz.py:test_pbc_property" was: 4467
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pbc_property_True_false_T0
.Global seed for "test/fio/test_extxyz.py:test_pbc_property" was: 4467
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pbc_property_F_F_F_atoms_0
.Global seed for "test/fio/test_extxyz.py:test_pbc_property" was: 4467
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pbc_property_T_T_F_atoms_0
.Global seed for "test/fio/test_extxyz.py:test_pbc_property" was: 4467
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pbc_property_True_atoms_p0
.Global seed for "test/fio/test_extxyz.py:test_pbc_property" was: 4467
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pbc_property_False_atoms_0
.Global seed for "test/fio/test_extxyz.py:test_pbc_property" was: 4467
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_conflicting_fields0
.Global seed for "test/fio/test_extxyz.py:test_conflicting_fields" was: 1048
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_save_calc_results0
.Global seed for "test/fio/test_extxyz.py:test_save_calc_results" was: 11856
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_basic_functionality0
.Global seed for "test/fio/test_extxyz.py:test_basic_functionality" was: 2404
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_linear_combination_calcul0
.Global seed for "test/fio/test_extxyz.py:test_linear_combination_calculator" was: 10729

fio/test_fileobj.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_to_obj_name0
compare []
.Global seed for "test/fio/test_fileobj.py:test_write_to_obj_name" was: 10965

fio/test_formats.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_no_such_file0
.Global seed for "test/fio/test_formats.py:test_no_such_file" was: 8009
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_empty_file0
.Global seed for "test/fio/test_formats.py:test_empty_file" was: 627
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bad_format0
.Global seed for "test/fio/test_formats.py:test_bad_format" was: 3654

fio/test_gaussian.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_gaussian_carte0
.Global seed for "test/fio/test_gaussian.py:test_read_write_gaussian_cartesian" was: 4293
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_gaussian_carte1
.Global seed for "test/fio/test_gaussian.py:test_read_write_gaussian_cartesian_basis_set" was: 9440
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_gaussian_zmatr0
.Global seed for "test/fio/test_gaussian.py:test_read_write_gaussian_zmatrix" was: 6893
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_incorrect_mol_spec0
.Global seed for "test/fio/test_gaussian.py:test_incorrect_mol_spec" was: 8421
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gaussian_in_errors_u0
.Global seed for "test/fio/test_gaussian.py:test_read_gaussian_in_errors" was: 11302
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gaussian_in_errors_u1
.Global seed for "test/fio/test_gaussian.py:test_read_gaussian_in_errors" was: 11302
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gaussian_in_errors_u2
.Global seed for "test/fio/test_gaussian.py:test_read_gaussian_in_errors" was: 11302
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gaussian_in_command0
.Global seed for "test/fio/test_gaussian.py:test_read_gaussian_in_command" was: 5075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_gaussian_calc0
.Global seed for "test/fio/test_gaussian.py:test_write_gaussian_calc" was: 1860
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gaussian_regex0
.Global seed for "test/fio/test_gaussian.py:test_read_gaussian_regex" was: 10674

fio/test_gaussian_gjf_input.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_original_gjf_success0
.Global seed for "test/fio/test_gaussian_gjf_input.py:test_original_gjf_success" was: 7996
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fragment_gjf_success_10
.Global seed for "test/fio/test_gaussian_gjf_input.py:test_fragment_gjf_success_1" was: 9504
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fragment_gjf_success_20
.Global seed for "test/fio/test_gaussian_gjf_input.py:test_fragment_gjf_success_2" was: 971
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fragment_gjf_success_30
.Global seed for "test/fio/test_gaussian_gjf_input.py:test_fragment_gjf_success_3" was: 4783
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fragment_gjf_success_40
.Global seed for "test/fio/test_gaussian_gjf_input.py:test_fragment_gjf_success_4" was: 8595
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_original_gjf_fail_10
.Global seed for "test/fio/test_gaussian_gjf_input.py:test_original_gjf_fail_1" was: 7657
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_original_gjf_fail_20
.Global seed for "test/fio/test_gaussian_gjf_input.py:test_original_gjf_fail_2" was: 11469
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fragment_gjf_fail_10
.Global seed for "test/fio/test_gaussian_gjf_input.py:test_fragment_gjf_fail_1" was: 3453
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fragment_gjf_fail_20
.Global seed for "test/fio/test_gaussian_gjf_input.py:test_fragment_gjf_fail_2" was: 7265
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fragment_gjf_fail_30
.Global seed for "test/fio/test_gaussian_gjf_input.py:test_fragment_gjf_fail_3" was: 11077
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fragment_gjf_fail_40
.Global seed for "test/fio/test_gaussian_gjf_input.py:test_fragment_gjf_fail_4" was: 2544

fio/test_gaussian_out.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_match_magic0
.Global seed for "test/fio/test_gaussian_out.py:test_match_magic" was: 12095
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gaussian_out_l6010
.Global seed for "test/fio/test_gaussian_out.py:test_gaussian_out_l601" was: 6188
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gaussian_out_l7160
.Global seed for "test/fio/test_gaussian_out.py:test_gaussian_out_l716" was: 7270
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gaussian_out_lowdin0
.Global seed for "test/fio/test_gaussian_out.py:test_gaussian_out_lowdin" was: 9407
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gaussian_out_hirshfeld0
.Global seed for "test/fio/test_gaussian_out.py:test_gaussian_out_hirshfeld" was: 8979
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_spin_polarized0
.Global seed for "test/fio/test_gaussian_out.py:test_spin_polarized" was: 12109
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_mp20
.Global seed for "test/fio/test_gaussian_out.py:test_mp2" was: 2754
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ccsd0
.Global seed for "test/fio/test_gaussian_out.py:test_ccsd" was: 3720
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ccsd_t0
.Global seed for "test/fio/test_gaussian_out.py:test_ccsd_t" was: 4442
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gaussian_opt0
.Global seed for "test/fio/test_gaussian_out.py:test_gaussian_opt" was: 12276

fio/test_gen.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_False_None_False_0
.Global seed for "test/fio/test_gen.py:test_gen" was: 7963
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_False_None_True_0
.Global seed for "test/fio/test_gen.py:test_gen" was: 7963
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_False_cell1_False0
.Global seed for "test/fio/test_gen.py:test_gen" was: 7963
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_False_cell1_True_0
.Global seed for "test/fio/test_gen.py:test_gen" was: 7963
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_pbc1_None_False_0
.Global seed for "test/fio/test_gen.py:test_gen" was: 7963
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_pbc1_None_True_0
.Global seed for "test/fio/test_gen.py:test_gen" was: 7963
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_pbc1_cell1_False_0
.Global seed for "test/fio/test_gen.py:test_gen" was: 7963
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_pbc1_cell1_True_0
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Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xsd_0
sGlobal seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xsf_0
sGlobal seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xtd_0
sGlobal seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xyz_0
sGlobal seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317

fio/test_iread_path.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_iread_path0
.Global seed for "test/fio/test_iread_path.py:test_iread_path" was: 1457

fio/test_json_arrays.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_json_arrays0
[1, 2, 3] --> [1, 2, 3]
[1.0, 2.0, 3.0] --> [1.0, 2.0, 3.0]
[] --> []
[0 1 2] --> [0 1 2]
[0. 1. 2.] --> [0. 1. 2.]
[] --> []
[] --> []
[1.+0.j 1.+0.j] --> [1.+0.j 1.+0.j]
[1.+0.j 1.+0.j] --> [1.+0.j 1.+0.j]
.Global seed for "test/fio/test_json_arrays.py:test_json_arrays" was: 965

fio/test_jsonio.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_jsonio0
{'hello': 'world'}
{'hello': 'world'}
(0.5+1.5j)
{"__complex__": [0.5, 1.5]}
(0.5+1.5j)
2024-09-04 18:26:33.760368
{"__datetime__": "2024-09-04T18:26:33.760368"}
2024-09-04 18:26:33.760368
.Global seed for "test/fio/test_jsonio.py:test_jsonio" was: 4047
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_dict_with_int_key0
.Global seed for "test/fio/test_jsonio.py:test_dict_with_int_key" was: 5320

fio/test_jsonio_atoms.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_jsonio_atoms0
.Global seed for "test/fio/test_jsonio_atoms.py:test_jsonio_atoms" was: 6687
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_jsonio_constraints_cartes0
.Global seed for "test/fio/test_jsonio_atoms.py:test_jsonio_constraints_cartesian" was: 2194
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_jsonio_constraints_fix_at0
.Global seed for "test/fio/test_jsonio_atoms.py:test_jsonio_constraints_fix_atoms_empty" was: 4088

fio/test_lammpsdump.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_recognize_lammpsdump_ITEM0
.Global seed for "test/fio/test_lammpsdump.py:test_recognize_lammpsdump" was: 2464
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_recognize_lammpsdump_anyt0
.Global seed for "test/fio/test_lammpsdump.py:test_recognize_lammpsdump" was: 2464
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_order0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_order" was: 5502
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_element0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_element" was: 8970
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_single_atom0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_single_atom" was: 6242
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_errors0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_errors" was: 10507
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_position_readi0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_position_reading" was: 7560
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_position_readi1
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_position_reading" was: 7560
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_position_readi2
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_position_reading" was: 7560
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_position_readi3
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_position_reading" was: 7560
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_pp_pp_p0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_ss_mm_f0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_fs_sm_m0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_sf_ms_f0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_pp_ms_f0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_ff_pp_f0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_ff_mm_p0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_pp_ff_p0
.Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837

fio/test_magmom.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_magmom0
.Global seed for "test/fio/test_magmom.py:test_magmom" was: 10158

fio/test_magres.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_magres0
.Global seed for "test/fio/test_magres.py:test_magres" was: 877
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_magres_large0
.Global seed for "test/fio/test_magres.py:test_magres_large" was: 9488

fio/test_match_magic.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_match_magic1
.Global seed for "test/fio/test_match_magic.py:test_match_magic" was: 6262

fio/test_mustem.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_mustem_several_elements0
.Global seed for "test/fio/test_mustem.py:test_mustem_several_elements" was: 5504
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_mustem_single_elements0
.Global seed for "test/fio/test_mustem.py:test_mustem_single_elements" was: 11588

fio/test_netcdftrajectory.py ssss
fio/test_nomad.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nomad0
.Global seed for "test/fio/test_nomad.py:test_nomad" was: 10578

fio/test_nwchem.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem0
.Global seed for "test/fio/test_nwchem.py:test_nwchem" was: 5901
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_presteps0
.Global seed for "test/fio/test_nwchem.py:test_presteps" was: 2048
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doc_example_10
.Global seed for "test/fio/test_nwchem.py:test_doc_example_1" was: 7980
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doc_example_20
.Global seed for "test/fio/test_nwchem.py:test_doc_example_2" was: 11792
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_trailing_space0
.Global seed for "test/fio/test_nwchem.py:test_nwchem_trailing_space" was: 9076

fio/test_octopus.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecule0
.Global seed for "test/fio/test_octopus.py:test_molecule" was: 4873
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecule_box0
.Global seed for "test/fio/test_octopus.py:test_molecule_box" was: 4724
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_2d_surface0
.Global seed for "test/fio/test_octopus.py:test_2d_surface" was: 5023
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_3d_periodic0
.Global seed for "test/fio/test_octopus.py:test_3d_periodic" was: 6342

fio/test_oi.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_abinit_gsr_1
abinit-gsr          R 1S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_abinit_in_1
abinit-in           RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_abinit_out_1
abinit-out          R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_acemolecule_inpu1
acemolecule-input   R 1S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_acemolecule_out_1
acemolecule-out     R 1S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_aims_1
aims                RW1S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_aims_output_1
aims-output         R +S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_bundletrajectory1
bundletrajectory    RW+S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_castep_1
castep-castep       R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_cell_1
castep-cell         RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_geom_1
castep-geom         R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_md_1
castep-md           R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_phonon_1
castep-phonon       R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cfg_1
cfg                 RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cif_1
cif                 RW+F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cjson_1
cjson               R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cmdft_1
cmdft               R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cp2k_dcd_1
cp2k-dcd            R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cp2k_restart_1
cp2k-restart        R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_crystal_1
crystal             RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cube_1
cube                RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dacapo_text_1
dacapo-text         R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_db_1
db                  RW+S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dlp_history_1
dlp-history         R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dlp4_1
dlp4                RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_elk_1
elk                 R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_elk_in_1
elk-in               W1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_eps_1
eps                  W1S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_espresso_in_1
espresso-in         RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_espresso_out_1
espresso-out        R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_extxyz_1
extxyz              RW+F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_findsym_1
findsym              W+F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gamess_us_in_1
gamess-us-in         W1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gamess_us_out_1
gamess-us-out       R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gamess_us_punch_1
gamess-us-punch     R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gaussian_in_1
gaussian-in         RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gaussian_out_1
gaussian-out        R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gen_1
gen                 RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gpaw_out_1
gpaw-out            R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gpumd_1
gpumd               RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gpw_1
gpw                 R 1S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gromacs_1
gromacs             RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gromos_1
gromos              RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_html_1
html                 W1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_json_1
json                RW+F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_jsv_1
jsv                 RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_lammps_dump_bina1
lammps-dump-binary  R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_lammps_dump_text1
lammps-dump-text    R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_magres_1
magres              RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_mol_1
mol                 R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_nomad_json_1
nomad-json          R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_nwchem_in_1
nwchem-in           RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_nwchem_out_1
nwchem-out          R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_octopus_in_1
octopus-in          R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_onetep_in_1
onetep-in           RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_onetep_out_1
onetep-out          R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_png_1
png                  W1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_pov_1
pov                  W1S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_proteindatabank_1
proteindatabank     RW+F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_py_1
py                   W+F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_qbox_1
qbox                R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_res_1
res                 RW1S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_rmc6f_1
rmc6f               RW1S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_sdf_1
sdf                 R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_siesta_xv_1
siesta-xv           R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_struct_1
struct              RW1S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_struct_out_1
struct_out          R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_sys_1
sys                 RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_traj_1
traj                RW+F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_turbomole_1
turbomole           RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_turbomole_gradie1
turbomole-gradient  R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vasp_1
vasp                RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vasp_out_1
vasp-out            R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vasp_xdatcar_1
vasp-xdatcar        RW+F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vasp_xml_1
vasp-xml            R +F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_wout_1
wout                R 1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_x3d_1
x3d                  W1S
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xsd_1
xsd                 RW1F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xsf_1
xsf                 RW+F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xtd_1
xtd                 RW+F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xyz_1
xyz                 RW+F
.Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653

fio/test_oldtraj.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_oldtraj0
.Global seed for "test/fio/test_oldtraj.py:test_oldtraj" was: 689

fio/test_onetep.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_onetep_input0
.Global seed for "test/fio/test_onetep.py:test_onetep_input" was: 1151
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_onetep_output0
.Global seed for "test/fio/test_onetep.py:test_onetep_output" was: 12206
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_geom_output0
.Global seed for "test/fio/test_onetep.py:test_geom_output" was: 9314
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_weird_output0
.Global seed for "test/fio/test_onetep.py:test_weird_output" was: 3970

fio/test_openmx.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_openmx_out0
.Global seed for "test/fio/test_openmx.py:test_openmx_out" was: 7682
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_openmx_read_eigenvalues0
.Global seed for "test/fio/test_openmx.py:test_openmx_read_eigenvalues" was: 6113

fio/test_opls.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_opls_write_lammps0
.Global seed for "test/fio/test_opls.py:test_opls_write_lammps" was: 11331

fio/test_orca.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_orca_inputfile0
.Global seed for "test/fio/test_orca.py:test_orca_inputfile" was: 6051
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_geom_orcainp0
.Global seed for "test/fio/test_orca.py:test_read_geom_orcainp" was: 6989
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_orca_outputs0
.Global seed for "test/fio/test_orca.py:test_read_orca_outputs" was: 367
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_dipole0
.Global seed for "test/fio/test_orca.py:test_read_dipole" was: 4236
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_energy0
.Global seed for "test/fio/test_orca.py:test_read_energy" was: 2425

fio/test_parallel.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parallel0
.Global seed for "test/fio/test_parallel.py:test_parallel" was: 9489

fio/test_pdb_cell_io.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_cell_io_1_0
.Global seed for "test/fio/test_pdb_cell_io.py:test_pdb_cell_io" was: 9124
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_cell_io_2_0
.Global seed for "test/fio/test_pdb_cell_io.py:test_pdb_cell_io" was: 9124
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_nonbulk_read0
.Global seed for "test/fio/test_pdb_cell_io.py:test_pdb_nonbulk_read" was: 153
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_no_periodic0
.Global seed for "test/fio/test_pdb_cell_io.py:test_pdb_no_periodic" was: 2697

fio/test_pdb_extra.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_read0
.Global seed for "test/fio/test_pdb_extra.py:test_pdb_read" was: 3423
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_read_with_arrays0
.Global seed for "test/fio/test_pdb_extra.py:test_pdb_read_with_arrays" was: 7328

fio/test_pickle_bundle_trajectory.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_raises0
.Global seed for "test/fio/test_pickle_bundle_trajectory.py:test_raises" was: 10990
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_read_pickle0
.Global seed for "test/fio/test_pickle_bundle_trajectory.py:test_write_read_pickle" was: 8372
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_read_bundle0
xGlobal seed for "test/fio/test_pickle_bundle_trajectory.py:test_write_read_bundle" was: 4563
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_append_pickle0
.Global seed for "test/fio/test_pickle_bundle_trajectory.py:test_append_pickle" was: 2234
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_append_bundle0
xGlobal seed for "test/fio/test_pickle_bundle_trajectory.py:test_append_bundle" was: 10770
<frozen runpy>:128: RuntimeWarning: 'ase.io.trajectory' found in sys.modules after import of package 'ase.io', but prior to execution of 'ase.io.trajectory'; this may result in unpredictable behaviour
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_old_trajectory_conversion0
.Global seed for "test/fio/test_pickle_bundle_trajectory.py:test_old_trajectory_conversion_utility" was: 8465
<frozen runpy>:128: RuntimeWarning: 'ase.io.bundletrajectory' found in sys.modules after import of package 'ase.io', but prior to execution of 'ase.io.bundletrajectory'; this may result in unpredictable behaviour
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bundletrajectory_info0
.Global seed for "test/fio/test_pickle_bundle_trajectory.py:test_bundletrajectory_info" was: 3069

fio/test_povray.py ssTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_deprecated0
.Global seed for "test/fio/test_povray.py:test_deprecated" was: 6393
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compute_isosurface0
sGlobal seed for "test/fio/test_povray.py:test_compute_isosurface" was: 5751
s
fio/test_prismatic.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_read_cycle_xyz_pris0
.Global seed for "test/fio/test_prismatic.py:test_write_read_cycle_xyz_prismatic" was: 2800
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_error0
.Global seed for "test/fio/test_prismatic.py:test_write_error" was: 9154

fio/test_proteindatabank.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_optional_tag_body_wit0
.Global seed for "test/fio/test_proteindatabank.py:test_pdb_optional_tag_body_without_header" was: 12000
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_optional_tag_body_wit1
.Global seed for "test/fio/test_proteindatabank.py:test_pdb_optional_tag_body_without_header" was: 12000
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_optional_tag_body_wit2
.Global seed for "test/fio/test_proteindatabank.py:test_pdb_optional_tag_body_without_header" was: 12000
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_optional_tag_body__nA0
.Global seed for "test/fio/test_proteindatabank.py:test_pdb_optional_tag_body" was: 1666
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_optional_tag_body__nA1
.Global seed for "test/fio/test_proteindatabank.py:test_pdb_optional_tag_body" was: 1666
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_optional_tag_body__nA2
.Global seed for "test/fio/test_proteindatabank.py:test_pdb_optional_tag_body" was: 1666
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_optional_heading__nCR0
.Global seed for "test/fio/test_proteindatabank.py:test_pdb_optional_heading" was: 6301
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_optional_heading__nRE0
.Global seed for "test/fio/test_proteindatabank.py:test_pdb_optional_heading" was: 6301
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_filled_optional_field0
.Global seed for "test/fio/test_proteindatabank.py:test_pdb_filled_optional_fields" was: 5172
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_unfilled_optional_fie0
.Global seed for "test/fio/test_proteindatabank.py:test_pdb_unfilled_optional_fields" was: 10627

fio/test_pycodcif_read.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pycodcif0
sGlobal seed for "test/fio/test_pycodcif_read.py:test_pycodcif" was: 526

fio/test_qbox.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_output0
.Global seed for "test/fio/test_qbox.py:test_read_output" was: 1449
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_format1
.Global seed for "test/fio/test_qbox.py:test_format" was: 455

fio/test_readwrite_errors.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_readwrite_errors0
.Global seed for "test/fio/test_readwrite_errors.py:test_readwrite_errors" was: 5452
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_with_at_in0
.Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_with_at_in_ext" was: 9115
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_with_at_in1
.Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_with_at_in_path" was: 97
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_no_ext0
.Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_no_ext" was: 11006
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_with_at_no0
.Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_with_at_no_ext" was: 6711
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_bad_slice0
.Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_bad_slice" was: 6611
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_db_entry0
.Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_db_entry" was: 1920
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_do_not_spl0
.Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_do_not_split" was: 9353

fio/test_res.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_res0
.Global seed for "test/fio/test_res.py:test_res" was: 4708

fio/test_rmc6f.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read0
.Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read" was: 734
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_write0
.Global seed for "test/fio/test_rmc6f.py:test_rmc6f_write" was: 463
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_write_with_order0
.Global seed for "test/fio/test_rmc6f.py:test_rmc6f_write_with_order" was: 10990
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_write_with_triclini0
.Global seed for "test/fio/test_rmc6f.py:test_rmc6f_write_with_triclinic_system" was: 4044
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read_construct_rege0
.Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read_construct_regex" was: 4803
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read_line_of_atoms_0
.Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read_line_of_atoms_section_style_no_labels" was: 11549
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read_line_of_atoms_1
.Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read_line_of_atoms_section_style_labels" was: 8645
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read_line_of_atoms_2
.Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read_line_of_atoms_section_style_magnetic" was: 11234
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read_process_rmc6f_0
.Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read_process_rmc6f_lines_to_pos_and_cell" was: 9111
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read_process_rmc6f_1
.Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read_process_rmc6f_lines_to_pos_and_cell_padded_whitespace" was: 7296
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_write_output_column0
.Global seed for "test/fio/test_rmc6f.py:test_rmc6f_write_output_column_format" was: 1189
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_write_output0
.Global seed for "test/fio/test_rmc6f.py:test_rmc6f_write_output" was: 8863

fio/test_sdf.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_sdf0
.Global seed for "test/fio/test_sdf.py:test_read_sdf" was: 9005
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_get_num_atoms_sdf_v20000
.Global seed for "test/fio/test_sdf.py:test_get_num_atoms_sdf_v2000" was: 183

fio/test_siesta.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_struct_out0
.Global seed for "test/fio/test_siesta.py:test_read_struct_out" was: 11572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_fdf0
.Global seed for "test/fio/test_siesta.py:test_read_fdf" was: 7646
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_xv0
.Global seed for "test/fio/test_siesta.py:test_read_xv" was: 5945

fio/test_traj_bytesio.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_traj_bytesio0
.Global seed for "test/fio/test_traj_bytesio.py:test_traj_bytesio" was: 7715

fio/test_trajectory.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_trajectory0
[[0.  0.  0.5]
 [0.  0.  1.7]]
1 1.3
1 1.4000000000000001
1 1.5000000000000002
1 1.6000000000000003
1 1.7000000000000004
1 2.7
.Global seed for "test/fio/test_trajectory.py:test_trajectory" was: 9952
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_append_nonexistent_file0
.Global seed for "test/fio/test_trajectory.py:test_append_nonexistent_file" was: 2633
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_only_energy0
.Global seed for "test/fio/test_trajectory.py:test_only_energy" was: 7690
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_constraint_and_momenta0
.Global seed for "test/fio/test_trajectory.py:test_constraint_and_momenta" was: 1225

fio/test_trajectory_heterogeneous.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_trajectory_heterogeneous0
0 False
1 False
2 True
3 True
4 True
5 True
0 Atoms(symbols='OH2', pbc=False)
{'pbc': array([False, False, False]), 'numbers': array([8, 1, 1]), 'masses': None, 'constraints': []}
{'pbc': array([False, False, False]), 'numbers': array([8, 1, 1]), 'masses': None, 'constraints': []}

1 Atoms(symbols='OH2', pbc=False)
{'pbc': array([False, False, False]), 'numbers': array([8, 1, 1]), 'masses': None, 'constraints': []}
{'pbc': array([False, False, False]), 'numbers': array([8, 1, 1]), 'masses': None, 'constraints': []}

2 Atoms(symbols='OH2', pbc=False, cell=[4.0, 5.526478, 4.596309], masses=...)
{'pbc': array([False, False, False]), 'numbers': array([8, 1, 1]), 'masses': array([15.999,  1.008,  1.008]), 'constraints': []}
{'pbc': array([False, False, False]), 'numbers': array([8, 1, 1]), 'masses': array([15.999,  1.008,  1.008]), 'constraints': []}

3 Atoms(symbols='C2OH6', pbc=False, constraint=FixAtoms(indices=[0, 1, 2]))
{'pbc': array([False, False, False]), 'numbers': array([6, 6, 8, 1, 1, 1, 1, 1, 1]), 'masses': None, 'constraints': [FixAtoms(indices=[0, 1, 2])]}
{'pbc': array([False, False, False]), 'numbers': array([6, 6, 8, 1, 1, 1, 1, 1, 1]), 'masses': None, 'constraints': [FixAtoms(indices=[0, 1, 2])]}

4 Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]], constraint=FixAtoms(indices=[0, 1, 2, 3]))
{'pbc': array([ True,  True,  True]), 'numbers': array([79, 79, 79, 79, 79, 79, 79, 79]), 'masses': None, 'constraints': [FixAtoms(indices=[0, 1, 2, 3])]}
{'pbc': array([ True,  True,  True]), 'numbers': array([79, 79, 79, 79, 79, 79, 79, 79]), 'masses': None, 'constraints': [FixAtoms(indices=[0, 1, 2, 3])]}

5 Atoms(symbols='Cu12', pbc=True, cell=[[0.0, 3.61, 3.61], [3.61, 0.0, 3.61], [5.415, 5.415, 0.0]], constraint=[FixAtoms(indices=[0, 1, 2, 3, 4]), <ase.constraints.FixBondLengths object at 0x7fb7f9538280>])
{'pbc': array([ True,  True,  True]), 'numbers': array([29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29]), 'masses': None, 'constraints': [FixAtoms(indices=[0, 1, 2, 3, 4]), <ase.constraints.FixBondLengths object at 0x7fb7f9538280>]}
{'pbc': array([ True,  True,  True]), 'numbers': array([29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29]), 'masses': None, 'constraints': [FixAtoms(indices=[0, 1, 2, 3, 4]), <ase.constraints.FixBondLengths object at 0x7fb7f9538210>]}

.Global seed for "test/fio/test_trajectory_heterogeneous.py:test_trajectory_heterogeneous" was: 12175

fio/test_turbomole.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_turbomole0
.Global seed for "test/fio/test_turbomole.py:test_turbomole" was: 1921

fio/test_ulm.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_open_anypathlike0
.Global seed for "test/fio/test_ulm.py:test_open_anypathlike" was: 2777
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ulm0
.Global seed for "test/fio/test_ulm.py:test_ulm" was: 8593
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_append0
.Global seed for "test/fio/test_ulm.py:test_append" was: 9837
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ulm_copy0
.Global seed for "test/fio/test_ulm.py:test_ulm_copy" was: 5655

fio/test_ulm_dummy.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_dummy_write0
.Global seed for "test/fio/test_ulm_dummy.py:test_dummy_write" was: 7054

fio/test_v_sim.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_v_sim0
.Global seed for "test/fio/test_v_sim.py:test_v_sim" was: 5171

fio/test_vasp_structure.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_roundtrip0
.Global seed for "test/fio/test_vasp_structure.py:test_roundtrip" was: 2453
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_roundtrip_single_atoms0
.Global seed for "test/fio/test_vasp_structure.py:test_roundtrip_single_atoms" was: 3742
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_typeerror0
.Global seed for "test/fio/test_vasp_structure.py:test_typeerror" was: 4608
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_index0
.Global seed for "test/fio/test_vasp_structure.py:test_index" was: 8046
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_FixAtoms0
.Global seed for "test/fio/test_vasp_structure.py:test_FixAtoms" was: 319
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_FixScaled0
.Global seed for "test/fio/test_vasp_structure.py:test_FixScaled" was: 10603
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_FixedLine_and_Plane_Fixed0
.Global seed for "test/fio/test_vasp_structure.py:test_FixedLine_and_Plane" was: 2931
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_FixedLine_and_Plane_Fixed1
.Global seed for "test/fio/test_vasp_structure.py:test_FixedLine_and_Plane" was: 2931

fio/test_wout.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_wout0
.Global seed for "test/fio/test_wout.py:test_wout" was: 3156
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_wout_all0
.Global seed for "test/fio/test_wout.py:test_wout_all" was: 3254

fio/test_xsd_bond.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_xsd_bond0
.Global seed for "test/fio/test_xsd_bond.py:test_xsd_bond" was: 835

fio/test_xsf_spec.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_xsf_spec0
Read: 01-comments.xsf
  Images: 1
    Atoms(symbols='SZn', pbc=True, cell=[[2.71, 2.71, 0.0], [2.71, 0.0, 2.71], [0.0, 2.71, 2.71]])
Read: 01-comments-ignore-datagrid.xsf
  Images: 1
    Atoms(symbols='SZn', pbc=True, cell=[[2.71, 2.71, 0.0], [2.71, 0.0, 2.71], [0.0, 2.71, 2.71]])
Read: 01-comments-read-datagrid.xsf
  Images: 1
    Atoms(symbols='SZn', pbc=True, cell=[[2.71, 2.71, 0.0], [2.71, 0.0, 2.71], [0.0, 2.71, 2.71]])
[[[0.    1.    2.    3.    4.   ]
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  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
Read: 02-atoms.xsf
  Images: 1
    Atoms(symbols='CHF2OCF2OCHF2', pbc=False)
Read: 02-atoms-ignore-datagrid.xsf
  Images: 1
    Atoms(symbols='CHF2OCF2OCHF2', pbc=False)
Read: 02-atoms-read-datagrid.xsf
  Images: 1
    Atoms(symbols='CHF2OCF2OCHF2', pbc=False)
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
Read: 03-periodic.xsf
  Images: 1
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
Read: 03-periodic-ignore-datagrid.xsf
  Images: 1
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
Read: 03-periodic-read-datagrid.xsf
  Images: 1
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
Read: 04-forces-atoms.xsf
  Images: 1
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
Read: 04-forces-atoms-ignore-datagrid.xsf
  Images: 1
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
Read: 04-forces-atoms-read-datagrid.xsf
  Images: 1
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
Read: 05-forces-slab.xsf
  Images: 1
    Atoms(symbols='CH2CH2OAg4', pbc=[True, True, False], cell=[5.8859828533, 5.8859828533, 1.0], calculator=SinglePointCalculator(...))
Read: 05-forces-slab-ignore-datagrid.xsf
  Images: 1
    Atoms(symbols='CH2CH2OAg4', pbc=[True, True, False], cell=[5.8859828533, 5.8859828533, 1.0], calculator=SinglePointCalculator(...))
Read: 05-forces-slab-read-datagrid.xsf
  Images: 1
    Atoms(symbols='CH2CH2OAg4', pbc=[True, True, False], cell=[5.8859828533, 5.8859828533, 1.0], calculator=SinglePointCalculator(...))
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
Read: 06-anim-atoms.xsf
  Images: 4
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
Read: 06-anim-atoms-ignore-datagrid.xsf
  Images: 4
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
Read: 06-anim-atoms-read-datagrid.xsf
  Images: 4
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
Read: 07-anim-crystal-fixcell.xsf
  Images: 2
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
Read: 07-anim-crystal-fixcell-ignore-datagrid.xsf
  Images: 2
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
Read: 07-anim-crystal-fixcell-read-datagrid.xsf
  Images: 2
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
Read: 08-anim-crystal-varcell.xsf
  Images: 2
    Atoms(symbols='SZn', pbc=True, cell=[[2.71, 2.71, 0.0], [2.71, 0.0, 2.71], [0.0, 2.71, 2.71]])
    Atoms(symbols='SZn', pbc=True, cell=[[2.981, 2.981, 0.0], [2.981, 0.0, 2.981], [0.0, 2.981, 2.981]])
Read: 08-anim-crystal-varcell-ignore-datagrid.xsf
  Images: 2
    Atoms(symbols='SZn', pbc=True, cell=[[2.71, 2.71, 0.0], [2.71, 0.0, 2.71], [0.0, 2.71, 2.71]])
    Atoms(symbols='SZn', pbc=True, cell=[[2.981, 2.981, 0.0], [2.981, 0.0, 2.981], [0.0, 2.981, 2.981]])
Read: 08-anim-crystal-varcell-read-datagrid.xsf
  Images: 2
    Atoms(symbols='SZn', pbc=True, cell=[[2.71, 2.71, 0.0], [2.71, 0.0, 2.71], [0.0, 2.71, 2.71]])
    Atoms(symbols='SZn', pbc=True, cell=[[2.981, 2.981, 0.0], [2.981, 0.0, 2.981], [0.0, 2.981, 2.981]])
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]

 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]

 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]

 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]

 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
.Global seed for "test/fio/test_xsf_spec.py:test_xsf_spec" was: 793

fio/test_xyz.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_write_and_read0
.Global seed for "test/fio/test_xyz.py:test_single_write_and_read" was: 10068
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_write_with_forces0
.Global seed for "test/fio/test_xyz.py:test_single_write_with_forces" was: 364
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_write_and_read_wit0
.Global seed for "test/fio/test_xyz.py:test_single_write_and_read_with_comment" was: 523
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_write_with_newline0
.Global seed for "test/fio/test_xyz.py:test_single_write_with_newline_comment" was: 7051
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_write_with_newline1
.Global seed for "test/fio/test_xyz.py:test_single_write_with_newline_comment" was: 7051
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_multiple_write_and_read0
.Global seed for "test/fio/test_xyz.py:test_multiple_write_and_read" was: 11097

fio/vasp/test_incar_writer.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_string_to_incar0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_string_to_incar" was: 2184
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_integer_to_incar0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_integer_to_incar" was: 3110
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_bool_to_incar0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_bool_to_incar" was: 10836
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_float_to_incar0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_float_to_incar" was: 7913
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_list_to_incar0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_list_to_incar" was: 789
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_tuple_to_incar0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_tuple_to_incar" was: 249
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_array_to_incar0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_array_to_incar" was: 8151
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_multiple_text_to_in0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_multiple_text_to_incar" was: 2233
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_multiline_string_to0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_multiline_string_to_incar" was: 6417
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_dictionary_to_incar0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_dictionary_to_incar" was: 11726
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_complex_dictionary_0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_complex_dictionary_to_incar" was: 7809
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_incar_directly0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_incar_directly" was: 8115
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_incar_no_parameters0
.Global seed for "test/fio/vasp/test_incar_writer.py:test_write_incar_no_parameters" was: 5982

fio/vasp/test_poscar.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_poscar_no_species0
.Global seed for "test/fio/vasp/test_poscar.py:test_read_poscar_no_species" was: 5892

fio/vasp/test_read_vasp_xml.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_dfpt_dielectric1
.Global seed for "test/fio/vasp/test_read_vasp_xml.py:test_parse_dfpt_dielectric" was: 1623
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_atoms0
.Global seed for "test/fio/vasp/test_read_vasp_xml.py:test_atoms" was: 3761
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_calculation0
.Global seed for "test/fio/vasp/test_read_vasp_xml.py:test_calculation" was: 11564
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_two_calculations0
.Global seed for "test/fio/vasp/test_read_vasp_xml.py:test_two_calculations" was: 7437
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_corrupted_calculation0
.Global seed for "test/fio/vasp/test_read_vasp_xml.py:test_corrupted_calculation" was: 3719
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_parameters0
.Global seed for "test/fio/vasp/test_read_vasp_xml.py:test_vasp_parameters" was: 2835

fio/vasp/test_vasp_out.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_out0
.Global seed for "test/fio/vasp/test_vasp_out.py:test_vasp_out" was: 4348
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_out_kpoints0
.Global seed for "test/fio/vasp/test_vasp_out.py:test_vasp_out_kpoints" was: 9511
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_kpt_value_0_0_98__3_0
.Global seed for "test/fio/vasp/test_vasp_out.py:test_vasp_kpt_value" was: 2516
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_kpt_value_0_1_82__3_0
.Global seed for "test/fio/vasp/test_vasp_out.py:test_vasp_kpt_value" was: 2516
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_kpt_value_0_1_36__4_0
.Global seed for "test/fio/vasp/test_vasp_out.py:test_vasp_kpt_value" was: 2516
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_out_pbc0
.Global seed for "test/fio/vasp/test_vasp_out.py:test_vasp_out_pbc" was: 5573
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_vasp_multiple_times0
Atoms(symbols='Ni18', pbc=True, cell=[17.93435, 17.93435, 17.93435], calculator=SinglePointDFTCalculator(...))
Atoms(symbols='Ni18', pbc=True, cell=[17.93435, 17.93435, 17.93435], calculator=SinglePointDFTCalculator(...))
.Global seed for "test/fio/vasp/test_vasp_out.py:test_read_vasp_multiple_times" was: 5010

fio/vasp/test_vasp_outcar_parsers.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_convert_stress_stress0_ex0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_convert_stress" was: 127
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_stress_stress1_0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_stress" was: 486
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_stress_stress2_0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_stress" was: 486
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_stress_problematic_stress0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_stress_problematic" was: 508
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cell_parser0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_cell_parser" was: 11504
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_position_and_forces0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_position_and_forces" was: 5611
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_magmom1
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_magmom" was: 1228
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_non_collinear_magmom0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_non_collinear_magmom" was: 1013
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_magmom_wrong_line0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_magmom_wrong_line" was: 11993
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_magmoms0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_magmoms" was: 8633
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_non_collinearmagmoms0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_non_collinearmagmoms" was: 3086
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_energy0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_energy" was: 3390
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_efermi0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_efermi" was: 8518
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_kpoints0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_kpoints" was: 11947
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_kpoints_header_multiple_l0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_kpoints_header_multiple_lines" was: 3776
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_kpoints_header0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_kpoints_header" was: 7728
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_in_outcar__P0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_in_outcar" was: 8854
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_in_outcar__P1
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_in_outcar" was: 8854
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_in_outcar__P2
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_in_outcar" was: 8854
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_in_outcar__P3
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_in_outcar" was: 8854
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_in_outcar__P4
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_in_outcar" was: 8854
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_parse_error_0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_parse_error" was: 9551
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_parse_error_1
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_parse_error" was: 9551
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ions_per_species_ions1_0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_ions_per_species" was: 11104
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ions_per_species_ions2_0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_ions_per_species" was: 11104
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_potcar_repeated_entry0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_potcar_repeated_entry" was: 5617
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_header_parser_mak0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_default_header_parser_make_parsers" was: 1768
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp6_kpoints_reading0
.Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_vasp6_kpoints_reading" was: 1782

fio/vasp/test_vasp_poscar.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_roundtrip_True0
.Global seed for "test/fio/vasp/test_vasp_poscar.py:test_read_write_roundtrip" was: 11943
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_roundtrip_True1
.Global seed for "test/fio/vasp/test_vasp_poscar.py:test_read_write_roundtrip" was: 11943
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_roundtrip_Fals0
.Global seed for "test/fio/vasp/test_vasp_poscar.py:test_read_write_roundtrip" was: 11943
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_roundtrip_Fals1
.Global seed for "test/fio/vasp/test_vasp_poscar.py:test_read_write_roundtrip" was: 11943
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_vasp5_kwargs0_POSCA0
.Global seed for "test/fio/vasp/test_vasp_poscar.py:test_write_vasp5" was: 11185
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_vasp5_kwargs0_CONTC0
.Global seed for "test/fio/vasp/test_vasp_poscar.py:test_write_vasp5" was: 11185
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_vasp5_kwargs1_POSCA0
.Global seed for "test/fio/vasp/test_vasp_poscar.py:test_write_vasp5" was: 11185
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_vasp5_kwargs1_CONTC0
.Global seed for "test/fio/vasp/test_vasp_poscar.py:test_write_vasp5" was: 11185
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_negative_scaling_fac0
.Global seed for "test/fio/vasp/test_vasp_poscar.py:test_read_negative_scaling_factor" was: 6276
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_multiple_scaling_fac0
.Global seed for "test/fio/vasp/test_vasp_poscar.py:test_read_multiple_scaling_factors" was: 5584
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_unwrapped_scaled_position0
.Global seed for "test/fio/vasp/test_vasp_poscar.py:test_unwrapped_scaled_positions" was: 5329

forcefields/test_acn.py [[-0.01947952  0.01171301  0.        ]
 [-0.03766809  0.10079281  0.        ]
 [ 0.03943828  0.04307678  0.        ]
 [ 0.01947952 -0.01171301  0.        ]
 [ 0.03766809 -0.10079281  0.        ]
 [-0.03943828 -0.04307678  0.        ]]
[[ 9.01121785e-10 -8.10346392e-08  0.00000000e+00]
 [ 7.70121648e-09 -2.48202503e-07  0.00000000e+00]
 [-4.22865243e-10 -6.09350621e-08  0.00000000e+00]
 [-9.01121781e-10  8.10345837e-08  0.00000000e+00]
 [-7.70123035e-09  2.48202503e-07  0.00000000e+00]
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.Global seed for "test/forcefields/test_acn.py:test_acn" was: 1809

forcefields/test_aic.py [[ 0.00000000e+00  0.00000000e+00 -8.80870488e-10]
 [ 0.00000000e+00  0.00000000e+00 -4.51397142e-10]]
.Global seed for "test/forcefields/test_aic.py:test_aic" was: 2971

forcefields/test_combine_mm.py <class 'ase.calculators.tip3p.TIP3P'>
[[-6.38378239e-16  0.00000000e+00  0.00000000e+00]
 [ 1.38777878e-17  0.00000000e+00 -3.46944695e-18]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 6.66133815e-16  0.00000000e+00  3.46944695e-18]
 [ 6.93889390e-18  1.73472348e-18  0.00000000e+00]
 [ 6.93889390e-18 -1.73472348e-18  0.00000000e+00]]
<class 'ase.calculators.tip4p.TIP4P'>
[[ 5.55111512e-16  0.00000000e+00 -8.67361738e-19]
 [-3.46944695e-18  0.00000000e+00  1.30104261e-18]
 [ 1.38777878e-17  0.00000000e+00  1.30104261e-18]
 [-5.55111512e-16  0.00000000e+00 -1.73472348e-18]
 [-1.73472348e-17  0.00000000e+00  0.00000000e+00]
 [-1.73472348e-17  0.00000000e+00  0.00000000e+00]]
TIP3P/TIP4P
[[ 1.97537570e-10  0.00000000e+00  0.00000000e+00]
 [ 5.96086860e-11  0.00000000e+00  3.45333415e-11]
 [-1.68935685e-10  0.00000000e+00  0.00000000e+00]
 [-6.50236642e-10  0.00000000e+00  1.20945337e-10]
 [ 1.94276536e-10  7.22125641e-11  6.10385384e-11]
 [-8.32792203e-11 -3.49768320e-10  6.10385384e-11]]
.Global seed for "test/forcefields/test_combine_mm.py:test_combine_mm" was: 1189

forcefields/test_combine_mm2.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_combine_mm20
combinemm:                    [0, 1, 2]: Same Geometry as TIP3P
combinemm:                    [3, 4, 5]: Same Geometry as TIP3P
combinemm:                    [6, 7, 8]: Same Geometry as TIP3P
combinemm:                  [9, 10, 11]: Same Geometry as TIP3P
combinemm:           [0, 1, 2, 3, 4, 5]: Same Geometry as TIP3P
combinemm:  [0, 1, 2, 3, 4, 5, 6, 7, 8]: Same Geometry as TIP3P
combinemm:         [6, 7, 8, 9, 10, 11]: Same Geometry as TIP3P
.Global seed for "test/forcefields/test_combine_mm2.py:test_combine_mm2" was: 6830

forcefields/test_counterions.py .Global seed for "test/forcefields/test_counterions.py:test_counterions" was: 964

forcefields/test_forceqmmm.py N_cell 10 N_MM 4000 Size 36.1
.Global seed for "test/forcefields/test_forceqmmm.py:test_qm_buffer_mask" was: 12336
.Global seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
.Global seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
.Global seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
.Global seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
.Global seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
.Global seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
.Global seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
.Global seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
.Global seed for "test/forcefields/test_forceqmmm.py:test_rescaled_calculator" was: 12254
31
N_cell 2 N_MM 31 Size 7.22
      Step     Time          Energy          fmax
FIRE:    0 18:26:39        1.074467        0.078385
FIRE:    1 18:26:39        1.073756        0.072836
FIRE:    2 18:26:39        1.072530        0.062146
FIRE:    3 18:26:39        1.071126        0.047112
FIRE:    4 18:26:39        1.069919        0.028887
FIRE:    5 18:26:39        1.069212        0.013181
FIRE:    6 18:26:39        1.069125        0.011929
FIRE:    7 18:26:39        1.069117        0.011599
FIRE:    8 18:26:39        1.069104        0.010948
FIRE:    9 18:26:39        1.069085        0.009995
FIRE:   10 18:26:39        1.069063        0.008765
FIRE:   11 18:26:39        1.069040        0.007292
FIRE:   12 18:26:39        1.069019        0.005618
FIRE:   13 18:26:39        1.069001        0.004117
FIRE:   14 18:26:39        1.068988        0.002486
FIRE:   15 18:26:39        1.068983        0.000716
R_QM             3   N_QM        12
R_QM + buffer: 13.75 N_QM_buffer 31
                     N_total:    31
      Step     Time          Energy          fmax
FIRE:    0 18:26:39        0.000000        0.078385
FIRE:    1 18:26:39        0.000000        0.072730
FIRE:    2 18:26:39        0.000000        0.061816
FIRE:    3 18:26:39        0.000000        0.046414
FIRE:    4 18:26:39        0.000000        0.027621
FIRE:    5 18:26:39        0.000000        0.006799
FIRE:    6 18:26:39        0.000000        0.014315
FIRE:    7 18:26:39        0.000000        0.014040
FIRE:    8 18:26:39        0.000000        0.013494
FIRE:    9 18:26:39        0.000000        0.012689
FIRE:   10 18:26:39        0.000000        0.011639
FIRE:   11 18:26:39        0.000000        0.010364
FIRE:   12 18:26:39        0.000000        0.008889
FIRE:   13 18:26:39        0.000000        0.007241
FIRE:   14 18:26:39        0.000000        0.005257
FIRE:   15 18:26:39        0.000000        0.002923
FIRE:   16 18:26:39        0.000000        0.001268
FIRE:   17 18:26:39        0.000000        0.002536
FIRE:   18 18:26:39        0.000000        0.002513
FIRE:   19 18:26:39        0.000000        0.002468
FIRE:   20 18:26:39        0.000000        0.002401
FIRE:   21 18:26:39        0.000000        0.002312
FIRE:   22 18:26:39        0.000000        0.002203
FIRE:   23 18:26:39        0.000000        0.002074
FIRE:   24 18:26:39        0.000000        0.001927
FIRE:   25 18:26:39        0.000000        0.001746
FIRE:   26 18:26:39        0.000000        0.001525
FIRE:   27 18:26:39        0.000000        0.001260
FIRE:   28 18:26:39        0.000000        0.000949
R_QM             7   N_QM        31
R_QM + buffer: 17.75 N_QM_buffer 31
                     N_total:    31
      Step     Time          Energy          fmax
FIRE:    0 18:26:39        0.000000        0.078385
FIRE:    1 18:26:39        0.000000        0.072836
FIRE:    2 18:26:39        0.000000        0.062146
FIRE:    3 18:26:39        0.000000        0.047112
FIRE:    4 18:26:39        0.000000        0.028887
FIRE:    5 18:26:39        0.000000        0.013181
FIRE:    6 18:26:39        0.000000        0.011929
FIRE:    7 18:26:39        0.000000        0.011599
FIRE:    8 18:26:39        0.000000        0.010948
FIRE:    9 18:26:39        0.000000        0.009995
FIRE:   10 18:26:39        0.000000        0.008765
FIRE:   11 18:26:39        0.000000        0.007292
FIRE:   12 18:26:39        0.000000        0.005618
FIRE:   13 18:26:39        0.000000        0.004117
FIRE:   14 18:26:39        0.000000        0.002486
FIRE:   15 18:26:39        0.000000        0.000716
du_local [0.015933252574423094, 1.1041883401169208e-14]
du_global [0.035237659862066596, 1.7984116080292494e-14]
.Global seed for "test/forcefields/test_forceqmmm.py:test_forceqmmm" was: 2923
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_export_xyz0
.Global seed for "test/forcefields/test_forceqmmm.py:test_export_xyz" was: 3536
.Global seed for "test/forcefields/test_forceqmmm.py:test_set_masks_from_region" was: 1496
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_import_xyz0
.Global seed for "test/forcefields/test_forceqmmm.py:test_import_xyz" was: 890

forcefields/test_qmmm.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_qmmm0
               tip3p: 0.269 0.284 2.748 24.1
   tip3p-tip3p+tip3p: 0.269 0.284 2.748 24.1
   tip3p-tip3p+tip3p: 0.269 0.284 2.748 24.1
      tip3p+LJ+tip3p: 0.269 0.284 2.748 24.1
      tip3p+LJ+tip3p: 0.269 0.284 2.748 24.1
      tip3p+LJ+tip3p: 0.269 0.284 2.748 24.1
tip3p+LJ-general+tip3p: 0.269 0.284 2.748 24.1
tip3p+LJ-general+tip3p: 0.269 0.284 2.748 24.1
tip3p+LJ-general+tip3p: 0.269 0.284 2.748 24.1
           reference: 9.999 0.282 2.740 27.0
.Global seed for "test/forcefields/test_qmmm.py:test_qmmm" was: 7117

forcefields/test_qmmm_acn.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_qmmm_acn0
                      acn: 0.200 3.591 82.0
              acn-acn+acn: 0.200 3.591 82.0
              acn-acn+acn: 0.200 3.591 82.0
       acn+LJ-general+acn: 0.200 3.591 82.0
       acn+LJ-general+acn: 0.200 3.591 82.0
       acn+LJ-general+acn: 0.200 3.591 82.0
                reference: 0.212 3.368 79.1
.Global seed for "test/forcefields/test_qmmm_acn.py:test_qmmm_acn" was: 1356

forcefields/test_rattle.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rattle0
.Global seed for "test/forcefields/test_rattle.py:test_rattle" was: 2641

forcefields/test_rattle_linear.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_rattle_linear0
.Global seed for "test/forcefields/test_rattle_linear.py:test_rattle_linear" was: 10891

forcefields/test_tip4p.py [[-0.1882421   0.          0.00732781]
 [-0.01205091  0.         -0.01020988]
 [ 0.2515391   0.          0.00057548]
 [-0.50727973  0.         -0.00996955]
 [ 0.22801682  0.23940563  0.00613807]
 [ 0.22801682 -0.23940563  0.00613807]]
[[-1.77034898e-06  0.00000000e+00 -1.52494296e-08]
 [ 4.98714067e-09  0.00000000e+00  2.50521871e-09]
 [ 4.38288874e-07  0.00000000e+00  3.02587019e-10]
 [ 8.53379899e-07  0.00000000e+00 -2.17746237e-08]
 [ 2.06886079e-08 -8.74119326e-08  5.71923396e-09]
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.Global seed for "test/forcefields/test_tip4p.py:test_tip4p" was: 3434

forcefields/test_tipnp.py [[-0.33631511  0.          0.        ]
 [ 0.09594939  0.         -0.03965782]
 [ 0.47685712  0.          0.        ]
 [-0.40041748  0.          0.09367885]
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 [ 0.08196304 -0.03785059 -0.02701051]]
[[-1.93421874e-06  1.11022302e-13  0.00000000e+00]
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[[-0.36205337  0.         -0.02794473]
 [ 0.07935187  0.         -0.01949287]
 [ 0.4951439   0.          0.02406826]
 [-0.42616804  0.          0.05685851]
 [ 0.10686282  0.05157736 -0.01674459]
 [ 0.10686282 -0.05157736 -0.01674459]]
[[-1.68165255e-06  0.00000000e+00 -3.43797065e-08]
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.Global seed for "test/forcefields/test_tipnp.py:test_tipnp" was: 7144

forcefields/test_utils_ff_vdw.py .Global seed for "test/forcefields/test_utils_ff_vdw.py:test_utils_ff_vdw" was: 9648

ga/test_add_candidates.py .Global seed for "test/ga/test_add_candidates.py:test_add_candidates" was: 10533

ga/test_basic_example_main_run.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_basic_example_main_run_0_0
Relaxing starting candidate 2
Relaxing starting candidate 3
Relaxing starting candidate 4
Relaxing starting candidate 5
Relaxing starting candidate 6
Now starting configuration number 0
Now starting configuration number 1
Now starting configuration number 2
Now starting configuration number 3
Now starting configuration number 4
.Global seed for "test/ga/test_basic_example_main_run.py:test_basic_example_main_run" was: 8776

ga/test_bulk_operators.py .Global seed for "test/ga/test_bulk_operators.py:test_bulk_operators" was: 3049

ga/test_chain_operators.py .Global seed for "test/ga/test_chain_operators.py:test_chain_operators" was: 2173

ga/test_create_database.py .Global seed for "test/ga/test_create_database.py:test_create_database" was: 836

ga/test_cutandsplicepairing.py .Global seed for "test/ga/test_cutandsplicepairing.py:test_cutandsplicepairing" was: 10918

ga/test_database_logic.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_database_logic_0_0
.Global seed for "test/ga/test_database_logic.py:test_database_logic" was: 10984

ga/test_element_operators.py .Global seed for "test/ga/test_element_operators.py:test_element_operators" was: 9333

ga/test_film_operators.py .Global seed for "test/ga/test_film_operators.py:test_film_operators" was: 5998

ga/test_mutations.py .Global seed for "test/ga/test_mutations.py:test_mutations" was: 9073

ga/test_particle_comparators.py .Global seed for "test/ga/test_particle_comparators.py:test_particle_comparators" was: 1899

ga/test_particle_mutations.py .Global seed for "test/ga/test_particle_mutations.py:test_rich2poor_permutations" was: 7465

ga/test_particle_operators.py .Global seed for "test/ga/test_particle_operators.py:test_particle_operators" was: 1302

ga/test_slab_operators.py .Global seed for "test/ga/test_slab_operators.py:test_cut_splice" was: 7487
.Global seed for "test/ga/test_slab_operators.py:test_random_composition_mutation" was: 10866
.Global seed for "test/ga/test_slab_operators.py:test_random_element_mutation" was: 4669
.Global seed for "test/ga/test_slab_operators.py:test_neighborhood_element_mutation" was: 11369
.Global seed for "test/ga/test_slab_operators.py:test_random_permutation" was: 8504

ga/test_standardcomparator.py .Global seed for "test/ga/test_standardcomparator.py:test_standardcomparator" was: 8382

geometry/test_analysis.py .Global seed for "test/geometry/test_analysis.py:test_analysis_max_volume_estimate" was: 12327
.Global seed for "test/geometry/test_analysis.py:test_analysis_rdf" was: 7079
.Global seed for "test/geometry/test_analysis.py:test_analysis" was: 4477

geometry/test_dimensionality.py .Global seed for "test/geometry/test_dimensionality.py:test_mx2" was: 8854
.Global seed for "test/geometry/test_dimensionality.py:test_mx2" was: 8854
.Global seed for "test/geometry/test_dimensionality.py:test_fcc" was: 4901
.Global seed for "test/geometry/test_dimensionality.py:test_fcc" was: 4901
.Global seed for "test/geometry/test_dimensionality.py:test_isolation_0D" was: 12075
.Global seed for "test/geometry/test_dimensionality.py:test_isolation_0D" was: 12075
.Global seed for "test/geometry/test_dimensionality.py:test_isolation_1D" was: 7353
.Global seed for "test/geometry/test_dimensionality.py:test_isolation_2D" was: 2631
.Global seed for "test/geometry/test_dimensionality.py:test_isolation_3D" was: 10254

geometry/test_distance.py translation 3 -> distance 5.36049202688126e-16
translation 5 -> distance 3.784134553964483e-15
translation 7 -> distance 3.678530112594529e-15
translation 9 -> distance 2.2963440917537275e-15
rotation x , angle 20 -> distance 3.1981602130993582e-15
rotation x , angle 200 -> distance 3.4102104592221115e-15
rotation -y , angle 20 -> distance 2.7589935687123503e-15
rotation -y , angle 200 -> distance 2.654686959417583e-15
rotation z , angle 20 -> distance 2.1990054352746544e-15
rotation z , angle 200 -> distance 2.207222777003253e-15
rotation [0.57735027 0.57735027 0.57735027] , angle 20 -> distance 1.9714275608739575e-15
rotation [0.57735027 0.57735027 0.57735027] , angle 200 -> distance 1.0982127558964748e-14
permutation (0, 1, 2) -> distance 0.0
permutation (0, 2, 1) -> distance 7.711239250208415e-14
permutation (1, 0, 2) -> distance 0.0
permutation (1, 2, 0) -> distance 3.4960396736903814e-14
permutation (2, 0, 1) -> distance 7.711239250208415e-14
permutation (2, 1, 0) -> distance 1.534807572763335e-14
.Global seed for "test/geometry/test_distance.py:test_distance" was: 1947

geometry/test_geometry.py .Global seed for "test/geometry/test_geometry.py:test_geometry" was: 3876

geometry/test_geometry_derivatives.py .Global seed for "test/geometry/test_geometry_derivatives.py:test_atoms_angle" was: 11487

geometry/test_geometry_rdf.py .Global seed for "test/geometry/test_geometry_rdf.py:test_rdf_providing_volume_argument" was: 11952
.Global seed for "test/geometry/test_geometry_rdf.py:test_rdf_volume_not_defined_exception" was: 10892
.Global seed for "test/geometry/test_geometry_rdf.py:test_rdf_cell_too_small_exception" was: 5367
.Global seed for "test/geometry/test_geometry_rdf.py:test_rdf_compute" was: 8726

gui/test_run.py sGlobal seed for "test/gui/test_run.py:test_about" was: 6567
sGlobal seed for "test/gui/test_run.py:test_helpwindow" was: 4428
sGlobal seed for "test/gui/test_run.py:test_nanotube" was: 2110
sGlobal seed for "test/gui/test_run.py:test_nanoparticle" was: 3430
sGlobal seed for "test/gui/test_run.py:test_color" was: 7060
sGlobal seed for "test/gui/test_run.py:test_settings" was: 4184
sGlobal seed for "test/gui/test_run.py:test_rotate" was: 10367
sGlobal seed for "test/gui/test_run.py:test_open_and_save" was: 2217
sGlobal seed for "test/gui/test_run.py:test_export_graphics" was: 1230
sGlobal seed for "test/gui/test_run.py:test_export_graphics" was: 1230
sGlobal seed for "test/gui/test_run.py:test_export_graphics" was: 1230
sGlobal seed for "test/gui/test_run.py:test_export_graphics" was: 1230
sGlobal seed for "test/gui/test_run.py:test_export_graphics" was: 1230
sGlobal seed for "test/gui/test_run.py:test_export_graphics" was: 1230
sGlobal seed for "test/gui/test_run.py:test_fracocc" was: 402
sGlobal seed for "test/gui/test_run.py:test_povray" was: 9799
sGlobal seed for "test/gui/test_run.py:test_select_atoms" was: 6103
sGlobal seed for "test/gui/test_run.py:test_modify_element" was: 1802
sGlobal seed for "test/gui/test_run.py:test_modify_tag" was: 7557
sGlobal seed for "test/gui/test_run.py:test_modify_magmom" was: 1553
sGlobal seed for "test/gui/test_run.py:test_repeat" was: 841
sGlobal seed for "test/gui/test_run.py:test_surface" was: 3457
sGlobal seed for "test/gui/test_run.py:test_movie" was: 6801
sGlobal seed for "test/gui/test_run.py:test_reciprocal" was: 848
sGlobal seed for "test/gui/test_run.py:test_bad_reciprocal" was: 684
sGlobal seed for "test/gui/test_run.py:test_add_atoms" was: 1834
sGlobal seed for "test/gui/test_run.py:test_cell_editor" was: 6912
sGlobal seed for "test/gui/test_run.py:test_constrain" was: 5034
sGlobal seed for "test/gui/test_run.py:test_quickinfo" was: 2127
sGlobal seed for "test/gui/test_run.py:test_quickinfo" was: 2127
sGlobal seed for "test/gui/test_run.py:test_quickinfo" was: 2127
sGlobal seed for "test/gui/test_run.py:test_quickinfo" was: 2127
sGlobal seed for "test/gui/test_run.py:test_clipboard_copy" was: 8536
sGlobal seed for "test/gui/test_run.py:test_clipboard_cut_paste" was: 1477
sGlobal seed for "test/gui/test_run.py:test_clipboard_paste_onto_empty" was: 790
sGlobal seed for "test/gui/test_run.py:test_clipboard_paste_onto_existing" was: 6626
sGlobal seed for "test/gui/test_run.py:test_clipboard_paste_invalid" was: 7013
sGlobal seed for "test/gui/test_run.py:test_clipboard_paste_invalid" was: 7013
sGlobal seed for "test/gui/test_run.py:test_clipboard_paste_invalid" was: 7013
sGlobal seed for "test/gui/test_run.py:test_callbacks" was: 4884

lammpsdata/test_lammpsdata_read.py .Global seed for "test/lammpsdata/test_lammpsdata_read.py:test_lammpsdata_read" was: 10439

lammpsdata/test_lammpsdata_write.py .Global seed for "test/lammpsdata/test_lammpsdata_write.py:test_lammpsdata_write" was: 12265

lammpsdata/test_read_connectivity.py .Global seed for "test/lammpsdata/test_read_connectivity.py:test_positions" was: 7143
.Global seed for "test/lammpsdata/test_read_connectivity.py:test_positions" was: 7143
.Global seed for "test/lammpsdata/test_read_connectivity.py:test_cell" was: 2483
.Global seed for "test/lammpsdata/test_read_connectivity.py:test_cell" was: 2483
.Global seed for "test/lammpsdata/test_read_connectivity.py:test_connectivity" was: 7708
.Global seed for "test/lammpsdata/test_read_connectivity.py:test_connectivity" was: 7708

lammpsdata/test_write_and_read.py .Global seed for "test/lammpsdata/test_write_and_read.py:test_bcc" was: 2221
.Global seed for "test/lammpsdata/test_write_and_read.py:test_bcc" was: 2221
.Global seed for "test/lammpsdata/test_write_and_read.py:test_bcc" was: 2221
.Global seed for "test/lammpsdata/test_write_and_read.py:test_bcc" was: 2221
.Global seed for "test/lammpsdata/test_write_and_read.py:test_fcc" was: 10922
.Global seed for "test/lammpsdata/test_write_and_read.py:test_fcc" was: 10922
.Global seed for "test/lammpsdata/test_write_and_read.py:test_fcc" was: 10922
.Global seed for "test/lammpsdata/test_write_and_read.py:test_fcc" was: 10922
.Global seed for "test/lammpsdata/test_write_and_read.py:test_rocksalt" was: 8496
.Global seed for "test/lammpsdata/test_write_and_read.py:test_rocksalt" was: 8496
.Global seed for "test/lammpsdata/test_write_and_read.py:test_rocksalt" was: 8496
.Global seed for "test/lammpsdata/test_write_and_read.py:test_rocksalt" was: 8496
.Global seed for "test/lammpsdata/test_write_and_read.py:test_fluorite" was: 7005
.Global seed for "test/lammpsdata/test_write_and_read.py:test_fluorite" was: 7005
.Global seed for "test/lammpsdata/test_write_and_read.py:test_fluorite" was: 7005
.Global seed for "test/lammpsdata/test_write_and_read.py:test_fluorite" was: 7005
.Global seed for "test/lammpsdata/test_write_and_read.py:test_hcp" was: 9276
.Global seed for "test/lammpsdata/test_write_and_read.py:test_hcp" was: 9276
.Global seed for "test/lammpsdata/test_write_and_read.py:test_hcp" was: 9276
.Global seed for "test/lammpsdata/test_write_and_read.py:test_hcp" was: 9276
.Global seed for "test/lammpsdata/test_write_and_read.py:test_atom_style" was: 8411
.Global seed for "test/lammpsdata/test_write_and_read.py:test_atom_style" was: 8411
.Global seed for "test/lammpsdata/test_write_and_read.py:test_atom_style" was: 8411
.Global seed for "test/lammpsdata/test_write_and_read.py:test_image_flags" was: 7601
.Global seed for "test/lammpsdata/test_write_and_read.py:test_image_flags" was: 7601
.Global seed for "test/lammpsdata/test_write_and_read.py:test_image_flags" was: 7601
.Global seed for "test/lammpsdata/test_write_and_read.py:test_image_flags" was: 7601
.Global seed for "test/lammpsdata/test_write_and_read.py:test_image_flags" was: 7601
.Global seed for "test/lammpsdata/test_write_and_read.py:test_image_flags" was: 7601
.Global seed for "test/lammpsdata/test_write_and_read.py:test_bonds" was: 4942

md/test_CO2linear_Au111_langevin.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_CO2linear_Au111_langevin0
.Global seed for "test/md/test_CO2linear_Au111_langevin.py:test_CO2linear_Au111_langevin" was: 3420

md/test_ce_curvature.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_curvature10
Target Radius (1/curvature)  2.500000 Ang
Radius (1/curvature)  2.498397 Ang
Radius (1/curvature)  2.498380 Ang
Radius (1/curvature)  2.498380 Ang
Radius (1/curvature)  2.498380 Ang
Radius (1/curvature)  2.498380 Ang
.Global seed for "test/md/test_ce_curvature.py:test_curvature1" was: 2533
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_curvature20
Target Radius (1/curvature)  1.767767 Ang
Radius (1/curvature)  1.766633 Ang
Radius (1/curvature)  1.766622 Ang
Radius (1/curvature)  1.766622 Ang
Radius (1/curvature)  1.766622 Ang
Radius (1/curvature)  1.766622 Ang
.Global seed for "test/md/test_ce_curvature.py:test_curvature2" was: 6345

md/test_ce_logging.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_logging0
.Global seed for "test/md/test_ce_logging.py:test_logging" was: 4938

md/test_ce_potentiostat.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_potentiostat0
Energy Above Ground State:  0.1764 eV/atom
Potentiostat Error -0.0027 eV/atom
Potentiostat Error -0.0008 eV/atom
Potentiostat Error -0.0029 eV/atom
Potentiostat Error -0.0006 eV/atom
Potentiostat Error -0.0008 eV/atom
.Global seed for "test/md/test_ce_potentiostat.py:test_potentiostat" was: 1101
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_potentiostat_no_fs0
Potentiostat Error  0.0021 eV/atom
Potentiostat Error  0.0030 eV/atom
Potentiostat Error  0.0029 eV/atom
Potentiostat Error  0.0028 eV/atom
Potentiostat Error  0.0028 eV/atom
.Global seed for "test/md/test_ce_potentiostat.py:test_potentiostat_no_fs" was: 9593

md/test_fixrotation.py s
md/test_idealgas.py Temperature: 999.4926729965202 K
pV = 86.12958532839237  NkT = 86.12958532839238
pV = 86.12958532839237  NkT = 86.12958532839238
pV = 86.12958532839237  NkT = 86.12958532839238
pV = 86.12958532839237  NkT = 86.12958532839238
pV = 86.12958532839237  NkT = 86.12958532839238
.Global seed for "test/md/test_idealgas.py:test_idealgas" was: 9422

md/test_langevin_asapcompat.py .Global seed for "test/md/test_langevin_asapcompat.py:test_langevin_asapcompat" was: 1808

md/test_langevin_com.py initial momenta [-3.33066907e-16 -1.44328993e-15 -3.10862447e-15]
initial forces [ 1.95399252e-14 -2.48689958e-14 -5.15143483e-14]
momenta [1.60437774e-10 7.93632937e-11 4.02045730e-10]
forces [-1.42108547e-14  3.55271368e-14  1.95399252e-14]

.Global seed for "test/md/test_langevin_com.py:test_langevin_com" was: 7973

md/test_langevin_switching.py .Global seed for "test/md/test_langevin_switching.py:test_langevin_switching" was: 5418

md/test_maxwellboltzmann.py Number of atoms: 500000
Temperature 0.09983830118346945  (should be 0.1)
.Global seed for "test/md/test_maxwellboltzmann.py:test_maxwellboltzmann" was: 10166

md/test_md.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_md0
0.020850809458423214 0.11928187607209804
0.020871985261672776 0.11928187755058553
0.02093548849483895 0.11928188198471533
0.02104124665141427 0.11928188937040111
0.02118913896509156 0.11928189970091543
0.021378996526449257 0.1192819129667922
0.02161060244658941 0.11928192915577068
0.021883692068069394 0.11928194825292775
0.02219795322283069 0.1192819702404555
0.022553026538178145 0.11928199509784418
0.02294850579034957 0.11928202280167302
0.023383938306748675 0.11928205332570435
0.023858825416709806 0.11928208664074032
0.02437262295165965 0.11928212271466843
0.024924741794841054 0.11928216151240177
0.025514548481174515 0.11928220299581622
0.02614136584775295 0.11928224712370036
0.026804473735468903 0.11928229385173975
0.027503109742205822 0.1192823431324984
0.028236470027994898 0.11928239491535259
0.029003710172602837 0.11928244914642112
.Global seed for "test/md/test_md.py:test_md" was: 8530
.Global seed for "test/md/test_md.py:test_run_twice" was: 2454

md/test_md_logger.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimizer_FIRE_0
.Global seed for "test/md/test_md_logger.py:test_optimizer" was: 2342
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimizer_BFGS_0
.Global seed for "test/md/test_md_logger.py:test_optimizer" was: 2342
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_md_cls_and_kwargs0_0
.Global seed for "test/md/test_md_logger.py:test_md" was: 6528
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_md_cls_and_kwargs1_0
.Global seed for "test/md/test_md_logger.py:test_md" was: 6528

md/test_md_logger_interval.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimization_log_and_traj0
Testing <class 'ase.optimize.fire.FIRE'>
Number of lines in log file: 11
Number of frames in trajectory: 10
.Global seed for "test/md/test_md_logger_interval.py:test_optimization_log_and_trajectory_length" was: 11084
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimization_log_and_traj1
Testing <class 'ase.optimize.bfgs.BFGS'>
Number of lines in log file: 6
Number of frames in trajectory: 5
.Global seed for "test/md/test_md_logger_interval.py:test_optimization_log_and_trajectory_length" was: 11084
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_md_log_and_trajectory_len0
Testing <class 'ase.md.verlet.VelocityVerlet'>
Number of lines in log file: 12
Number of frames in trajectory: 11
.Global seed for "test/md/test_md_logger_interval.py:test_md_log_and_trajectory_length" was: 10494
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_md_log_and_trajectory_len1
Testing <class 'ase.md.verlet.VelocityVerlet'>
Number of lines in log file: 7
Number of frames in trajectory: 6
.Global seed for "test/md/test_md_logger_interval.py:test_md_log_and_trajectory_length" was: 10494
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_md_log_and_trajectory_len2
Testing <class 'ase.md.langevin.Langevin'>
Number of lines in log file: 12
Number of frames in trajectory: 11
.Global seed for "test/md/test_md_logger_interval.py:test_md_log_and_trajectory_length" was: 10494
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_md_log_and_trajectory_len3
Testing <class 'ase.md.langevin.Langevin'>
Number of lines in log file: 7
Number of frames in trajectory: 6
.Global seed for "test/md/test_md_logger_interval.py:test_md_log_and_trajectory_length" was: 10494

md/test_nvt_npt.py sss
md/test_phonon_md_init.py s
md/test_velocity_distribution.py .Global seed for "test/md/test_velocity_distribution.py:test_stationary" was: 10404
.Global seed for "test/md/test_velocity_distribution.py:test_stationary_propagate" was: 4351
.Global seed for "test/md/test_velocity_distribution.py:test_zero_rotation" was: 159

md/test_verlet_thermostats_asap.py s
neb/test_COCu111.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_COCu1110
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:26:50        2.863208       0.1156
BFGSLineSearch:    1[  2] 18:26:50        2.857243       0.0038
2.0523156970875296
-2.052315697087531
2.052315697087531
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:26:50        3.160652       3.0966
BFGSLineSearch:    1[  1] 18:26:50        2.847655       0.9458
BFGSLineSearch:    2[  2] 18:26:50        2.748030       0.2746
BFGSLineSearch:    3[  3] 18:26:50        2.736343       0.0914
BFGSLineSearch:    4[  4] 18:26:50        2.733960       0.0664
BFGSLineSearch:    5[  5] 18:26:50        2.733130       0.0347
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:26:50        2.849879       0.7967
BFGSLineSearch:    1[  1] 18:26:50        2.784380       0.4619
BFGSLineSearch:    2[  2] 18:26:50        2.755185       0.2113
BFGSLineSearch:    3[  4] 18:26:50        2.744543       0.1404
BFGSLineSearch:    4[  5] 18:26:50        2.740011       0.0842
BFGSLineSearch:    5[  6] 18:26:50        2.737246       0.0633
BFGSLineSearch:    6[  7] 18:26:50        2.736108       0.0371
[1.27279221 0.78505659 1.63323901] 2.7331298637677977
[1.61266146 0.99061032 1.64420544] 2.78320899873931
[1.9535841  1.17688499 1.64961274] 2.827595522548026
[2.27715402 1.33434644 1.64330453] 2.7865929128429037
[2.58942558 1.49443748 1.63150671] 2.7361078607324454
      Step     Time          Energy          fmax
BFGS:    0 18:26:50        2.827596        0.558732
BFGS:    1 18:26:50        2.816567        0.422399
BFGS:    2 18:26:50        2.801912        0.140628
BFGS:    3 18:26:50        2.800882        0.159236
BFGS:    4 18:26:50        2.797129        0.162167
BFGS:    5 18:26:50        2.795089        0.115157
BFGS:    6 18:26:50        2.794057        0.103821
BFGS:    7 18:26:50        2.793502        0.104998
BFGS:    8 18:26:50        2.792604        0.097571
[1.27279221 0.78505659 1.63323901] 2.7331298637677977
[1.64932744 1.02830391 1.65975999] 2.764225536814461
[2.0018163  1.21766499 1.67455452] 2.7926036900871067
[2.31055714 1.36409775 1.65659033] 2.7697923563028475
[2.58942558 1.49443748 1.63150671] 2.7361078607324454
type optimization
optimizer BFGS
maxstep 0.04
alpha 70.0
max_steps 0
interval 1
3.23.0
.Global seed for "test/neb/test_COCu111.py:test_COCu111" was: 556

neb/test_COCu111_2.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_COCu111_20
      Step     Time          Energy          fmax
BFGS:    0 18:26:50        2.808888        0.077473
BFGS:    1 18:26:50        2.808490        0.070575
BFGS:    2 18:26:50        2.807016        0.039726
      Step     Time          Energy          fmax
BFGS:    0 18:26:50        3.144034        3.260862
BFGS:    1 18:26:50        2.920974        2.064995
BFGS:    2 18:26:50        2.757101        0.702733
BFGS:    3 18:26:50        2.730038        0.439693
BFGS:    4 18:26:50        2.714941        0.385648
BFGS:    5 18:26:50        2.702060        0.305828
BFGS:    6 18:26:50        2.693236        0.197296
BFGS:    7 18:26:50        2.688983        0.132181
BFGS:    8 18:26:50        2.686799        0.105260
BFGS:    9 18:26:50        2.685342        0.103780
BFGS:   10 18:26:50        2.683570        0.076753
BFGS:   11 18:26:50        2.682427        0.054233
BFGS:   12 18:26:50        2.682012        0.044916
      Step     Time          Energy          fmax
BFGS:    0 18:26:50        2.801222        0.819260
BFGS:    1 18:26:50        2.787870        0.772946
BFGS:    2 18:26:50        2.724240        0.393220
BFGS:    3 18:26:50        2.717507        0.264133
BFGS:    4 18:26:50        2.710423        0.266375
BFGS:    5 18:26:50        2.699524        0.185841
BFGS:    6 18:26:50        2.696739        0.174236
BFGS:    7 18:26:50        2.694793        0.174722
BFGS:    8 18:26:50        2.692594        0.138420
BFGS:    9 18:26:50        2.690698        0.085133
      Step     Time          Energy          fmax
BFGS:    0 18:26:50        2.824686        1.134043
BFGS:    1 18:26:50        2.787071        0.814497
BFGS:    2 18:26:50        2.746357        0.188307
BFGS:    3 18:26:50        2.743757        0.158623
BFGS:    4 18:26:50        2.740252        0.174902
BFGS:    5 18:26:50        2.737251        0.153714
BFGS:    6 18:26:50        2.735611        0.124265
BFGS:    7 18:26:50        2.734940        0.090454
      Step     Time          Energy          fmax
BFGS:    0 18:26:50        2.824686        1.134043
BFGS:    1 18:26:50        2.787071        0.814497
BFGS:    2 18:26:50        2.746357        0.188307
BFGS:    3 18:26:50        2.743757        0.158623
BFGS:    4 18:26:50        2.740252        0.174902
BFGS:    5 18:26:50        2.737251        0.153714
BFGS:    6 18:26:50        2.735611        0.124265
BFGS:    7 18:26:50        2.734940        0.090454
      Step     Time          Energy          fmax
BFGS:    0 18:26:50        2.734940        0.090454
.Global seed for "test/neb/test_COCu111_2.py:test_COCu111_2" was: 6907

neb/test_autoneb.py sTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_Au2Ag0
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:26:50        7.500846      17.0739
BFGSLineSearch:    1[  1] 18:26:50        5.599805       3.6678
BFGSLineSearch:    2[  2] 18:26:50        5.459765       1.5347
BFGSLineSearch:    3[  3] 18:26:50        5.424592       0.2893
BFGSLineSearch:    4[  4] 18:26:50        5.423137       0.0308
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:26:50        8.548002      15.7932
BFGSLineSearch:    1[  1] 18:26:50        6.652056       4.5116
BFGSLineSearch:    2[  2] 18:26:50        6.401601       1.8888
BFGSLineSearch:    3[  3] 18:26:50        6.335529       0.4626
BFGSLineSearch:    4[  4] 18:26:50        6.330600       0.0703
BFGSLineSearch:    5[  5] 18:26:50        6.330477       0.0033
The NEB initially has 3 images  (including the end-points)
Start of evaluation of the initial images
Finished initialisation phase.
****Now adding another image until n_max is reached (3/5)****
Adding image between 0 and 1. New image point is selected on the basis of the biggest spring length!
Now starting iteration 1 on  [0, 1, 2]
****Now adding another image until n_max is reached (4/5)****
Adding image between 2 and 3. New image point is selected on the basis of the biggest spring length!
Now starting iteration 2 on  [2, 3, 4]
n_max images has been reached
****Now doing the CI-NEB calculation****
Now starting iteration 3 on  [1, 2, 3]
.Global seed for "test/neb/test_autoneb.py:test_Au2Ag" was: 3146

neb/test_dynamic_neb.py       Step     Time          Energy          fmax
BFGS:    0 18:26:50        5.430131        8.226358
BFGS:    1 18:26:50        4.129061        3.499373
BFGS:    2 18:26:50        3.793917        1.301403
BFGS:    3 18:26:50        3.728890        0.452621
BFGS:    4 18:26:50        3.705676        0.430556
BFGS:    5 18:26:50        3.685268        0.446915
BFGS:    6 18:26:50        3.668557        0.344173
BFGS:    7 18:26:50        3.656050        0.217417
BFGS:    8 18:26:50        3.649260        0.197199
BFGS:    9 18:26:50        3.644477        0.248657
BFGS:   10 18:26:50        3.640056        0.201059
BFGS:   11 18:26:50        3.637888        0.113985
BFGS:   12 18:26:50        3.636490        0.106907
BFGS:   13 18:26:50        3.635123        0.104595
BFGS:   14 18:26:50        3.634156        0.069438
BFGS:   15 18:26:50        3.633755        0.045358
BFGS:   16 18:26:50        3.633621        0.040348
BFGS:   17 18:26:50        3.633527        0.027379
      Step     Time          Energy          fmax
BFGS:    0 18:26:50        3.647561        0.332896
BFGS:    1 18:26:50        3.644896        0.232146
BFGS:    2 18:26:50        3.642212        0.090379
BFGS:    3 18:26:50        3.641914        0.092500
BFGS:    4 18:26:50        3.640788        0.108465
BFGS:    5 18:26:50        3.640091        0.097703
BFGS:    6 18:26:50        3.639418        0.069443
BFGS:    7 18:26:50        3.638811        0.075003
BFGS:    8 18:26:50        3.638061        0.084100
BFGS:    9 18:26:50        3.637388        0.078000
BFGS:   10 18:26:50        3.636867        0.061361
BFGS:   11 18:26:50        3.636434        0.058159
BFGS:   12 18:26:50        3.635914        0.076590
BFGS:   13 18:26:50        3.635385        0.072095
BFGS:   14 18:26:50        3.634989        0.049298
BFGS:   15 18:26:50        3.634735        0.039468
BFGS:   16 18:26:50        3.634564        0.030292
BFGS:   17 18:26:50        3.634413        0.037596
BFGS:   18 18:26:50        3.634225        0.039701
BFGS:   19 18:26:50        3.634071        0.026693
      Step     Time          Energy          fmax
BFGS:    0 18:26:50        6.026625       16.098570
BFGS:    1 18:26:51        3.963569        2.583570
BFGS:    2 18:26:51        3.877509        1.339768
BFGS:    3 18:26:51        3.836613        0.692830
BFGS:    4 18:26:51        3.826481        0.701404
BFGS:    5 18:26:51        3.812764        0.402888
BFGS:    6 18:26:51        3.805637        0.220666
BFGS:    7 18:26:51        3.800736        0.204558
BFGS:    8 18:26:51        3.796921        0.254249
BFGS:    9 18:26:51        3.793902        0.188319
BFGS:   10 18:26:51        3.792502        0.097863
BFGS:   11 18:26:51        3.791881        0.076493
BFGS:   12 18:26:51        3.791244        0.106637
BFGS:   13 18:26:51        3.790531        0.086397
BFGS:   14 18:26:51        3.790102        0.081812
BFGS:   15 18:26:51        3.789948        0.041936
BFGS:   16 18:26:51        3.789819        0.045684
BFGS:   17 18:26:51        3.789656        0.054138
BFGS:   18 18:26:51        3.789524        0.068009
BFGS:   19 18:26:51        3.789472        0.052632
BFGS:   20 18:26:51        3.789448        0.044241
BFGS:   21 18:26:51        3.789392        0.043769
BFGS:   22 18:26:51        3.789350        0.055703
BFGS:   23 18:26:51        3.789391        0.049441
BFGS:   24 18:26:51        3.789458        0.038027
BFGS:   25 18:26:51        3.789474        0.030396
BFGS:   26 18:26:51        3.789443        0.049752
BFGS:   27 18:26:51        3.789425        0.068301
BFGS:   28 18:26:51        3.789513        0.064221
BFGS:   29 18:26:51        3.789673        0.046720
BFGS:   30 18:26:51        3.789751        0.030527
BFGS:   31 18:26:51        3.789744        0.037940
BFGS:   32 18:26:51        3.789717        0.050115
BFGS:   33 18:26:51        3.789714        0.059198
BFGS:   34 18:26:51        3.789718        0.051457
BFGS:   35 18:26:51        3.789664        0.036604
BFGS:   36 18:26:51        3.789569        0.033839
BFGS:   37 18:26:52        3.789475        0.050770
BFGS:   38 18:26:52        3.789398        0.058515
BFGS:   39 18:26:52        3.789324        0.039623
BFGS:   40 18:26:52        3.789250        0.026256
      Step     Time          Energy          fmax
BFGS:    0 18:26:52        6.026625       16.098570
BFGS:    1 18:26:52        3.963569        2.583570
BFGS:    2 18:26:52        3.877509        1.339768
BFGS:    3 18:26:52        3.836613        0.692830
BFGS:    4 18:26:52        3.826481        0.701404
BFGS:    5 18:26:52        3.812764        0.402888
BFGS:    6 18:26:52        3.805637        0.220666
BFGS:    7 18:26:52        3.800736        0.204558
BFGS:    8 18:26:52        3.796921        0.254249
BFGS:    9 18:26:52        3.793902        0.188319
BFGS:   10 18:26:52        3.792502        0.097863
BFGS:   11 18:26:52        3.791881        0.076493
BFGS:   12 18:26:52        3.791244        0.106637
BFGS:   13 18:26:52        3.790531        0.086397
BFGS:   14 18:26:52        3.790102        0.081812
BFGS:   15 18:26:52        3.789937        0.042903
BFGS:   16 18:26:52        3.789781        0.036401
BFGS:   17 18:26:52        3.789680        0.021867
      Step     Time          Energy          fmax
BFGS:    0 18:26:52        6.026625       16.098570
BFGS:    1 18:26:52        3.963569        2.583570
BFGS:    2 18:26:52        3.877509        1.339768
BFGS:    3 18:26:53        3.836613        0.692830
BFGS:    4 18:26:53        3.826527        0.689648
BFGS:    5 18:26:53        3.811958        0.372795
BFGS:    6 18:26:53        3.805668        0.223175
BFGS:    7 18:26:53        3.801007        0.196374
BFGS:    8 18:26:53        3.795769        0.253390
BFGS:    9 18:26:53        3.793856        0.184892
BFGS:   10 18:26:53        3.792474        0.067715
BFGS:   11 18:26:53        3.791858        0.056460
BFGS:   12 18:26:53        3.790997        0.106243
BFGS:   13 18:26:53        3.790519        0.090121
BFGS:   14 18:26:53        3.790091        0.040442
BFGS:   15 18:26:53        3.789901        0.030831
BFGS:   16 18:26:53        3.789734        0.043565
BFGS:   17 18:26:53        3.789605        0.033450
BFGS:   18 18:26:53        3.789505        0.019797

# Force calls with default NEB: 287
# Force calls with dynamic NEB: 115
# Force calls with dynamic and scaled NEB: 62

.Global seed for "test/neb/test_dynamic_neb.py:test_dynamic_neb" was: 10057

neb/test_idpp.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_idpp0
1.764885904058673 0.8824429520293364 1.7420634098391965
.Global seed for "test/neb/test_idpp.py:test_idpp" was: 2842

neb/test_interpolate_images.py .Global seed for "test/neb/test_interpolate_images.py:test_interpolate_images_default" was: 4898
.Global seed for "test/neb/test_interpolate_images.py:test_interpolate_images_fixed" was: 4801
.Global seed for "test/neb/test_interpolate_images.py:test_interpolate_images_scaled_coord" was: 6368
.Global seed for "test/neb/test_interpolate_images.py:test_interpolate_images_cell" was: 1458
.Global seed for "test/neb/test_interpolate_images.py:test_interpolate_images_cell_default_interpolate_cell_scaled_coord" was: 143

neb/test_neb_tr.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_neb_tr0
      Step     Time          Energy          fmax
FIRE:    0 18:26:53       -4.354267        4.471720
FIRE:    1 18:26:53       -4.355388        4.439198
FIRE:    2 18:26:53       -4.357597        4.374761
FIRE:    3 18:26:53       -4.360834        4.279602
FIRE:    4 18:26:53       -4.365011        4.155459
FIRE:    5 18:26:53       -4.370014        4.004550
FIRE:    6 18:26:53       -4.375714        3.829496
FIRE:    7 18:26:53       -4.381964        3.633228
FIRE:    8 18:26:53       -4.389333        3.395242
FIRE:    9 18:26:53       -4.397784        3.111973
FIRE:   10 18:26:53       -4.407167        2.781386
FIRE:   11 18:26:53       -4.417186        2.403753
FIRE:   12 18:26:53       -4.427364        1.982436
FIRE:   13 18:26:53       -4.437038        1.524557
FIRE:   14 18:26:53       -4.445371        1.041425
FIRE:   15 18:26:53       -4.451424        0.549008
FIRE:   16 18:26:53       -4.454282        0.236016
FIRE:   17 18:26:53       -4.453395        0.378232
FIRE:   18 18:26:53       -4.453407        0.376295
FIRE:   19 18:26:53       -4.453432        0.372429
FIRE:   20 18:26:53       -4.453468        0.366645
      Step     Time          Energy          fmax
FIRE:    0 18:26:53       -4.453468        0.376194
FIRE:    1 18:26:53       -4.453474        0.375093
FIRE:    2 18:26:53       -4.453487        0.372893
FIRE:    3 18:26:53       -4.453505        0.369599
FIRE:    4 18:26:53       -4.453530        0.365221
FIRE:    5 18:26:53       -4.453560        0.359770
FIRE:    6 18:26:53       -4.453595        0.353259
FIRE:    7 18:26:53       -4.453635        0.345706
FIRE:    8 18:26:53       -4.453684        0.336163
FIRE:    9 18:26:53       -4.453743        0.324212
FIRE:   10 18:26:53       -4.453811        0.309371
FIRE:   11 18:26:53       -4.453890        0.291100
FIRE:   12 18:26:53       -4.453977        0.268823
FIRE:   13 18:26:53       -4.454070        0.241980
FIRE:   14 18:26:53       -4.454161        0.210169
FIRE:   15 18:26:53       -4.454241        0.173518
FIRE:   16 18:26:53       -4.454296        0.133806
FIRE:   17 18:26:53       -4.454305        0.098332
FIRE:   18 18:26:53       -4.454248        0.087812
FIRE:   19 18:26:53       -4.454115        0.114675
FIRE:   20 18:26:53       -4.453918        0.156768
FIRE:   21 18:26:53       -4.453919        0.155670
FIRE:   22 18:26:53       -4.453919        0.153494
FIRE:   23 18:26:53       -4.453919        0.150289
FIRE:   24 18:26:53       -4.453919        0.146124
FIRE:   25 18:26:53       -4.453919        0.141096
FIRE:   26 18:26:53       -4.453917        0.135331
FIRE:   27 18:26:53       -4.453913        0.128985
FIRE:   28 18:26:53       -4.453907        0.121516
FIRE:   29 18:26:53       -4.453895        0.113064
FIRE:   30 18:26:53       -4.453877        0.104034
FIRE:   31 18:26:53       -4.453849        0.095254
FIRE:   32 18:26:53       -4.453806        0.088072
FIRE:   33 18:26:53       -4.453746        0.084127
FIRE:   34 18:26:53       -4.453665        0.084394
FIRE:   35 18:26:53       -4.453562        0.088195
FIRE:   36 18:26:53       -4.453437        0.092972
FIRE:   37 18:26:53       -4.453293        0.095745
FIRE:   38 18:26:53       -4.453130        0.094120
FIRE:   39 18:26:54       -4.452944        0.087360
FIRE:   40 18:26:54       -4.452727        0.078120
FIRE:   41 18:26:54       -4.452462        0.073677
FIRE:   42 18:26:54       -4.452143        0.078387
FIRE:   43 18:26:54       -4.451776        0.083306
FIRE:   44 18:26:54       -4.451375        0.076899
FIRE:   45 18:26:54       -4.450934        0.061722
FIRE:   46 18:26:54       -4.450430        0.060955
FIRE:   47 18:26:54       -4.449891        0.063206
FIRE:   48 18:26:54       -4.449356        0.043997
FIRE:   49 18:26:54       -4.448817        0.048606
FIRE:   50 18:26:54       -4.448348        0.033364
FIRE:   51 18:26:54       -4.447969        0.045226
FIRE:   52 18:26:54       -4.447776        0.043438
FIRE:   53 18:26:54       -4.447768        0.050968
FIRE:   54 18:26:54       -4.447961        0.064330
FIRE:   55 18:26:54       -4.448264        0.094614
FIRE:   56 18:26:54       -4.448656        0.113787
FIRE:   57 18:26:54       -4.449066        0.170153
FIRE:   58 18:26:54       -4.449501        0.227901
FIRE:   59 18:26:54       -4.449947        0.310335
FIRE:   60 18:26:54       -4.450484        0.406749
FIRE:   61 18:26:54       -4.451218        0.529519
FIRE:   62 18:26:54       -4.452282        0.636329
FIRE:   63 18:26:54       -4.453621        0.681666
FIRE:   64 18:26:54       -4.455351        0.668166
FIRE:   65 18:26:54       -4.457699        0.587990
FIRE:   66 18:26:54       -4.461184        0.533829
FIRE:   67 18:26:54       -4.467103        0.739692
FIRE:   68 18:26:54       -4.467843        0.705730
FIRE:   69 18:26:54       -4.469401        0.710295
FIRE:   70 18:26:54       -4.471949        0.650975
FIRE:   71 18:26:54       -4.475712        0.464399
FIRE:   72 18:26:54       -4.481095        0.396757
FIRE:   73 18:26:54       -4.488926        0.448270
FIRE:   74 18:26:54       -4.499873        0.516236
FIRE:   75 18:26:54       -4.516519        0.612835
FIRE:   76 18:26:54       -4.542668        0.746118
FIRE:   77 18:26:54       -4.585266        0.934572
FIRE:   78 18:26:54       -4.657704        1.204825
FIRE:   79 18:26:54       -4.765121        1.480576
FIRE:   80 18:26:54       -4.888079        1.518363
FIRE:   81 18:26:54       -4.999388        0.961490
FIRE:   82 18:26:54       -5.027194        1.492311
FIRE:   83 18:26:54       -5.036768        0.764773
FIRE:   84 18:26:54       -5.039908        0.228732
FIRE:   85 18:26:54       -5.040010        0.211049
FIRE:   86 18:26:54       -5.040176        0.177168
FIRE:   87 18:26:54       -5.040345        0.130049
FIRE:   88 18:26:54       -5.040456        0.074206
FIRE:   89 18:26:54       -5.040480        0.072639
FIRE:   90 18:26:54       -5.040444        0.118257
FIRE:   91 18:26:54       -5.040449        0.115348
FIRE:   92 18:26:54       -5.040458        0.109611
FIRE:   93 18:26:54       -5.040470        0.101209
FIRE:   94 18:26:54       -5.040484        0.090382
FIRE:   95 18:26:54       -5.040498        0.077443
FIRE:   96 18:26:54       -5.040512        0.062775
FIRE:   97 18:26:54       -5.040524        0.046834
FIRE:   98 18:26:54       -5.040533        0.028406
FIRE:   99 18:26:54       -5.040537        0.017743
FIRE:  100 18:26:54       -5.040537        0.025299
FIRE:  101 18:26:54       -5.040532        0.030336
FIRE:  102 18:26:54       -5.040533        0.029988
FIRE:  103 18:26:54       -5.040533        0.029297
FIRE:  104 18:26:54       -5.040534        0.028271
FIRE:  105 18:26:54       -5.040535        0.026925
FIRE:  106 18:26:54       -5.040536        0.025275
FIRE:  107 18:26:54       -5.040538        0.023345
FIRE:  108 18:26:54       -5.040539        0.021158
FIRE:  109 18:26:54       -5.040540        0.018480
FIRE:  110 18:26:54       -5.040542        0.015259
FIRE:  111 18:26:54       -5.040543        0.011468
FIRE:  112 18:26:54       -5.040543        0.007140
      Step     Time          Energy          fmax
FIRE:    0 18:26:54       -2.902086        6.562989
FIRE:    1 18:26:54       -2.904522        6.521173
FIRE:    2 18:26:54       -2.909332        6.438345
FIRE:    3 18:26:54       -2.916398        6.316091
FIRE:    4 18:26:54       -2.925544        6.156722
FIRE:    5 18:26:54       -2.936549        5.963195
FIRE:    6 18:26:54       -2.949155        5.739000
FIRE:    7 18:26:54       -2.963074        5.488038
FIRE:    8 18:26:54       -2.979630        5.184327
FIRE:    9 18:26:54       -2.998842        4.823690
FIRE:   10 18:26:54       -3.020524        4.404043
FIRE:   11 18:26:54       -3.044214        3.926401
FIRE:   12 18:26:54       -3.069125        3.395893
FIRE:   13 18:26:54       -3.094144        2.822641
FIRE:   14 18:26:54       -3.117911        2.306406
FIRE:   15 18:26:54       -3.139037        1.764591
FIRE:   16 18:26:54       -3.156422        1.730505
FIRE:   17 18:26:54       -3.169558        1.642849
FIRE:   18 18:26:54       -3.178459        1.398523
FIRE:   19 18:26:54       -3.183147        1.335303
FIRE:   20 18:26:54       -3.183268        1.100594
      Step     Time          Energy          fmax
FIRE:    0 18:26:54       -3.183268        1.100594
FIRE:    1 18:26:54       -3.183322        1.096335
FIRE:    2 18:26:54       -3.183427        1.087839
FIRE:    3 18:26:54       -3.183584        1.075152
FIRE:    4 18:26:54       -3.183789        1.058342
FIRE:    5 18:26:54       -3.184040        1.037502
FIRE:    6 18:26:54       -3.184333        1.012748
FIRE:    7 18:26:54       -3.184663        0.984219
FIRE:    8 18:26:54       -3.185066        0.948455
FIRE:    9 18:26:54       -3.185550        0.904097
FIRE:   10 18:26:54       -3.186117        0.849658
FIRE:   11 18:26:54       -3.186768        0.783567
FIRE:   12 18:26:54       -3.187493        0.704269
FIRE:   13 18:26:54       -3.188269        0.610380
FIRE:   14 18:26:54       -3.189061        0.500940
FIRE:   15 18:26:54       -3.189813        0.410629
FIRE:   16 18:26:54       -3.190454        0.391707
FIRE:   17 18:26:54       -3.190905        0.376550
FIRE:   18 18:26:54       -3.191104        0.367304
FIRE:   19 18:26:54       -3.191041        0.364261
FIRE:   20 18:26:54       -3.190789        0.364751
FIRE:   21 18:26:54       -3.190491        0.425237
FIRE:   22 18:26:54       -3.190330        0.465114
FIRE:   23 18:26:54       -3.190450        0.440500
FIRE:   24 18:26:54       -3.190858        0.363670
FIRE:   25 18:26:54       -3.191332        0.327032
FIRE:   26 18:26:54       -3.191479        0.317621
FIRE:   27 18:26:54       -3.191171        0.341427
FIRE:   28 18:26:54       -3.190974        0.450403
FIRE:   29 18:26:54       -3.191546        0.390465
FIRE:   30 18:26:54       -3.192435        0.296681
FIRE:   31 18:26:54       -3.192437        0.296029
FIRE:   32 18:26:54       -3.192075        0.372000
FIRE:   33 18:26:54       -3.192774        0.344738
FIRE:   34 18:26:54       -3.193511        0.299246
FIRE:   35 18:26:54       -3.193803        0.380962
FIRE:   36 18:26:54       -3.195075        0.395381
FIRE:   37 18:26:54       -3.195463        0.359961
FIRE:   38 18:26:54       -3.197186        0.294887
FIRE:   39 18:26:54       -3.198164        0.336107
FIRE:   40 18:26:54       -3.199654        0.382916
FIRE:   41 18:26:54       -3.201242        0.416442
FIRE:   42 18:26:54       -3.203126        0.300189
FIRE:   43 18:26:54       -3.205423        0.374867
FIRE:   44 18:26:54       -3.207593        0.305469
FIRE:   45 18:26:54       -3.210627        0.302076
FIRE:   46 18:26:54       -3.213835        0.304721
FIRE:   47 18:26:54       -3.217624        0.292575
FIRE:   48 18:26:54       -3.222006        0.273891
FIRE:   49 18:26:54       -3.227077        0.284066
FIRE:   50 18:26:54       -3.233335        0.291324
FIRE:   51 18:26:54       -3.240470        0.343236
FIRE:   52 18:26:54       -3.248853        0.387548
FIRE:   53 18:26:54       -3.258578        0.392704
FIRE:   54 18:26:54       -3.269559        0.397041
FIRE:   55 18:26:54       -3.282072        0.417124
FIRE:   56 18:26:54       -3.296199        0.447038
FIRE:   57 18:26:54       -3.312033        0.483491
FIRE:   58 18:26:54       -3.329891        0.502997
FIRE:   59 18:26:54       -3.350085        0.498884
FIRE:   60 18:26:54       -3.372999        0.486717
FIRE:   61 18:26:54       -3.399369        0.548997
FIRE:   62 18:26:54       -3.430178        0.590918
FIRE:   63 18:26:54       -3.466364        0.621902
FIRE:   64 18:26:54       -3.508764        0.750973
FIRE:   65 18:26:54       -3.558231        0.822077
FIRE:   66 18:26:54       -3.615787        0.956759
FIRE:   67 18:26:54       -3.682883        1.112819
FIRE:   68 18:26:54       -3.761663        1.288050
FIRE:   69 18:26:54       -3.854868        1.482551
FIRE:   70 18:26:54       -3.965169        1.695733
FIRE:   71 18:26:54       -4.094316        1.921223
FIRE:   72 18:26:54       -4.242443        2.152816
FIRE:   73 18:26:54       -4.407403        2.334608
FIRE:   74 18:26:54       -4.583493        2.384327
FIRE:   75 18:26:54       -4.758832        2.426871
FIRE:   76 18:26:54       -4.910907        2.221496
FIRE:   77 18:26:54       -5.001787        1.726840
FIRE:   78 18:26:54       -4.979420        3.386105
FIRE:   79 18:26:54       -5.014991        1.660198
FIRE:   80 18:26:54       -5.030152        0.855514
FIRE:   81 18:26:54       -5.024999        1.261293
FIRE:   82 18:26:54       -5.027590        1.155257
FIRE:   83 18:26:54       -5.031919        0.945276
FIRE:   84 18:26:54       -5.036495        0.638615
FIRE:   85 18:26:54       -5.039626        0.263378
FIRE:   86 18:26:54       -5.040078        0.236877
FIRE:   87 18:26:54       -5.040098        0.231516
FIRE:   88 18:26:54       -5.040137        0.220963
FIRE:   89 18:26:54       -5.040190        0.205559
FIRE:   90 18:26:54       -5.040252        0.185813
FIRE:   91 18:26:54       -5.040316        0.162404
FIRE:   92 18:26:54       -5.040378        0.136194
FIRE:   93 18:26:54       -5.040430        0.109276
FIRE:   94 18:26:54       -5.040474        0.103718
FIRE:   95 18:26:54       -5.040500        0.098470
FIRE:   96 18:26:54       -5.040507        0.094214
FIRE:   97 18:26:54       -5.040497        0.091504
FIRE:   98 18:26:54       -5.040483        0.100610
FIRE:   99 18:26:54       -5.040478        0.097669
FIRE:  100 18:26:54       -5.040490        0.091421
FIRE:  101 18:26:54       -5.040512        0.092665
FIRE:  102 18:26:54       -5.040522        0.094423
FIRE:  103 18:26:54       -5.040505        0.096643
FIRE:  104 18:26:54       -5.040475        0.101075
FIRE:  105 18:26:54       -5.040474        0.105254
FIRE:  106 18:26:54       -5.040514        0.091833
FIRE:  107 18:26:54       -5.040542        0.085491
FIRE:  108 18:26:54       -5.040519        0.083584
FIRE:  109 18:26:54       -5.040516        0.084781
FIRE:  110 18:26:54       -5.040523        0.084263
FIRE:  111 18:26:54       -5.040504        0.083498
FIRE:  112 18:26:54       -5.040545        0.078133
FIRE:  113 18:26:54       -5.040511        0.079320
FIRE:  114 18:26:54       -5.040531        0.083755
FIRE:  115 18:26:54       -5.040512        0.074035
FIRE:  116 18:26:54       -5.040525        0.058615
FIRE:  117 18:26:54       -5.040539        0.034777
FIRE:  118 18:26:54       -5.040542        0.018447
FIRE:  119 18:26:54       -5.040540        0.034217
FIRE:  120 18:26:54       -5.040542        0.030376
FIRE:  121 18:26:54       -5.040544        0.023169
FIRE:  122 18:26:54       -5.040544        0.021766
FIRE:  123 18:26:54       -5.040544        0.020847
FIRE:  124 18:26:54       -5.040544        0.020303
FIRE:  125 18:26:54       -5.040545        0.020152
FIRE:  126 18:26:54       -5.040545        0.020376
FIRE:  127 18:26:54       -5.040545        0.020503
FIRE:  128 18:26:54       -5.040545        0.020903
FIRE:  129 18:26:54       -5.040545        0.021709
FIRE:  130 18:26:54       -5.040545        0.023016
FIRE:  131 18:26:54       -5.040545        0.024377
FIRE:  132 18:26:54       -5.040545        0.024766
FIRE:  133 18:26:54       -5.040546        0.021366
FIRE:  134 18:26:54       -5.040546        0.042313
FIRE:  135 18:26:54       -5.040544        0.026196
FIRE:  136 18:26:54       -5.040539        0.036910
FIRE:  137 18:26:54       -5.040535        0.039232
FIRE:  138 18:26:54       -5.040527        0.042746
FIRE:  139 18:26:54       -5.040520        0.054617
FIRE:  140 18:26:54       -5.040514        0.076044
FIRE:  141 18:26:54       -5.040513        0.085181
FIRE:  142 18:26:54       -5.040523        0.075358
FIRE:  143 18:26:54       -5.040544        0.064553
FIRE:  144 18:26:54       -5.040548        0.081301
FIRE:  145 18:26:54       -5.040551        0.078453
FIRE:  146 18:26:54       -5.040551        0.072314
FIRE:  147 18:26:54       -5.040552        0.069366
FIRE:  148 18:26:54       -5.040552        0.070889
FIRE:  149 18:26:54       -5.040552        0.066940
FIRE:  150 18:26:54       -5.040552        0.069833
FIRE:  151 18:26:54       -5.040553        0.070316
FIRE:  152 18:26:54       -5.040554        0.055339
FIRE:  153 18:26:54       -5.040554        0.052191
FIRE:  154 18:26:54       -5.040554        0.053485
FIRE:  155 18:26:54       -5.040555        0.060152
FIRE:  156 18:26:54       -5.040556        0.054576
FIRE:  157 18:26:54       -5.040557        0.054772
FIRE:  158 18:26:54       -5.040559        0.046856
FIRE:  159 18:26:54       -5.040560        0.042349
FIRE:  160 18:26:54       -5.040561        0.040144
FIRE:  161 18:26:54       -5.040562        0.061140
FIRE:  162 18:26:54       -5.040563        0.067769
FIRE:  163 18:26:54       -5.040565        0.068586
FIRE:  164 18:26:54       -5.040567        0.045488
FIRE:  165 18:26:54       -5.040568        0.040343
FIRE:  166 18:26:54       -5.040567        0.045307
FIRE:  167 18:26:54       -5.040567        0.051077
FIRE:  168 18:26:54       -5.040570        0.058249
FIRE:  169 18:26:54       -5.040574        0.039772
FIRE:  170 18:26:54       -5.040574        0.035870
FIRE:  171 18:26:54       -5.040570        0.037936
FIRE:  172 18:26:54       -5.040569        0.038347
FIRE:  173 18:26:54       -5.040573        0.049737
FIRE:  174 18:26:54       -5.040577        0.047809
FIRE:  175 18:26:54       -5.040572        0.035281
FIRE:  176 18:26:54       -5.040563        0.040234
FIRE:  177 18:26:54       -5.040564        0.037743
FIRE:  178 18:26:54       -5.040570        0.036304
FIRE:  179 18:26:54       -5.040566        0.033073
FIRE:  180 18:26:54       -5.040555        0.039032
FIRE:  181 18:26:54       -5.040557        0.032414
FIRE:  182 18:26:54       -5.040559        0.031995
FIRE:  183 18:26:54       -5.040552        0.033109
FIRE:  184 18:26:54       -5.040548        0.032901
FIRE:  185 18:26:54       -5.040550        0.034125
FIRE:  186 18:26:54       -5.040546        0.033913
FIRE:  187 18:26:54       -5.040543        0.032460
FIRE:  188 18:26:54       -5.040545        0.033333
FIRE:  189 18:26:54       -5.040541        0.039913
FIRE:  190 18:26:54       -5.040544        0.047856
FIRE:  191 18:26:54       -5.040542        0.055575
FIRE:  192 18:26:54       -5.040543        0.063577
FIRE:  193 18:26:54       -5.040544        0.072683
FIRE:  194 18:26:54       -5.040543        0.080615
FIRE:  195 18:26:54       -5.040547        0.088271
FIRE:  196 18:26:54       -5.040545        0.093136
FIRE:  197 18:26:54       -5.040548        0.088647
FIRE:  198 18:26:54       -5.040548        0.031191
FIRE:  199 18:26:54       -5.040544        0.034042
FIRE:  200 18:26:54       -5.040552        0.040044
FIRE:  201 18:26:54       -5.040551        0.047339
FIRE:  202 18:26:54       -5.040551        0.027892
FIRE:  203 18:26:54       -5.040555        0.042547
FIRE:  204 18:26:54       -5.040554        0.031942
FIRE:  205 18:26:54       -5.040554        0.021037
FIRE:  206 18:26:54       -5.040556        0.031860
FIRE:  207 18:26:54       -5.040555        0.035042
FIRE:  208 18:26:54       -5.040554        0.019295
FIRE:  209 18:26:54       -5.040555        0.028475
FIRE:  210 18:26:54       -5.040554        0.025329
FIRE:  211 18:26:54       -5.040552        0.030320
FIRE:  212 18:26:54       -5.040552        0.021718
FIRE:  213 18:26:54       -5.040552        0.026889
FIRE:  214 18:26:54       -5.040549        0.040051
FIRE:  215 18:26:54       -5.040549        0.017485
FIRE:  216 18:26:54       -5.040549        0.029290
FIRE:  217 18:26:54       -5.040547        0.041200
FIRE:  218 18:26:54       -5.040547        0.020712
FIRE:  219 18:26:54       -5.040546        0.038664
FIRE:  220 18:26:54       -5.040545        0.044652
FIRE:  221 18:26:54       -5.040545        0.022062
FIRE:  222 18:26:54       -5.040544        0.049726
FIRE:  223 18:26:54       -5.040544        0.033736
FIRE:  224 18:26:54       -5.040544        0.031722
FIRE:  225 18:26:54       -5.040544        0.049811
FIRE:  226 18:26:54       -5.040544        0.022133
FIRE:  227 18:26:54       -5.040544        0.040276
FIRE:  228 18:26:54       -5.040545        0.037104
FIRE:  229 18:26:54       -5.040545        0.028217
FIRE:  230 18:26:54       -5.040545        0.035188
FIRE:  231 18:26:54       -5.040546        0.028282
FIRE:  232 18:26:54       -5.040546        0.031904
FIRE:  233 18:26:54       -5.040546        0.037120
FIRE:  234 18:26:54       -5.040547        0.020680
FIRE:  235 18:26:54       -5.040547        0.038735
FIRE:  236 18:26:54       -5.040547        0.024451
FIRE:  237 18:26:55       -5.040547        0.007863
.Global seed for "test/neb/test_neb_tr.py:test_neb_tr" was: 3004

neb/test_precon_neb.py vac_index=28 i1=7 i2=30 distance=5.105310960166872
        Step     Time          Energy          fmax
ODE12r:    0 18:26:55     -204.146484        0.065682
ODE12r:    1 18:26:55     -204.147218        0.020012
ODE12r:    2 18:26:55     -204.147277        0.005312
ODE12r:    3 18:26:55     -204.147281        0.001599
ODE12r:    4 18:26:55     -204.147282        0.000430
        Step     Time          Energy          fmax
ODE12r:    0 18:26:55     -204.146484        0.065682
ODE12r:    1 18:26:55     -204.147218        0.020012
ODE12r:    2 18:26:55     -204.147277        0.005312
ODE12r:    3 18:26:55     -204.147281        0.001599
ODE12r:    4 18:26:55     -204.147282        0.000430
        Step     Time          Energy          fmax
ODE12r:    0 18:26:55     -195.709184       12.732933
ODE12r:    1 18:26:55     -198.080889        6.562713
ODE12r:    2 18:26:55     -198.453627        5.315757
ODE12r:    3 18:26:55     -198.823900        3.909865
ODE12r:    4 18:26:55     -199.079819        2.838447
ODE12r:    5 18:26:55     -199.272332        2.000272
ODE12r:    6 18:26:55     -199.419900        1.377813
ODE12r:    7 18:26:55     -199.534609        0.977238
ODE12r:    8 18:26:55     -199.620973        0.695532
ODE12r:    9 18:26:55     -199.679933        0.429940
ODE12r:   10 18:26:55     -199.712237        0.261862
ODE12r:   11 18:26:55     -199.730039        0.179230
ODE12r:   12 18:26:55     -199.737826        0.104837
ODE12r:   13 18:26:55     -199.740483        0.038039
ODE12r:   14 18:26:55     -199.740976        0.020821
ODE12r:   15 18:26:55     -199.740999        0.008026
REF: 4.406282298946053 0.0
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_neb_methods_aseneb_BFGS_N0
      Step     Time          Energy          fmax
BFGS:    0 18:26:55     -195.709184       12.732933
BFGS:    1 18:26:55     -198.828133        4.420077
BFGS:    2 18:26:55     -199.600037        1.500484
BFGS:    3 18:26:55     -199.696370        0.655443
BFGS:    4 18:26:55     -199.725011        0.274453
BFGS:    5 18:26:55     -199.736010        0.164253
BFGS:    6 18:26:55     -199.738884        0.110376
BFGS:    7 18:26:55     -199.740237        0.091553
BFGS:    8 18:26:56     -199.740569        0.045326
BFGS:    9 18:26:56     -199.740644        0.032725
BFGS:   10 18:26:56     -199.740724        0.022816
BFGS:   11 18:26:56     -199.740783        0.016075
BFGS:   12 18:26:56     -199.740807        0.012450
BFGS:   13 18:26:56     -199.740816        0.006304
aseneb,BFGS,None => Ef = 4.406, dE = 0.000
Ef error 0.00018359154663016852 dE error 0.0 position error at saddle 0.005152998006842324
.Global seed for "test/neb/test_precon_neb.py:test_neb_methods" was: 4198
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_neb_methods_improvedtange0
      Step     Time          Energy          fmax
BFGS:    0 18:26:56     -195.709184       12.732933
BFGS:    1 18:26:56     -198.828133        4.420077
BFGS:    2 18:26:56     -199.600037        1.500334
BFGS:    3 18:26:56     -199.696370        0.655370
BFGS:    4 18:26:56     -199.725012        0.274440
BFGS:    5 18:26:56     -199.736010        0.164365
BFGS:    6 18:26:56     -199.738884        0.110590
BFGS:    7 18:26:56     -199.740237        0.091817
BFGS:    8 18:26:56     -199.740568        0.045604
BFGS:    9 18:26:56     -199.740644        0.032893
BFGS:   10 18:26:56     -199.740724        0.023238
BFGS:   11 18:26:57     -199.740782        0.016385
BFGS:   12 18:26:57     -199.740806        0.012951
BFGS:   13 18:26:57     -199.740816        0.006656
improvedtangent,BFGS,None => Ef = 4.406, dE = 0.000
Ef error 0.0001837391673689126 dE error 0.0 position error at saddle 0.005152998006842324
.Global seed for "test/neb/test_precon_neb.py:test_neb_methods" was: 4198
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_neb_methods_spline_NEBOpt0
                   Step     Time         fmax
NEBOptimizer[ode]:    0 18:26:57       4.8692
NEBOptimizer[ode]:    1 18:26:57       1.7777
NEBOptimizer[ode]:    2 18:26:57       0.9858
NEBOptimizer[ode]:    3 18:26:57       0.4420
NEBOptimizer[ode]:    4 18:26:57       0.2406
NEBOptimizer[ode]:    5 18:26:57       0.3530
NEBOptimizer[ode]:    6 18:26:57       0.2636
NEBOptimizer[ode]:    7 18:26:57       0.1014
NEBOptimizer[ode]:    8 18:26:57       0.0975
NEBOptimizer[ode]:    9 18:26:57       0.0749
NEBOptimizer[ode]:   10 18:26:57       0.0525
NEBOptimizer[ode]:   11 18:26:57       0.0458
NEBOptimizer[ode]:   12 18:26:57       0.0422
NEBOptimizer[ode]:   13 18:26:57       0.0366
NEBOptimizer[ode]:   14 18:26:58       0.0315
NEBOptimizer[ode]:   15 18:26:58       0.0277
NEBOptimizer[ode]:   16 18:26:58       0.0348
NEBOptimizer[ode]:   17 18:26:58       0.0221
NEBOptimizer[ode]:   18 18:26:58       0.0191
NEBOptimizer[ode]:   19 18:26:58       0.0178
NEBOptimizer[ode]:   20 18:26:58       0.0229
NEBOptimizer[ode]:   21 18:26:58       0.0438
NEBOptimizer[ode]:   22 18:26:58       0.0189
NEBOptimizer[ode]:   23 18:26:58       0.0126
NEBOptimizer[ode]:   24 18:26:58       0.0122
NEBOptimizer[ode]:   25 18:26:58       0.0107
NEBOptimizer[ode]:   26 18:26:58       0.0060
spline,NEBOptimizer,None => Ef = 4.406, dE = 0.000
Ef error 0.0001777939272074036 dE error 0.0 position error at saddle 0.0051529980069031645
.Global seed for "test/neb/test_precon_neb.py:test_neb_methods" was: 4198
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_neb_methods_string_NEBOpt0
                   Step     Time         fmax
NEBOptimizer[ode]:    0 18:26:58      10.0777
NEBOptimizer[ode]:    1 18:26:58       8.8736
NEBOptimizer[ode]:    2 18:26:59       5.0552
NEBOptimizer[ode]:    3 18:26:59       2.0730
NEBOptimizer[ode]:    4 18:26:59       1.2691
NEBOptimizer[ode]:    5 18:26:59       0.6186
NEBOptimizer[ode]:    6 18:26:59       0.2672
NEBOptimizer[ode]:    7 18:26:59       0.2840
NEBOptimizer[ode]:    8 18:26:59       0.3493
NEBOptimizer[ode]:    9 18:26:59       0.0547
NEBOptimizer[ode]:   10 18:26:59       0.0413
NEBOptimizer[ode]:   11 18:26:59       0.0228
NEBOptimizer[ode]:   12 18:26:59       0.0189
NEBOptimizer[ode]:   13 18:26:59       0.0163
NEBOptimizer[ode]:   14 18:26:59       0.0178
NEBOptimizer[ode]:   15 18:26:59       0.0130
NEBOptimizer[ode]:   16 18:26:59       0.0103
NEBOptimizer[ode]:   17 18:26:59       0.0079
string,NEBOptimizer,Exp => Ef = 4.406, dE = 0.000
Ef error 0.00015563846687882688 dE error 0.0 position error at saddle 0.0067978224696800815
.Global seed for "test/neb/test_precon_neb.py:test_neb_methods" was: 4198
                   Step     Time         fmax
NEBOptimizer[ode]:    0 18:27:00      10.0777
NEBOptimizer[ode]:    1 18:27:00       8.8736
.Global seed for "test/neb/test_precon_neb.py:test_neb_optimizers" was: 11608
                      Step     Time         fmax
NEBOptimizer[static]:    0 18:27:00      10.3982
NEBOptimizer[static]:    1 18:27:00      10.1870
.Global seed for "test/neb/test_precon_neb.py:test_neb_optimizers" was: 11608
.Global seed for "test/neb/test_precon_neb.py:test_precon_initialisation" was: 2168
.Global seed for "test/neb/test_precon_neb.py:test_single_precon_initialisation" was: 1587
.Global seed for "test/neb/test_precon_neb.py:test_list_precon_initialisation" was: 1358
.Global seed for "test/neb/test_precon_neb.py:test_precon_assembly" was: 3544
.Global seed for "test/neb/test_precon_neb.py:test_spline_fit" was: 935
.Global seed for "test/neb/test_precon_neb.py:test_integrate_forces" was: 2844

neb/test_shared_calculator_neb.py .Global seed for "test/neb/test_shared_calculator_neb.py:test_get_neb_method" was: 8859
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_deprecations0
.Global seed for "test/neb/test_shared_calculator_neb.py:test_deprecations" was: 414
.Global seed for "test/neb/test_shared_calculator_neb.py:test_neb_default" was: 4743
.Global seed for "test/neb/test_shared_calculator_neb.py:test_raising_parallel_errors" was: 9648
.Global seed for "test/neb/test_shared_calculator_neb.py:test_no_shared_calc" was: 6174
.Global seed for "test/neb/test_shared_calculator_neb.py:test_init_checks" was: 5212
.Global seed for "test/neb/test_shared_calculator_neb.py:test_freeze_method" was: 3341

neighbor/test_neighbor.py .Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_unique" was: 12060
.Global seed for "test/neighbor/test_neighbor.py:test_supercell" was: 10789
.Global seed for "test/neighbor/test_neighbor.py:test_supercell" was: 10789
.Global seed for "test/neighbor/test_neighbor.py:test_H2" was: 7140
.Global seed for "test/neighbor/test_neighbor.py:test_H2_shape_and_type" was: 671
.Global seed for "test/neighbor/test_neighbor.py:test_fcc" was: 1335
.Global seed for "test/neighbor/test_neighbor.py:test_use_scaled_positions" was: 7476
.Global seed for "test/neighbor/test_neighbor.py:test_empty_neighbor_list" was: 2655
.Global seed for "test/neighbor/test_neighbor.py:test_equivalence_of_primitive_classes" was: 656
.Global seed for "test/neighbor/test_neighbor.py:test_equivalence_of_primitive_classes" was: 656
.Global seed for "test/neighbor/test_neighbor.py:test_equivalence_of_primitive_classes" was: 656
.Global seed for "test/neighbor/test_neighbor.py:test_equivalence_of_primitive_classes" was: 656
.Global seed for "test/neighbor/test_neighbor.py:test_equivalence_of_primitive_classes" was: 656
.Global seed for "test/neighbor/test_neighbor.py:test_equivalence_of_primitive_classes" was: 656
.Global seed for "test/neighbor/test_neighbor.py:test_equivalence_of_primitive_classes" was: 656
.Global seed for "test/neighbor/test_neighbor.py:test_equivalence_of_primitive_classes" was: 656
.Global seed for "test/neighbor/test_neighbor.py:test_small_cell_and_large_cutoff" was: 409

neighbor/test_neighbor_initialization.py .Global seed for "test/neighbor/test_neighbor_initialization.py:test_neighborlist_initialization" was: 11304

neighbor/test_neighbor_kernel.py .Global seed for "test/neighbor/test_neighbor_kernel.py:test_neighbor_kernel" was: 4651

optimize/test_bad_restart.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bad_restart0
.Global seed for "test/optimize/test_bad_restart.py:test_bad_restart" was: 1366

optimize/test_cellawarebfgs.py       Step     Time          Energy          fmax
BFGS:    0 18:27:03        0.012408        0.275028
BFGS:    1 18:27:03        0.008313        0.220129
BFGS:    2 18:27:03        0.002161        0.123567
BFGS:    3 18:27:03        0.001429        0.100981
BFGS:    4 18:27:03        0.000032        0.024141
      Step     Time          Energy          fmax
BFGS:    0 18:27:03        0.024815        0.275028
BFGS:    1 18:27:03        0.018962        0.233119
BFGS:    2 18:27:03        0.001415        0.106833
BFGS:    3 18:27:03        0.000631        0.045849
.Global seed for "test/optimize/test_cellawarebfgs.py:test_rattle_supercell_old" was: 9699

               Step     Time          Energy             fmax            smax          volume       A        B        C        α        β        γ
CellAwareBFGS:    0 18:27:03        0.012408         0.233951        0.016195       33.958656   5.770    2.885    2.885   60.000   60.000   60.000
CellAwareBFGS:    1 18:27:03        0.006542         0.247527        0.002025       33.370574   5.737    2.866    2.867   60.024   60.104   60.042
CellAwareBFGS:    2 18:27:03        0.004657         0.207097        0.002552       33.334351   5.734    2.864    2.865   60.029   60.158   60.052
CellAwareBFGS:    3 18:27:03        0.000191         0.027034        0.002314       33.311461   5.729    2.867    2.865   59.986   60.194   59.988
CellAwareBFGS:    4 18:27:03        0.000083         0.025773        0.000461       33.365272   5.734    2.869    2.867   59.970   60.126   59.973
CellAwareBFGS:    5 18:27:03        0.000044         0.025182        0.000464       33.379654   5.736    2.870    2.867   59.967   60.062   59.968
CellAwareBFGS:    6 18:27:03       -0.000015         0.023110        0.000718       33.389483   5.739    2.870    2.869   59.979   59.959   59.975
CellAwareBFGS:    7 18:27:03       -0.000082         0.018834        0.001027       33.388730   5.741    2.869    2.870   60.011   59.862   60.000
CellAwareBFGS:    8 18:27:03       -0.000152         0.012409        0.000947       33.378020   5.742    2.866    2.870   60.053   59.817   60.036
CellAwareBFGS:    9 18:27:03       -0.000206         0.006430        0.000543       33.364930   5.741    2.864    2.870   60.075   59.850   60.059
CellAwareBFGS:   10 18:27:03       -0.000244         0.002736        0.000539       33.357535   5.739    2.864    2.869   60.065   59.926   60.054
CellAwareBFGS:   11 18:27:03       -0.000264         0.001214        0.000339       33.358999   5.737    2.866    2.868   60.033   59.991   60.029
CellAwareBFGS:   12 18:27:03       -0.000270         0.000347        0.000094       33.364285   5.736    2.868    2.868   60.007   60.010   60.007
CellAwareBFGS:   13 18:27:03       -0.000270         0.000045        0.000018       33.366741   5.736    2.868    2.868   60.000   60.004   60.001

               Step     Time          Energy             fmax            smax          volume       A        B        C        α        β        γ
CellAwareBFGS:    0 18:27:03        0.024815         0.233951        0.016195       67.917312  11.540    2.885    2.885   60.000   60.000   60.000
CellAwareBFGS:    1 18:27:03        0.013084         0.247527        0.002025       66.741148  11.474    2.866    2.867   60.024   60.104   60.042
CellAwareBFGS:    2 18:27:03        0.009314         0.207097        0.002552       66.668703  11.469    2.864    2.865   60.029   60.158   60.052
CellAwareBFGS:    3 18:27:03        0.000383         0.027034        0.002314       66.622923  11.459    2.867    2.865   59.986   60.194   59.988
CellAwareBFGS:    4 18:27:03        0.000166         0.025773        0.000461       66.730543  11.467    2.869    2.867   59.970   60.126   59.973
CellAwareBFGS:    5 18:27:03        0.000088         0.025182        0.000464       66.759307  11.471    2.870    2.867   59.967   60.062   59.968
CellAwareBFGS:    6 18:27:03       -0.000030         0.023110        0.000718       66.778965  11.477    2.870    2.869   59.979   59.959   59.975
CellAwareBFGS:    7 18:27:03       -0.000165         0.018834        0.001027       66.777461  11.482    2.869    2.870   60.011   59.862   60.000
CellAwareBFGS:    8 18:27:03       -0.000304         0.012409        0.000947       66.756041  11.484    2.866    2.870   60.053   59.817   60.036
CellAwareBFGS:    9 18:27:03       -0.000413         0.006430        0.000543       66.729859  11.482    2.864    2.870   60.075   59.850   60.059
CellAwareBFGS:   10 18:27:03       -0.000488         0.002736        0.000539       66.715071  11.477    2.864    2.869   60.065   59.926   60.054
CellAwareBFGS:   11 18:27:03       -0.000528         0.001214        0.000339       66.717999  11.473    2.866    2.868   60.033   59.991   60.029
CellAwareBFGS:   12 18:27:03       -0.000539         0.000347        0.000094       66.728571  11.472    2.868    2.868   60.007   60.010   60.007
CellAwareBFGS:   13 18:27:03       -0.000541         0.000045        0.000018       66.733483  11.472    2.868    2.868   60.000   60.004   60.001
.Global seed for "test/optimize/test_cellawarebfgs.py:test_rattle_supercell" was: 3747

               Step     Time          Energy             fmax            smax          volume       A        B        C        α        β        γ
CellAwareBFGS:    0 18:27:03        4.547953         1.132881        0.038497      512.499658   8.170    5.770   10.885   90.000   90.000   87.138
CellAwareBFGS:    1 18:27:03        3.965641         0.718198        0.022972      496.132337   8.081    5.646   10.885   90.000   90.000   87.380
CellAwareBFGS:    2 18:27:03        3.699359         0.477201        0.009468      473.458188   7.956    5.470   10.885   90.000   90.000   88.200
CellAwareBFGS:    3 18:27:03        3.668800         0.427311        0.002142      477.825809   7.970    5.510   10.885   90.000   90.000   88.369
CellAwareBFGS:    4 18:27:03        3.646041         0.376361        0.003028      479.360554   7.963    5.531   10.885   90.000   90.000   88.843
CellAwareBFGS:    5 18:27:03        3.603978         0.339817        0.002711      480.897034   7.926    5.574   10.885   90.000   90.000   90.269
CellAwareBFGS:    6 18:27:03        3.589792         0.336854        0.001857      480.621806   7.907    5.585   10.885   90.000   90.000   90.747
CellAwareBFGS:    7 18:27:03        3.569239         0.278404        0.002274      480.093502   7.888    5.593   10.885   90.000   90.000   91.029
CellAwareBFGS:    8 18:27:03        3.547925         0.183949        0.002787      480.057603   7.884    5.594   10.885   90.000   90.000   90.802
CellAwareBFGS:    9 18:27:03        3.532093         0.172975        0.002420      480.919277   7.904    5.590   10.885   90.000   90.000   90.170
CellAwareBFGS:   10 18:27:03        3.525118         0.120470        0.001031      482.143131   7.929    5.586   10.885   90.000   90.000   89.727
CellAwareBFGS:   11 18:27:03        3.521840         0.098435        0.000621      483.042414   7.947    5.584   10.885   90.000   90.000   89.606
CellAwareBFGS:   12 18:27:03        3.518241         0.093820        0.001111      483.860761   7.967    5.580   10.885   90.000   90.000   89.625
CellAwareBFGS:   13 18:27:03        3.515378         0.075650        0.001043      484.086224   7.981    5.573   10.885   90.000   90.000   89.786
CellAwareBFGS:   14 18:27:03        3.513619         0.088836        0.000709      483.765066   7.984    5.567   10.885   90.000   90.000   89.983
CellAwareBFGS:   15 18:27:03        3.512410         0.087811        0.000440      483.311309   7.979    5.565   10.885   90.000   90.000   90.123
CellAwareBFGS:   16 18:27:03        3.510979         0.064488        0.000937      482.826151   7.971    5.565   10.885   90.000   90.000   90.223
CellAwareBFGS:   17 18:27:03        3.509520         0.035693        0.000991      482.576638   7.961    5.569   10.885   90.000   90.000   90.225
.Global seed for "test/optimize/test_cellawarebfgs.py:test_cellaware_bfgs_2d" was: 2968

               Step     Time          Energy             fmax            smax          volume       A        B        C        α        β        γ
CellAwareBFGS:    0 18:27:03        4.547953         1.132881        0.038497      512.499658   8.170    5.770   10.885   90.000   90.000   87.138
CellAwareBFGS:    1 18:27:03        3.962319         0.714864        0.022821      495.982941   8.081    5.645   10.885   90.000   90.000   87.384
CellAwareBFGS:    2 18:27:03        3.712664         0.482726        0.012105      471.950273   7.952    5.455   10.885   90.000   90.000   88.287
CellAwareBFGS:    3 18:27:03        3.670063         0.428255        0.002505      478.094640   7.972    5.512   10.885   90.000   90.000   88.385
CellAwareBFGS:    4 18:27:03        3.651309         0.390631        0.002800      478.791244   7.962    5.526   10.885   90.000   90.000   88.765
CellAwareBFGS:    5 18:27:03        3.599784         0.363236        0.001689      479.466519   7.900    5.576   10.885   90.000   90.000   90.613
CellAwareBFGS:    6 18:27:03        3.589302         0.339213        0.001846      479.742080   7.894    5.583   10.885   90.000   90.000   90.731
CellAwareBFGS:    7 18:27:03        3.541984         0.168919        0.001334      481.962944   7.884    5.616   10.885   90.000   90.000   90.608
CellAwareBFGS:    8 18:27:03        3.532561         0.150086        0.000891      482.325612   7.905    5.605   10.885   90.000   90.000   90.102
CellAwareBFGS:    9 18:27:03        3.525924         0.119741        0.000593      482.471061   7.934    5.587   10.885   90.000   90.000   89.616
CellAwareBFGS:   10 18:27:03        3.522409         0.093328        0.000802      482.669718   7.952    5.577   10.885   90.000   90.000   89.506
CellAwareBFGS:   11 18:27:03        3.517601         0.079204        0.000661      483.163368   7.977    5.564   10.885   90.000   90.000   89.597
CellAwareBFGS:   12 18:27:03        3.515361         0.080296        0.000390      483.463482   7.985    5.563   10.885   90.000   90.000   89.835
CellAwareBFGS:   13 18:27:03        3.513880         0.090248        0.000470      483.568454   7.983    5.565   10.885   90.000   90.000   90.074
CellAwareBFGS:   14 18:27:03        3.512483         0.079817        0.000422      483.531133   7.976    5.569   10.885   90.000   90.000   90.249
CellAwareBFGS:   15 18:27:03        3.510622         0.047780        0.000600      483.374102   7.965    5.575   10.885   90.000   90.000   90.351
.Global seed for "test/optimize/test_cellawarebfgs.py:test_cellaware_bfgs_2d" was: 2968

               Step     Time          Energy             fmax            smax          volume       A        B        C        α        β        γ
CellAwareBFGS:    0 18:27:03        0.002606         0.000000        0.018190       16.979328   2.885    2.885    2.885   60.000   60.000   60.000
CellAwareBFGS:    1 18:27:03       -0.000077         0.000000        0.002756       16.641461   2.866    2.866    2.866   60.000   60.000   60.000

               Step     Time          Energy             fmax            smax          volume       A        B        C        α        β        γ
CellAwareBFGS:    0 18:27:03        0.020851         0.000000        0.018190      135.834624   5.770    5.770    5.770   60.000   60.000   60.000
CellAwareBFGS:    1 18:27:03       -0.000619         0.000000        0.002756      133.131687   5.731    5.731    5.731   60.000   60.000   60.000
.Global seed for "test/optimize/test_cellawarebfgs.py:test_cellaware_bfgs" was: 975

               Step     Time          Energy             fmax            smax          volume       A        B        C        α        β        γ
CellAwareBFGS:    0 18:27:03        0.020851         0.000000        0.018190      135.834624   5.770    5.770    5.770   60.000   60.000   60.000
CellAwareBFGS:    1 18:27:03       -0.000619         0.000000        0.002756      133.131687   5.731    5.731    5.731   60.000   60.000   60.000
CellAwareBFGS:    2 18:27:03       -0.001081         0.000000        0.000082      133.478091   5.736    5.736    5.736   60.000   60.000   60.000
CellAwareBFGS:    3 18:27:03       -0.001081         0.000000        0.000000      133.468007   5.736    5.736    5.736   60.000   60.000   60.000
C_ijkl[0, 0] =
1.23 0.0 -0.0 
0.0 1.01 0.0 
-0.0 0.0 1.01 

C_ijkl[0, 1] =
0.0 0.29 0.0 
0.29 0.0 0.0 
0.0 0.0 0.0 

C_ijkl[0, 2] =
0.0 0.0 0.29 
0.0 0.0 -0.0 
0.29 -0.0 0.0 


C_ijkl[1, 0] =
-0.0 0.29 -0.0 
0.29 -0.0 -0.0 
-0.0 -0.0 -0.0 

C_ijkl[1, 1] =
1.01 0.0 -0.0 
0.0 1.23 -0.0 
-0.0 -0.0 1.01 

C_ijkl[1, 2] =
0.0 -0.0 -0.0 
-0.0 -0.0 0.29 
-0.0 0.29 0.0 


C_ijkl[2, 0] =
0.0 -0.0 0.29 
-0.0 -0.0 0.0 
0.29 0.0 -0.0 

C_ijkl[2, 1] =
0.0 0.0 0.0 
0.0 0.0 0.29 
0.0 0.29 -0.0 

C_ijkl[2, 2] =
1.01 0.0 -0.0 
0.0 1.01 -0.0 
-0.0 -0.0 1.23 



               Step     Time          Energy             fmax            smax          volume       A        B        C        α        β        γ
CellAwareBFGS:    0 18:27:03        0.004260         0.000000        0.008697      132.506012   5.739    5.713    5.737   59.673   59.854   59.967
CellAwareBFGS:    1 18:27:03       -0.001070         0.000000        0.000274      133.497043   5.736    5.737    5.736   60.031   60.003   60.001
162.49658864965795 161.7936468490789
134.4119735994137 137.8242176862524
134.41197359934304 137.8242176862524
4676.557446204906 4684.381228511365
-4598.863377143872 -4660.411799348539
4676.557446204847 4684.381228511365
-4598.863377143932 -4660.411799348539
-4598.863377143876 -4660.411799348539
4676.557446204903 4684.381228511365
134.41197359935717 137.8242176862524
162.49658864964027 161.7936468490789
134.41197359929365 137.8242176862524
4676.557446204869 4684.381228511365
-4598.86337714391 -4660.411799348539
-4598.86337714394 -4660.411799348539
4676.557446204839 4684.381228511365
-4598.863377143934 -4660.411799348539
4676.557446204845 4684.381228511365
134.4119735993889 137.8242176862524
134.41197359938894 137.8242176862524
162.49658864957684 161.7936468490789
.Global seed for "test/optimize/test_cellawarebfgs.py:test_elasticity_tensor" was: 7613

optimize/test_climb_fix_internals.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_climb_fix_internals_0_0_0
                       Step     Time          Energy          fmax
BFGSClimbFixInternals:    0 18:27:03        4.520441        2.163007
BFGSClimbFixInternals:    1 18:27:03        4.520575        2.391658
BFGSClimbFixInternals:    2 18:27:03        4.563097        4.812755
BFGSClimbFixInternals:    3 18:27:03        4.778588        8.276475
BFGSClimbFixInternals:    4 18:27:03        5.088289        7.903428
BFGSClimbFixInternals:    5 18:27:03        5.303927        6.389424
BFGSClimbFixInternals:    6 18:27:03        5.453259        5.119171
BFGSClimbFixInternals:    7 18:27:03        5.550265        4.336734
BFGSClimbFixInternals:    8 18:27:04        5.601312        3.784871
BFGSClimbFixInternals:    9 18:27:04        5.613666        3.401584
BFGSClimbFixInternals:   10 18:27:04        5.541111        0.392222
BFGSClimbFixInternals:   11 18:27:04        5.545064        0.357560
BFGSClimbFixInternals:   12 18:27:04        5.540244        0.026884
.Global seed for "test/optimize/test_climb_fix_internals.py:test_climb_fix_internals" was: 8779
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_climb_fix_internals_0_01_0
                       Step     Time          Energy          fmax
BFGSClimbFixInternals:    0 18:27:04        4.520441        2.163007
BFGSClimbFixInternals:    1 18:27:04        4.520575        2.391658
BFGSClimbFixInternals:    2 18:27:04        4.543147        3.997218
BFGSClimbFixInternals:    3 18:27:04        4.825287        8.524040
BFGSClimbFixInternals:    4 18:27:04        5.134112        7.843440
BFGSClimbFixInternals:    5 18:27:04        5.332128        6.154381
BFGSClimbFixInternals:    6 18:27:04        5.471325        4.713721
BFGSClimbFixInternals:    7 18:27:04        5.569177        4.291969
BFGSClimbFixInternals:    8 18:27:04        5.611612        3.830106
BFGSClimbFixInternals:    9 18:27:04        5.615221        3.432700
BFGSClimbFixInternals:   10 18:27:04        5.537633        1.724513
BFGSClimbFixInternals:   11 18:27:04        5.549815        0.953412
BFGSClimbFixInternals:   12 18:27:04        5.535639        0.837565
BFGSClimbFixInternals:   13 18:27:04        5.542488        0.015699
.Global seed for "test/optimize/test_climb_fix_internals.py:test_climb_fix_internals" was: 8779
.Global seed for "test/optimize/test_climb_fix_internals.py:test_initialization_with_different_constraints" was: 1797

optimize/test_fire.py       Step     Time          Energy          fmax
FIRE:    0 18:27:04        0.671920        3.201902
FIRE:    1 18:27:04      328.052953      323.061668
FIRE:    2 18:27:04    13077.924774    14740.968020
FIRE:    3 18:27:04      118.475084      126.555699
FIRE:    4 18:27:04       62.470212       41.735183
FIRE:    5 18:27:04       24.481000       33.081616
FIRE:    6 18:27:04       18.230313       19.264796
FIRE:    7 18:27:04       13.228687        9.967697
FIRE:    8 18:27:04       10.470670        7.924026
FIRE:    9 18:27:04        8.423874        9.270411
FIRE:   10 18:27:04        6.303929       10.346762
FIRE:   11 18:27:04        4.093511        8.505451
FIRE:   12 18:27:04        2.505961        5.134323
FIRE:   13 18:27:04        1.945802        2.526917
FIRE:   14 18:27:04        1.908652        2.444012
FIRE:   15 18:27:04        1.838147        2.286251
FIRE:   16 18:27:04        1.741046        2.218852
FIRE:   17 18:27:04        1.625676        2.230493
FIRE:   18 18:27:04        1.500373        2.238934
FIRE:   19 18:27:04        1.372189        2.239385
FIRE:   20 18:27:04        1.246114        2.226005
FIRE:   21 18:27:04        1.112549        2.187782
FIRE:   22 18:27:04        0.973691        2.109128
FIRE:   23 18:27:04        0.831012        1.970578
FIRE:   24 18:27:04        0.686246        1.756552
FIRE:   25 18:27:04        0.542881        1.467428
FIRE:   26 18:27:04        0.406909        1.117448
FIRE:   27 18:27:04        0.286134        0.968224
FIRE:   28 18:27:04        0.187593        0.825685
FIRE:   29 18:27:04        0.116834        0.605145
FIRE:   30 18:27:04        0.078882        0.346212
FIRE:   31 18:27:04        0.075379        0.611340
FIRE:   32 18:27:04        0.073189        0.598452
FIRE:   33 18:27:04        0.069003        0.573228
FIRE:   34 18:27:04        0.063186        0.536707
FIRE:   35 18:27:04        0.056237        0.490296
FIRE:   36 18:27:04        0.048733        0.435612
FIRE:   37 18:27:04        0.041278        0.374329
FIRE:   38 18:27:04        0.034448        0.308035
FIRE:   39 18:27:04        0.028238        0.230660
FIRE:   40 18:27:04        0.023625        0.142045
FIRE:   41 18:27:04        0.021750        0.042323
FIRE:   42 18:27:04        0.023231        0.074023
FIRE:   43 18:27:04        0.023190        0.073338
FIRE:   44 18:27:04        0.023111        0.071974
FIRE:   45 18:27:04        0.022995        0.069947
FIRE:   46 18:27:04        0.022849        0.067278
FIRE:   47 18:27:04        0.022677        0.063996
FIRE:   48 18:27:04        0.022486        0.060135
FIRE:   49 18:27:04        0.022283        0.055739
FIRE:   50 18:27:04        0.022055        0.050314
FIRE:   51 18:27:04        0.021811        0.043722
FIRE:   52 18:27:04        0.021566        0.035857
FIRE:   53 18:27:04        0.021344        0.026694
FIRE:   54 18:27:04        0.021175        0.016481
FIRE:   55 18:27:04        0.021093        0.023319
FIRE:   56 18:27:04        0.021106        0.034882
FIRE:   57 18:27:04        0.021103        0.034658
FIRE:   58 18:27:04        0.021099        0.034211
FIRE:   59 18:27:04        0.021092        0.033545
FIRE:   60 18:27:04        0.021083        0.032667
FIRE:   61 18:27:04        0.021073        0.031585
FIRE:   62 18:27:04        0.021061        0.030307
FIRE:   63 18:27:04        0.021048        0.028848
FIRE:   64 18:27:04        0.021033        0.027038
FIRE:   65 18:27:04        0.021016        0.024825
FIRE:   66 18:27:04        0.020997        0.022163
FIRE:   67 18:27:04        0.020978        0.019017
FIRE:   68 18:27:04        0.020958        0.015386
FIRE:   69 18:27:04        0.020940        0.011334
FIRE:   70 18:27:04        0.020924        0.009107
FIRE:   71 18:27:04        0.020910        0.008152
FIRE:   72 18:27:04        0.020898        0.007820
FIRE:   73 18:27:04        0.020886        0.007887
FIRE:   74 18:27:04        0.020874        0.007026
FIRE:   75 18:27:04        0.020862        0.006361
FIRE:   76 18:27:04        0.020855        0.005184
FIRE:   77 18:27:04        0.020859        0.002688
FIRE:   78 18:27:04        0.020859        0.002662
FIRE:   79 18:27:04        0.020859        0.002612
FIRE:   80 18:27:04        0.020858        0.002538
FIRE:   81 18:27:04        0.020858        0.002525
FIRE:   82 18:27:04        0.020857        0.002533
FIRE:   83 18:27:04        0.020856        0.002527
FIRE:   84 18:27:04        0.020856        0.002500
FIRE:   85 18:27:04        0.020855        0.002436
FIRE:   86 18:27:04        0.020854        0.002313
FIRE:   87 18:27:04        0.020853        0.002099
FIRE:   88 18:27:04        0.020852        0.001760
FIRE:   89 18:27:04        0.020852        0.001257
FIRE:   90 18:27:04        0.020851        0.000569
      Step     Time          Energy          fmax
FIRE:    0 18:27:04        0.671920        3.201902
FIRE:    1 18:27:04      328.052953      323.061668
FIRE:    2 18:27:04     1306.824172     1117.651010
FIRE:    3 18:27:04     1010.009272     1180.538590
FIRE:    4 18:27:04    15857.425658    17991.716100
FIRE:    5 18:27:04      256.192474      301.384812
FIRE:    6 18:27:04        1.448528        3.503430
FIRE:    7 18:27:04        0.674902        3.214500
FIRE:    8 18:27:04        0.670854        3.198131
FIRE:    9 18:27:04        0.668732        3.190623
FIRE:   10 18:27:04        0.665565        3.179407
FIRE:   11 18:27:04        0.661370        3.164528
FIRE:   12 18:27:04        0.656169        3.146045
FIRE:   13 18:27:04        0.649988        3.124030
FIRE:   14 18:27:04        0.642857        3.098568
FIRE:   15 18:27:04        0.633908        3.066502
FIRE:   16 18:27:04        0.622789        3.026500
FIRE:   17 18:27:04        0.609115        2.977043
FIRE:   18 18:27:04        0.592469        2.916432
FIRE:   19 18:27:04        0.572420        2.842817
FIRE:   20 18:27:04        0.548553        2.754253
FIRE:   21 18:27:04        0.520505        2.648791
FIRE:   22 18:27:04        0.488027        2.524618
FIRE:   23 18:27:04        0.451054        2.380257
FIRE:   24 18:27:04        0.409794        2.214814
FIRE:   25 18:27:04        0.364822        2.028281
FIRE:   26 18:27:04        0.317170        1.821863
FIRE:   27 18:27:04        0.268375        1.598249
FIRE:   28 18:27:04        0.220478        1.361695
FIRE:   29 18:27:04        0.175921        1.117675
FIRE:   30 18:27:04        0.137347        0.871930
FIRE:   31 18:27:04        0.107270        0.629060
FIRE:   32 18:27:04        0.087582        0.391537
FIRE:   33 18:27:04        0.078842        0.264897
FIRE:   34 18:27:04        0.079870        0.348924
FIRE:   35 18:27:04        0.078526        0.263195
FIRE:   36 18:27:04        0.077932        0.260363
FIRE:   37 18:27:04        0.077071        0.256425
FIRE:   38 18:27:04        0.075957        0.251414
FIRE:   39 18:27:04        0.074607        0.245367
FIRE:   40 18:27:04        0.073041        0.238334
FIRE:   41 18:27:04        0.071281        0.230373
FIRE:   42 18:27:04        0.069140        0.220565
FIRE:   43 18:27:04        0.066580        0.208618
FIRE:   44 18:27:04        0.063575        0.194242
FIRE:   45 18:27:04        0.060123        0.197870
FIRE:   46 18:27:04        0.056252        0.204098
FIRE:   47 18:27:04        0.052035        0.210202
FIRE:   48 18:27:04        0.047592        0.215376
FIRE:   49 18:27:04        0.043091        0.218291
FIRE:   50 18:27:04        0.038727        0.216905
FIRE:   51 18:27:04        0.034685        0.208375
FIRE:   52 18:27:04        0.031100        0.189329
FIRE:   53 18:27:04        0.028042        0.156658
FIRE:   54 18:27:04        0.025573        0.113279
FIRE:   55 18:27:04        0.023860        0.099172
FIRE:   56 18:27:04        0.023229        0.077981
FIRE:   57 18:27:04        0.023165        0.076872
FIRE:   58 18:27:04        0.023040        0.074671
FIRE:   59 18:27:04        0.022863        0.071414
FIRE:   60 18:27:04        0.022643        0.067154
FIRE:   61 18:27:04        0.022393        0.061961
FIRE:   62 18:27:04        0.022127        0.055922
FIRE:   63 18:27:04        0.021859        0.049137
FIRE:   64 18:27:04        0.021579        0.040909
FIRE:   65 18:27:04        0.021309        0.031142
FIRE:   66 18:27:04        0.021080        0.025357
FIRE:   67 18:27:04        0.020930        0.020841
FIRE:   68 18:27:04        0.020890        0.012997
FIRE:   69 18:27:04        0.020889        0.012796
FIRE:   70 18:27:04        0.020886        0.012397
FIRE:   71 18:27:04        0.020883        0.011806
FIRE:   72 18:27:04        0.020879        0.011033
FIRE:   73 18:27:04        0.020874        0.010089
FIRE:   74 18:27:04        0.020870        0.008990
FIRE:   75 18:27:04        0.020865        0.007753
FIRE:   76 18:27:04        0.020860        0.006249
FIRE:   77 18:27:04        0.020856        0.004455
FIRE:   78 18:27:04        0.020852        0.002365
FIRE:   79 18:27:04        0.020851        0.000692
.Global seed for "test/optimize/test_fire.py:test_fire" was: 9455

optimize/test_fire2.py        Step     Time          Energy          fmax
FIRE2:    0 18:27:04        0.671920        3.201902
FIRE2:    1 18:27:04        0.515629        2.629862
FIRE2:    2 18:27:04        0.311480        1.794411
FIRE2:    3 18:27:04        0.160385        1.015757
FIRE2:    4 18:27:04        0.091206        0.415417
FIRE2:    5 18:27:04        0.075082        0.317576
FIRE2:    6 18:27:04        0.073569        0.273929
FIRE2:    7 18:27:04        0.071582        0.264862
FIRE2:    8 18:27:04        0.068750        0.251600
FIRE2:    9 18:27:04        0.065235        0.234549
FIRE2:   10 18:27:04        0.061232        0.214245
FIRE2:   11 18:27:04        0.056946        0.191342
FIRE2:   12 18:27:04        0.052579        0.166620
FIRE2:   13 18:27:04        0.048309        0.163723
FIRE2:   14 18:27:04        0.044272        0.172640
FIRE2:   15 18:27:04        0.040552        0.178049
FIRE2:   16 18:27:04        0.037178        0.178531
FIRE2:   17 18:27:04        0.034135        0.172886
FIRE2:   18 18:27:04        0.031389        0.160473
FIRE2:   19 18:27:04        0.028917        0.141446
FIRE2:   20 18:27:04        0.026723        0.116759
FIRE2:   21 18:27:04        0.024842        0.088049
FIRE2:   22 18:27:04        0.023317        0.063032
FIRE2:   23 18:27:04        0.022177        0.048442
FIRE2:   24 18:27:04        0.021412        0.031773
FIRE2:   25 18:27:04        0.020980        0.014361
FIRE2:   26 18:27:04        0.020859        0.005206
FIRE2:   27 18:27:04        0.020857        0.005605
FIRE2:   28 18:27:04        0.020857        0.005561
FIRE2:   29 18:27:04        0.020857        0.005494
FIRE2:   30 18:27:04        0.020856        0.005406
FIRE2:   31 18:27:04        0.020856        0.005297
FIRE2:   32 18:27:04        0.020856        0.005167
FIRE2:   33 18:27:04        0.020856        0.005016
FIRE2:   34 18:27:04        0.020855        0.004847
FIRE2:   35 18:27:04        0.020855        0.004659
FIRE2:   36 18:27:04        0.020855        0.004453
FIRE2:   37 18:27:04        0.020855        0.004230
FIRE2:   38 18:27:04        0.020854        0.003993
FIRE2:   39 18:27:04        0.020854        0.003741
FIRE2:   40 18:27:04        0.020854        0.003477
FIRE2:   41 18:27:04        0.020853        0.003202
FIRE2:   42 18:27:04        0.020853        0.002918
FIRE2:   43 18:27:04        0.020853        0.002626
FIRE2:   44 18:27:04        0.020852        0.002330
FIRE2:   45 18:27:04        0.020852        0.002031
FIRE2:   46 18:27:04        0.020852        0.001732
FIRE2:   47 18:27:04        0.020852        0.001437
FIRE2:   48 18:27:04        0.020851        0.001136
FIRE2:   49 18:27:04        0.020851        0.000992
       Step     Time          Energy          fmax
FIRE2:    0 18:27:04        0.671920        3.201902
FIRE2:    1 18:27:04        0.221948        1.355277
FIRE2:    2 18:27:04        0.229595        0.804116
FIRE2:    3 18:27:04        0.137712        0.475664
FIRE2:    4 18:27:04        0.106949        0.362421
FIRE2:    5 18:27:04        0.069404        0.249028
FIRE2:    6 18:27:04        0.049913        0.376382
FIRE2:    7 18:27:04        0.050641        0.339832
FIRE2:    8 18:27:04        0.049602        0.329717
FIRE2:    9 18:27:04        0.047729        0.310931
FIRE2:   10 18:27:04        0.045056        0.282828
FIRE2:   11 18:27:04        0.041794        0.246280
FIRE2:   12 18:27:04        0.038246        0.203463
FIRE2:   13 18:27:04        0.034704        0.157623
FIRE2:   14 18:27:04        0.031378        0.112806
FIRE2:   15 18:27:04        0.028381        0.073344
FIRE2:   16 18:27:04        0.025775        0.061845
FIRE2:   17 18:27:04        0.023633        0.051881
FIRE2:   18 18:27:04        0.022064        0.042361
FIRE2:   19 18:27:04        0.021169        0.030411
FIRE2:   20 18:27:04        0.020906        0.010600
FIRE2:   21 18:27:04        0.020911        0.014986
FIRE2:   22 18:27:04        0.020910        0.014859
FIRE2:   23 18:27:04        0.020908        0.014620
FIRE2:   24 18:27:04        0.020905        0.014254
FIRE2:   25 18:27:04        0.020900        0.013760
FIRE2:   26 18:27:04        0.020895        0.013145
FIRE2:   27 18:27:04        0.020890        0.012422
FIRE2:   28 18:27:04        0.020885        0.011606
FIRE2:   29 18:27:04        0.020879        0.010710
FIRE2:   30 18:27:04        0.020874        0.009748
FIRE2:   31 18:27:04        0.020869        0.008730
FIRE2:   32 18:27:04        0.020865        0.007668
FIRE2:   33 18:27:04        0.020862        0.006575
FIRE2:   34 18:27:04        0.020859        0.005466
FIRE2:   35 18:27:04        0.020857        0.004365
FIRE2:   36 18:27:04        0.020855        0.003308
FIRE2:   37 18:27:04        0.020854        0.002344
FIRE2:   38 18:27:04        0.020853        0.001518
FIRE2:   39 18:27:04        0.020852        0.001269
FIRE2:   40 18:27:04        0.020852        0.000913
.Global seed for "test/optimize/test_fire2.py:test_fire2" was: 8455

optimize/test_maxstep.py        Step     Time          Energy          fmax
MDMin:    0 18:27:04        0.000000      173.205081
MDMin:    1 18:27:04        0.000000      153.205081
.Global seed for "test/optimize/test_maxstep.py:test_mdmin_maxstep" was: 368

optimize/test_minimahop.py s
optimize/test_nsteps.py       Step     Time          Energy          fmax
BFGS:    0 18:27:04        0.121392        0.761798
.Global seed for "test/optimize/test_nsteps.py:test_nsteps" was: 2569
      Step     Time          Energy          fmax
BFGS:    0 18:27:04        0.121392        0.761798
BFGS:    1 18:27:04        0.101961        0.672671
.Global seed for "test/optimize/test_nsteps.py:test_nsteps" was: 2569
      Step     Time          Energy          fmax
BFGS:    0 18:27:04        0.121392        0.761798
BFGS:    1 18:27:04        0.101961        0.672671
BFGS:    2 18:27:04        0.022522        0.192380
BFGS:    3 18:27:04        0.018866        0.182617
BFGS:    4 18:27:04        0.016902        0.165989
.Global seed for "test/optimize/test_nsteps.py:test_nsteps" was: 2569

optimize/test_optimize_stepwise.py       Step     Time          Energy          fmax
BFGS:    0 18:27:04        0.178540        0.973147
BFGS:    1 18:27:04        0.147103        0.845210
.Global seed for "test/optimize/test_optimize_stepwise.py:test_irun_start" was: 5641
      Step     Time          Energy          fmax
BFGS:    0 18:27:04        0.178540        0.973147
BFGS:    1 18:27:04        0.147103        0.845210
BFGS:    2 18:27:04        0.030918        0.246587
.Global seed for "test/optimize/test_optimize_stepwise.py:test_attach_trajectory" was: 8632

optimize/test_optimizer_restart.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimizers_restart_BFGS_0
      Step     Time          Energy          fmax
BFGS:    0 18:27:04        0.022052        2.460414
BFGS:    1 18:27:04        0.616831       14.714312
BFGS:    2 18:27:04        0.000470        0.345595
BFGS:    3 18:27:04       -0.000128        0.047532
BFGS:    4 18:27:04       -0.000363        0.072774
BFGS:    5 18:27:04       -0.000658        0.147263
BFGS:    6 18:27:04       -0.000853        0.107971
BFGS:    7 18:27:04       -0.000921        0.027543
BFGS:    8 18:27:04       -0.000947        0.018168
BFGS:    9 18:27:04       -0.000981        0.056159
BFGS:   10 18:27:05       -0.001023        0.070673
BFGS:   11 18:27:05       -0.001051        0.043094
BFGS:   12 18:27:05       -0.001060        0.009042
BFGS:   13 18:27:05       -0.001063        0.007985
BFGS:   14 18:27:05       -0.001067        0.021864
BFGS:   15 18:27:05       -0.001074        0.030240
BFGS:   16 18:27:05       -0.001079        0.022673
BFGS:   17 18:27:05       -0.001081        0.007552
BFGS:   18 18:27:05       -0.001081        0.000832
      Step     Time          Energy          fmax
BFGS:    0 18:27:05        0.022052        2.460414
BFGS:    1 18:27:05        0.616831       14.714312
BFGS:    2 18:27:05        0.000470        0.345595
      Step     Time          Energy          fmax
BFGS:    0 18:27:05        0.000470        0.345595
BFGS:    1 18:27:05       -0.000128        0.047532
BFGS:    2 18:27:05       -0.000363        0.072774
BFGS:    3 18:27:05       -0.000658        0.147263
BFGS:    4 18:27:05       -0.000853        0.107971
BFGS:    5 18:27:05       -0.000921        0.027543
BFGS:    6 18:27:05       -0.000947        0.018168
BFGS:    7 18:27:05       -0.000981        0.056159
BFGS:    8 18:27:05       -0.001023        0.070673
BFGS:    9 18:27:05       -0.001051        0.043094
BFGS:   10 18:27:05       -0.001060        0.009042
BFGS:   11 18:27:05       -0.001063        0.007985
BFGS:   12 18:27:05       -0.001067        0.021864
BFGS:   13 18:27:05       -0.001074        0.030240
BFGS:   14 18:27:05       -0.001079        0.022673
BFGS:   15 18:27:05       -0.001081        0.007552
BFGS:   16 18:27:05       -0.001081        0.000832
.Global seed for "test/optimize/test_optimizer_restart.py:test_optimizers_restart" was: 1609
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimizers_restart_CellAw0

               Step     Time          Energy             fmax            smax          volume
CellAwareBFGS:    0 18:27:05        0.022052         0.048732        0.018113      135.834624
CellAwareBFGS:    1 18:27:05        0.000568         0.053841        0.002732      133.144391
CellAwareBFGS:    2 18:27:05       -0.000071         0.047763        0.000014      133.476909
CellAwareBFGS:    3 18:27:05       -0.000285         0.041000        0.000442      133.528105
CellAwareBFGS:    4 18:27:05       -0.000815         0.016414        0.000777      133.564742
CellAwareBFGS:    5 18:27:05       -0.000890         0.015610        0.000306      133.506284
CellAwareBFGS:    6 18:27:05       -0.000922         0.015615        0.000079      133.460108
CellAwareBFGS:    7 18:27:05       -0.000958         0.013581        0.000366      133.423986
CellAwareBFGS:    8 18:27:05       -0.001010         0.009358        0.000541      133.402363
CellAwareBFGS:    9 18:27:05       -0.001045         0.006162        0.000373      133.423135
CellAwareBFGS:   10 18:27:05       -0.001057         0.005426        0.000096      133.457049
CellAwareBFGS:   11 18:27:05       -0.001060         0.005108        0.000052      133.473723
CellAwareBFGS:   12 18:27:05       -0.001065         0.004337        0.000152      133.486817

               Step     Time          Energy             fmax            smax          volume
CellAwareBFGS:    0 18:27:05        0.022052         0.048732        0.018113      135.834624
CellAwareBFGS:    1 18:27:05        0.000568         0.053841        0.002732      133.144391
CellAwareBFGS:    2 18:27:05       -0.000071         0.047763        0.000014      133.476909

               Step     Time          Energy             fmax            smax          volume
CellAwareBFGS:    0 18:27:05       -0.000071         0.047763        0.000014      133.476909
CellAwareBFGS:    1 18:27:05       -0.000285         0.041000        0.000442      133.528105
CellAwareBFGS:    2 18:27:05       -0.000815         0.016414        0.000777      133.564742
CellAwareBFGS:    3 18:27:05       -0.000890         0.015610        0.000306      133.506284
CellAwareBFGS:    4 18:27:05       -0.000922         0.015615        0.000079      133.460108
CellAwareBFGS:    5 18:27:05       -0.000958         0.013581        0.000366      133.423986
CellAwareBFGS:    6 18:27:05       -0.001010         0.009358        0.000541      133.402363
CellAwareBFGS:    7 18:27:05       -0.001045         0.006162        0.000373      133.423135
CellAwareBFGS:    8 18:27:05       -0.001057         0.005426        0.000096      133.457049
CellAwareBFGS:    9 18:27:05       -0.001060         0.005108        0.000052      133.473723
CellAwareBFGS:   10 18:27:05       -0.001065         0.004337        0.000152      133.486817
.Global seed for "test/optimize/test_optimizer_restart.py:test_optimizers_restart" was: 1609
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimizers_restart_BFGSLi0
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:27:05        0.022052       2.4604
BFGSLineSearch:    1[  2] 18:27:05        0.000331       0.1042
BFGSLineSearch:    2[  4] 18:27:05       -0.000181       0.2278
BFGSLineSearch:    3[  6] 18:27:05       -0.000852       0.0174
BFGSLineSearch:    4[  9] 18:27:05       -0.000990       0.0517
BFGSLineSearch:    5[ 10] 18:27:05       -0.001039       0.0120
BFGSLineSearch:    6[ 11] 18:27:06       -0.001047       0.0062
BFGSLineSearch:    7[ 13] 18:27:06       -0.001055       0.0142
BFGSLineSearch:    8[ 15] 18:27:06       -0.001070       0.0157
BFGSLineSearch:    9[ 17] 18:27:06       -0.001081       0.0007
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:27:06        0.022052       2.4604
BFGSLineSearch:    1[  2] 18:27:06        0.000331       0.1042
BFGSLineSearch:    2[  4] 18:27:06       -0.000181       0.2278
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:27:06       -0.000181       0.2278
BFGSLineSearch:    1[  1] 18:27:06       -0.000464       0.0354
BFGSLineSearch:    2[  3] 18:27:06       -0.000724       0.1823
BFGSLineSearch:    3[  5] 18:27:06       -0.000936       0.0151
BFGSLineSearch:    4[  8] 18:27:06       -0.001046       0.0229
BFGSLineSearch:    5[  9] 18:27:06       -0.001056       0.0055
BFGSLineSearch:    6[ 11] 18:27:06       -0.001065       0.0139
BFGSLineSearch:    7[ 13] 18:27:06       -0.001078       0.0107
BFGSLineSearch:    8[ 14] 18:27:06       -0.001080       0.0049
xGlobal seed for "test/optimize/test_optimizer_restart.py:test_optimizers_restart" was: 1609

optimize/test_optimizers.py        Step     Time          Energy          fmax
MDMin:    0 18:27:06        0.499662        1.927635
MDMin:    1 18:27:06        0.319053        1.340348
MDMin:    2 18:27:06        0.087122        0.428446
MDMin:    3 18:27:06        0.044456        0.322053
MDMin:    4 18:27:06        0.039156        0.276102
MDMin:    5 18:27:06        0.029133        0.157936
MDMin:    6 18:27:06        0.023944        0.054193
MDMin:    7 18:27:06        0.022737        0.036942
MDMin:    8 18:27:06        0.021693        0.024340
MDMin:    9 18:27:06        0.021011        0.011203
MDMin:   10 18:27:06        0.020884        0.009166
               MDMin: fmax=0.00917 eopt=0.002610 err=4.106256e-06
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
      Step     Time          Energy          fmax
FIRE:    0 18:27:06        0.499662        1.927635
FIRE:    1 18:27:06        0.401561        1.613894
FIRE:    2 18:27:06        0.259920        1.139047
FIRE:    3 18:27:06        0.135762        0.663166
FIRE:    4 18:27:06        0.063716        0.251187
FIRE:    5 18:27:06        0.052898        0.348924
FIRE:    6 18:27:06        0.052199        0.343499
FIRE:    7 18:27:06        0.050845        0.332799
FIRE:    8 18:27:06        0.048923        0.317113
FIRE:    9 18:27:06        0.046549        0.296855
FIRE:   10 18:27:06        0.043866        0.272549
FIRE:   11 18:27:06        0.041028        0.244803
FIRE:   12 18:27:06        0.038187        0.214297
FIRE:   13 18:27:06        0.035214        0.178261
FIRE:   14 18:27:06        0.032312        0.136915
FIRE:   15 18:27:06        0.029730        0.091431
FIRE:   16 18:27:06        0.027686        0.078530
FIRE:   17 18:27:06        0.026258        0.101388
FIRE:   18 18:27:06        0.025308        0.117490
FIRE:   19 18:27:06        0.024569        0.119333
FIRE:   20 18:27:06        0.023845        0.104800
FIRE:   21 18:27:06        0.023206        0.086508
FIRE:   22 18:27:06        0.023040        0.069556
FIRE:   23 18:27:06        0.022968        0.068178
FIRE:   24 18:27:06        0.022830        0.065458
FIRE:   25 18:27:06        0.022635        0.061467
FIRE:   26 18:27:06        0.022398        0.056310
FIRE:   27 18:27:06        0.022135        0.050127
FIRE:   28 18:27:06        0.021864        0.043092
FIRE:   29 18:27:06        0.021605        0.035408
FIRE:   30 18:27:06        0.021351        0.026992
FIRE:   31 18:27:06        0.021131        0.019400
FIRE:   32 18:27:06        0.020982        0.012864
FIRE:   33 18:27:06        0.020932        0.013908
FIRE:   34 18:27:06        0.020931        0.013727
FIRE:   35 18:27:06        0.020928        0.013369
FIRE:   36 18:27:06        0.020925        0.012841
FIRE:   37 18:27:06        0.020920        0.012154
FIRE:   38 18:27:06        0.020915        0.011321
FIRE:   39 18:27:06        0.020909        0.010362
FIRE:   40 18:27:06        0.020903        0.009299
                FIRE: fmax=0.00930 eopt=0.002613 err=6.528158e-06
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
       Step     Time          Energy          fmax
LBFGS:    0 18:27:06        0.499662        1.927635
LBFGS:    1 18:27:06        0.364398        1.492065
LBFGS:    2 18:27:06        0.091935        0.448059
LBFGS:    3 18:27:06        0.053779        0.195505
LBFGS:    4 18:27:06        0.047969        0.239021
LBFGS:    5 18:27:06        0.044450        0.249164
LBFGS:    6 18:27:06        0.034903        0.221707
LBFGS:    7 18:27:06        0.028112        0.141841
LBFGS:    8 18:27:06        0.025026        0.100060
LBFGS:    9 18:27:06        0.024261        0.079409
LBFGS:   10 18:27:06        0.023740        0.073331
LBFGS:   11 18:27:06        0.022873        0.066765
LBFGS:   12 18:27:06        0.021968        0.044179
LBFGS:   13 18:27:06        0.021438        0.044210
LBFGS:   14 18:27:06        0.021253        0.037007
LBFGS:   15 18:27:06        0.021142        0.030047
LBFGS:   16 18:27:06        0.021001        0.021566
LBFGS:   17 18:27:06        0.020892        0.011917
LBFGS:   18 18:27:06        0.020855        0.003385
               LBFGS: fmax=0.00338 eopt=0.002607 err=5.308066e-07
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 18:27:06        0.499662        1.927635
LBFGSLineSearch:    1 18:27:06        0.085087        0.373584
LBFGSLineSearch:    2 18:27:06        0.059585        0.220334
LBFGSLineSearch:    3 18:27:06        0.052349        0.262736
LBFGSLineSearch:    4 18:27:06        0.043732        0.305467
LBFGSLineSearch:    5 18:27:06        0.026498        0.099660
LBFGSLineSearch:    6 18:27:06        0.022715        0.066993
LBFGSLineSearch:    7 18:27:06        0.022194        0.049886
LBFGSLineSearch:    8 18:27:06        0.021867        0.050666
LBFGSLineSearch:    9 18:27:06        0.020883        0.009183
     LBFGSLineSearch: fmax=0.00918 eopt=0.002610 err=4.017159e-06
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:27:06        0.499662       1.9276
BFGSLineSearch:    1[  1] 18:27:06        0.062082       0.3248
BFGSLineSearch:    2[  3] 18:27:06        0.029244       0.1254
BFGSLineSearch:    3[  5] 18:27:06        0.022878       0.0575
BFGSLineSearch:    4[  7] 18:27:06        0.020937       0.0180
BFGSLineSearch:    5[  8] 18:27:06        0.020857       0.0048
      BFGSLineSearch: fmax=0.00480 eopt=0.002607 err=8.295435e-07
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
      Step     Time          Energy          fmax
BFGS:    0 18:27:06        0.499662        1.927635
BFGS:    1 18:27:06        0.364398        1.492065
BFGS:    2 18:27:06        0.091935        0.448059
BFGS:    3 18:27:06        0.053779        0.195505
BFGS:    4 18:27:06        0.047969        0.239021
BFGS:    5 18:27:06        0.044450        0.249164
BFGS:    6 18:27:06        0.034903        0.221707
BFGS:    7 18:27:06        0.028112        0.141841
BFGS:    8 18:27:06        0.025026        0.100060
BFGS:    9 18:27:06        0.024261        0.079409
BFGS:   10 18:27:06        0.023740        0.073331
BFGS:   11 18:27:06        0.022873        0.066765
BFGS:   12 18:27:06        0.021968        0.044179
BFGS:   13 18:27:06        0.021438        0.044210
BFGS:   14 18:27:06        0.021253        0.037007
BFGS:   15 18:27:06        0.021142        0.030047
BFGS:   16 18:27:06        0.021001        0.021566
BFGS:   17 18:27:06        0.020892        0.011917
BFGS:   18 18:27:06        0.020855        0.003385
                BFGS: fmax=0.00338 eopt=0.002607 err=5.308066e-07
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
                    Step     Time          Energy          fmax
GoodOldQuasiNewton:    0 18:27:06        0.499662        1.927635
new radius 0.024495 
eigenvalues 20.00 20.00 20.00 
Corrected Newton step: abs(D) = 0.16 
Abs Gbar estimate 7.6959055402334045
GoodOldQuasiNewton:    1 18:27:06        0.424509        1.688205
energies 0.4245088633447711 0.499662032554566
energy change; actual: -0.075153 estimated: -0.073953 
Energy prediction factor 0.016235578764288938
Force prediction factor -0.2123185179840243
Scale factors 2.744000 0.364431 
new radius 0.067214 
eigenvalues 14.03 20.00 20.00 
Corrected Newton step: abs(D) = 0.19 
Abs Gbar estimate 3.4374924625154413
GoodOldQuasiNewton:    2 18:27:06        0.261610        1.160576
energies 0.2616104322662718 0.4245088633447711
energy change; actual: -0.162898 estimated: -0.158853 
Energy prediction factor 0.025466780721145055
Force prediction factor -0.16109468062677537
Scale factors 2.744000 0.364431 
new radius 0.184435 
eigenvalues 11.87 20.00 20.00 
Newton step
Abs Gbar estimate 4.930455889269776e-32
GoodOldQuasiNewton:    3 18:27:06        0.060473        0.334064
energies 0.06047307450335282 0.2616104322662718
energy change; actual: -0.201137 estimated: -0.162543 
Energy prediction factor 0.23743791890581112
Force prediction factor -0.33873971599964064
Scale factors 1.400000 0.364431 
new radius 0.258209 
eigenvalues 8.31 20.00 20.00 
Newton step
Abs Gbar estimate 6.223015277861142e-61
GoodOldQuasiNewton:    4 18:27:06        0.035300        0.119367
energies 0.03530043192066756 0.06047307450335282
energy change; actual: -0.025173 estimated: -0.020217 
Energy prediction factor 0.2451351522403593
Force prediction factor -0.12925593263051183
Scale factors 1.400000 0.364431 
new radius 0.361493 
eigenvalues 5.92 20.00 20.00 
Newton step
Abs Gbar estimate 1.925929944387236e-34
GoodOldQuasiNewton:    5 18:27:06        0.030458        0.140469
energies 0.030458469958247747 0.03530043192066756
energy change; actual: -0.004842 estimated: -0.003387 
Energy prediction factor 0.4297610189508432
Force prediction factor 0.12957424595026598
Scale factors 1.000000 0.510204 
new radius 0.361493 
eigenvalues 3.75 18.65 20.00 
Newton step
Abs Gbar estimate 6.223015277861142e-61
GoodOldQuasiNewton:    6 18:27:06        0.026264        0.123329
energies 0.026263763741802393 0.030458469958247747
energy change; actual: -0.004195 estimated: -0.002868 
Energy prediction factor 0.4627258271718082
Force prediction factor -0.12241057820833645
Scale factors 1.000000 0.364431 
new radius 0.361493 
eigenvalues 2.59 14.98 20.00 
Newton step
Abs Gbar estimate 4.70197740328915e-38
GoodOldQuasiNewton:    7 18:27:06        0.022974        0.066574
energies 0.02297414354388927 0.026263763741802393
energy change; actual: -0.003290 estimated: -0.002493 
Energy prediction factor 0.31974182278262875
Force prediction factor -0.38764188064995375
Scale factors 1.400000 0.364431 
new radius 0.506090 
eigenvalues 2.38 11.12 20.00 
Newton step
Abs Gbar estimate 4.978412222288913e-59
GoodOldQuasiNewton:    8 18:27:06        0.021791        0.033958
energies 0.02179103857977438 0.02297414354388927
energy change; actual: -0.001183 estimated: -0.000898 
Energy prediction factor 0.3182070825262453
Force prediction factor -0.24657606397943765
Scale factors 1.400000 0.364431 
new radius 0.708526 
eigenvalues 2.43 7.60 19.75 
Newton step
Abs Gbar estimate 1.2037062152420224e-35
GoodOldQuasiNewton:    9 18:27:06        0.021330        0.029691
energies 0.02133013936349748 0.02179103857977438
energy change; actual: -0.000461 estimated: -0.000333 
Energy prediction factor 0.3859089176556916
Force prediction factor -0.11932130595732049
Scale factors 1.400000 0.364431 
new radius 0.991937 
eigenvalues 2.35 5.36 17.38 
Newton step
Abs Gbar estimate 2.8698592549372254e-42
GoodOldQuasiNewton:   10 18:27:06        0.021050        0.022799
energies 0.02105042305114857 0.02133013936349748
energy change; actual: -0.000280 estimated: -0.000201 
Energy prediction factor 0.39448564534856345
Force prediction factor -0.2772374773737478
Scale factors 1.400000 0.364431 
new radius 1.388712 
eigenvalues 2.16 4.48 13.94 
Newton step
Abs Gbar estimate 1.2037246002778743e-35
GoodOldQuasiNewton:   11 18:27:06        0.020900        0.013930
energies 0.020900146377845985 0.02105042305114857
energy change; actual: -0.000150 estimated: -0.000116 
Energy prediction factor 0.2948834722818543
Force prediction factor -0.43150308542063553
Scale factors 1.400000 0.364431 
new radius 1.944196 
eigenvalues 2.04 4.58 10.63 
Newton step
Abs Gbar estimate 6.770640622312922e-58
GoodOldQuasiNewton:   12 18:27:06        0.020860        0.005943
  GoodOldQuasiNewton: fmax=0.00594 eopt=0.002607 err=1.136351e-06
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
       Step     Time          Energy          fmax
GPMin:    0 18:27:06        0.499662        1.927635
GPMin:    1 18:27:06        0.093103        0.609455
GPMin:    2 18:27:06        0.031670        0.187698
GPMin:    3 18:27:06        0.024477        0.085030
GPMin:    4 18:27:06        0.020891        0.010534
GPMin:    5 18:27:06        0.020867        0.007148
               GPMin: fmax=0.00715 eopt=0.002608 err=2.012237e-06
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
             Step     Time          Energy          fmax
SciPyFminCG:    0 18:27:06        0.499662        1.927635
SciPyFminCG:    1 18:27:06        0.085087        0.373584
SciPyFminCG:    2 18:27:06        0.036681        0.208011
SciPyFminCG:    3 18:27:06        0.023657        0.058000
SciPyFminCG:    4 18:27:06        0.021010        0.018027
SciPyFminCG:    5 18:27:06        0.020901        0.010409
SciPyFminCG:    6 18:27:06        0.020858        0.003378
         SciPyFminCG: fmax=0.00338 eopt=0.002607 err=8.926028e-07
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
               Step     Time          Energy          fmax
SciPyFminBFGS:    0 18:27:06        0.499662        1.927635
SciPyFminBFGS:    1 18:27:06        0.364398        1.492065
SciPyFminBFGS:    2 18:27:06        0.159790        0.769981
SciPyFminBFGS:    3 18:27:06        0.059055        0.219757
SciPyFminBFGS:    4 18:27:06        0.047894        0.223623
SciPyFminBFGS:    5 18:27:06        0.044982        0.238468
SciPyFminBFGS:    6 18:27:06        0.039966        0.233720
SciPyFminBFGS:    7 18:27:06        0.032147        0.190097
SciPyFminBFGS:    8 18:27:06        0.026030        0.108531
SciPyFminBFGS:    9 18:27:06        0.024587        0.094006
SciPyFminBFGS:   10 18:27:06        0.023821        0.070044
SciPyFminBFGS:   11 18:27:06        0.023383        0.069455
SciPyFminBFGS:   12 18:27:06        0.022676        0.062149
SciPyFminBFGS:   13 18:27:06        0.021731        0.041376
SciPyFminBFGS:   14 18:27:06        0.021332        0.041253
SciPyFminBFGS:   15 18:27:06        0.021152        0.033576
SciPyFminBFGS:   16 18:27:06        0.021067        0.026847
SciPyFminBFGS:   17 18:27:06        0.020960        0.018436
SciPyFminBFGS:   18 18:27:06        0.020881        0.010042
SciPyFminBFGS:   19 18:27:06        0.020854        0.003048
       SciPyFminBFGS: fmax=0.00305 eopt=0.002607 err=3.916712e-07
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
PreconLBFGS:   0  18:27:06        0.499662       1.9276
PreconLBFGS:   1  18:27:06        0.313437       1.3213
PreconLBFGS:   2  18:27:06        0.238906       1.2761
PreconLBFGS:   3  18:27:06        0.173792       1.0306
PreconLBFGS:   4  18:27:06        0.112203       0.7124
PreconLBFGS:   5  18:27:06        0.074023       0.5475
PreconLBFGS:   6  18:27:06        0.036593       0.2970
PreconLBFGS:   7  18:27:06        0.026774       0.1518
PreconLBFGS:   8  18:27:06        0.022572       0.0723
PreconLBFGS:   9  18:27:06        0.021148       0.0266
PreconLBFGS:  10  18:27:06        0.020932       0.0157
PreconLBFGS:  11  18:27:06        0.020889       0.0083
         PreconLBFGS: fmax=0.00828 eopt=0.002611 err=4.724702e-06
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
PreconFIRE:   0  18:27:06        0.499662       1.9276
PreconFIRE:   1  18:27:06        0.401561       1.6139
PreconFIRE:   2  18:27:06        0.259947       1.1390
PreconFIRE:   3  18:27:06        0.135926       0.6632
PreconFIRE:   4  18:27:06        0.064338       0.2512
PreconFIRE:   5  18:27:06        0.056240       0.3489
PreconFIRE:   6  18:27:06        0.103124       0.3435
PreconFIRE:   7  18:27:06        0.050845       0.3328
PreconFIRE:   8  18:27:06        0.048923       0.3171
PreconFIRE:   9  18:27:06        0.046549       0.2969
PreconFIRE:  10  18:27:06        0.043867       0.2725
PreconFIRE:  11  18:27:06        0.041030       0.2448
PreconFIRE:  12  18:27:06        0.038192       0.2143
PreconFIRE:  13  18:27:06        0.035494       0.1783
PreconFIRE:  14  18:27:06        0.032585       0.1369
PreconFIRE:  15  18:27:06        0.029988       0.0914
PreconFIRE:  16  18:27:06        0.027945       0.0785
PreconFIRE:  17  18:27:06        0.026567       0.1014
PreconFIRE:  18  18:27:06        0.025704       0.1175
PreconFIRE:  19  18:27:06        0.025031       0.1193
PreconFIRE:  20  18:27:06        0.024315       0.1048
PreconFIRE:  21  18:27:06        0.023616       0.0865
PreconFIRE:  22  18:27:06        0.023351       0.0845
PreconFIRE:  23  18:27:06        0.022941       0.0806
PreconFIRE:  24  18:27:06        0.022700       0.0749
PreconFIRE:  25  18:27:06        0.022411       0.0676
PreconFIRE:  26  18:27:06        0.022099       0.0588
PreconFIRE:  27  18:27:06        0.021789       0.0489
PreconFIRE:  28  18:27:06        0.021507       0.0383
PreconFIRE:  29  18:27:06        0.021273       0.0264
PreconFIRE:  30  18:27:06        0.021074       0.0174
PreconFIRE:  31  18:27:06        0.020974       0.0176
PreconFIRE:  32  18:27:06        0.020990       0.0174
PreconFIRE:  33  18:27:06        0.020954       0.0171
PreconFIRE:  34  18:27:06        0.020949       0.0166
PreconFIRE:  35  18:27:06        0.020943       0.0159
PreconFIRE:  36  18:27:06        0.020935       0.0150
PreconFIRE:  37  18:27:06        0.020926       0.0141
PreconFIRE:  38  18:27:06        0.020917       0.0129
PreconFIRE:  39  18:27:06        0.020907       0.0116
PreconFIRE:  40  18:27:06        0.020896       0.0100
          PreconFIRE: fmax=0.00998 eopt=0.002612 err=5.478418e-06
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
        Step     Time          Energy          fmax
ODE12r:    0 18:27:06        0.499662        1.927635
ODE12r:    1 18:27:06        0.237276        1.054070
ODE12r:    2 18:27:06        0.188777        0.882650
ODE12r:    3 18:27:06        0.137932        0.687776
ODE12r:    4 18:27:06        0.101906        0.532356
ODE12r:    5 18:27:06        0.075921        0.402138
ODE12r:    6 18:27:06        0.057965        0.294872
ODE12r:    7 18:27:06        0.045862        0.208133
ODE12r:    8 18:27:06        0.037743        0.140361
ODE12r:    9 18:27:06        0.032144        0.100610
ODE12r:   10 18:27:06        0.028082        0.076125
ODE12r:   11 18:27:06        0.025029        0.056939
ODE12r:   12 18:27:06        0.022797        0.037478
ODE12r:   13 18:27:06        0.021576        0.022659
ODE12r:   14 18:27:06        0.021038        0.011418
ODE12r:   15 18:27:06        0.020874        0.004143
              ODE12r: fmax=0.00414 eopt=0.002609 err=2.909321e-06
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
              Step     Time          Energy          fmax
PreconODE12r:    0 18:27:06        0.499662        1.927635
PreconODE12r:    1 18:27:06        0.234255        1.045280
PreconODE12r:    2 18:27:06        0.186287        0.875124
PreconODE12r:    3 18:27:06        0.135811        0.680479
PreconODE12r:    4 18:27:06        0.100261        0.525716
PreconODE12r:    5 18:27:07        0.074715        0.396284
PreconODE12r:    6 18:27:07        0.057104        0.289985
PreconODE12r:    7 18:27:07        0.045214        0.204346
PreconODE12r:    8 18:27:07        0.037180        0.137696
PreconODE12r:    9 18:27:07        0.031583        0.097491
PreconODE12r:   10 18:27:07        0.027511        0.073400
PreconODE12r:   11 18:27:07        0.024509        0.054629
PreconODE12r:   12 18:27:07        0.022459        0.033984
PreconODE12r:   13 18:27:07        0.021416        0.019887
PreconODE12r:   14 18:27:07        0.020983        0.009656
        PreconODE12r: fmax=0.00966 eopt=0.002623 err=1.656359e-05
.Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
       Step     Time          Energy          fmax
MDMin:    0 18:27:07        0.499662        1.927635
MDMin:    1 18:27:07        0.319053        1.340348
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
      Step     Time          Energy          fmax
FIRE:    0 18:27:07        0.499662        1.927635
FIRE:    1 18:27:07        0.401561        1.613894
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
       Step     Time          Energy          fmax
LBFGS:    0 18:27:07        0.499662        1.927635
LBFGS:    1 18:27:07        0.364398        1.492065
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 18:27:07        0.499662        1.927635
LBFGSLineSearch:    1 18:27:07        0.085087        0.373584
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:27:07        0.499662       1.9276
BFGSLineSearch:    1[  1] 18:27:07        0.062082       0.3248
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
      Step     Time          Energy          fmax
BFGS:    0 18:27:07        0.499662        1.927635
BFGS:    1 18:27:07        0.364398        1.492065
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
                    Step     Time          Energy          fmax
GoodOldQuasiNewton:    0 18:27:07        0.499662        1.927635
new radius 0.024495 
eigenvalues 20.00 20.00 20.00 
Corrected Newton step: abs(D) = 0.16 
Abs Gbar estimate 7.6959055402334045
GoodOldQuasiNewton:    1 18:27:07        0.424509        1.688205
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
       Step     Time          Energy          fmax
GPMin:    0 18:27:07        0.499662        1.927635
GPMin:    1 18:27:07        0.093103        0.609455
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
             Step     Time          Energy          fmax
SciPyFminCG:    0 18:27:07        0.499662        1.927635
SciPyFminCG:    1 18:27:07        0.085087        0.373584
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
               Step     Time          Energy          fmax
SciPyFminBFGS:    0 18:27:07        0.499662        1.927635
SciPyFminBFGS:    1 18:27:07        0.364398        1.492065
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
PreconLBFGS:   0  18:27:07        0.499662       1.9276
PreconLBFGS:   1  18:27:07        0.313437       1.3213
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
PreconFIRE:   0  18:27:07        0.499662       1.9276
PreconFIRE:   1  18:27:07        0.401561       1.6139
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
        Step     Time          Energy          fmax
ODE12r:    0 18:27:07        0.499662        1.927635
ODE12r:    1 18:27:07        0.237276        1.054070
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
              Step     Time          Energy          fmax
PreconODE12r:    0 18:27:07        0.499662        1.927635
PreconODE12r:    1 18:27:07        0.234255        1.045280
.Global seed for "test/optimize/test_optimizers.py:test_unconverged" was: 7691
       Step     Time          Energy          fmax
MDMin:    0 18:27:07        0.499662        1.927635
MDMin:    1 18:27:07        0.319053        1.340348
MDMin:    2 18:27:07        0.087122        0.428446
MDMin:    3 18:27:07        0.044456        0.322053
MDMin:    4 18:27:07        0.039156        0.276102
MDMin:    5 18:27:07        0.029133        0.157936
MDMin:    6 18:27:07        0.023944        0.054193
MDMin:    7 18:27:07        0.022737        0.036942
MDMin:    8 18:27:07        0.021693        0.024340
MDMin:    9 18:27:07        0.021011        0.011203
MDMin:   10 18:27:07        0.020884        0.009166
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
      Step     Time          Energy          fmax
FIRE:    0 18:27:07        0.499662        1.927635
FIRE:    1 18:27:07        0.401561        1.613894
FIRE:    2 18:27:07        0.259920        1.139047
FIRE:    3 18:27:07        0.135762        0.663166
FIRE:    4 18:27:07        0.063716        0.251187
FIRE:    5 18:27:07        0.052898        0.348924
FIRE:    6 18:27:07        0.052199        0.343499
FIRE:    7 18:27:07        0.050845        0.332799
FIRE:    8 18:27:07        0.048923        0.317113
FIRE:    9 18:27:07        0.046549        0.296855
FIRE:   10 18:27:07        0.043866        0.272549
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
       Step     Time          Energy          fmax
LBFGS:    0 18:27:07        0.499662        1.927635
LBFGS:    1 18:27:07        0.364398        1.492065
LBFGS:    2 18:27:07        0.091935        0.448059
LBFGS:    3 18:27:07        0.053779        0.195505
LBFGS:    4 18:27:07        0.047969        0.239021
LBFGS:    5 18:27:07        0.044450        0.249164
LBFGS:    6 18:27:07        0.034903        0.221707
LBFGS:    7 18:27:07        0.028112        0.141841
LBFGS:    8 18:27:07        0.025026        0.100060
LBFGS:    9 18:27:07        0.024261        0.079409
LBFGS:   10 18:27:07        0.023740        0.073331
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 18:27:07        0.499662        1.927635
LBFGSLineSearch:    1 18:27:07        0.085087        0.373584
LBFGSLineSearch:    2 18:27:07        0.059585        0.220334
LBFGSLineSearch:    3 18:27:07        0.052349        0.262736
LBFGSLineSearch:    4 18:27:07        0.043732        0.305467
LBFGSLineSearch:    5 18:27:07        0.026498        0.099660
LBFGSLineSearch:    6 18:27:07        0.022715        0.066993
LBFGSLineSearch:    7 18:27:07        0.022194        0.049886
LBFGSLineSearch:    8 18:27:07        0.021867        0.050666
LBFGSLineSearch:    9 18:27:07        0.020883        0.009183
LBFGSLineSearch:   10 18:27:07        0.020852        0.002410
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:27:07        0.499662       1.9276
BFGSLineSearch:    1[  1] 18:27:07        0.062082       0.3248
BFGSLineSearch:    2[  3] 18:27:07        0.029244       0.1254
BFGSLineSearch:    3[  5] 18:27:07        0.022878       0.0575
BFGSLineSearch:    4[  7] 18:27:07        0.020937       0.0180
BFGSLineSearch:    5[  8] 18:27:07        0.020857       0.0048
BFGSLineSearch:    6[  9] 18:27:07        0.020851       0.0004
BFGSLineSearch:    7[ 11] 18:27:07        0.020851       0.0002
BFGSLineSearch:    8[ 12] 18:27:07        0.020851       0.0001
BFGSLineSearch:    9[ 13] 18:27:07        0.020851       0.0001
BFGSLineSearch:   10[ 14] 18:27:07        0.020851       0.0000
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
      Step     Time          Energy          fmax
BFGS:    0 18:27:07        0.499662        1.927635
BFGS:    1 18:27:07        0.364398        1.492065
BFGS:    2 18:27:07        0.091935        0.448059
BFGS:    3 18:27:07        0.053779        0.195505
BFGS:    4 18:27:07        0.047969        0.239021
BFGS:    5 18:27:07        0.044450        0.249164
BFGS:    6 18:27:07        0.034903        0.221707
BFGS:    7 18:27:07        0.028112        0.141841
BFGS:    8 18:27:07        0.025026        0.100060
BFGS:    9 18:27:07        0.024261        0.079409
BFGS:   10 18:27:07        0.023740        0.073331
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
                    Step     Time          Energy          fmax
GoodOldQuasiNewton:    0 18:27:07        0.499662        1.927635
new radius 0.024495 
eigenvalues 20.00 20.00 20.00 
Corrected Newton step: abs(D) = 0.16 
Abs Gbar estimate 7.6959055402334045
GoodOldQuasiNewton:    1 18:27:07        0.424509        1.688205
energies 0.4245088633447711 0.499662032554566
energy change; actual: -0.075153 estimated: -0.073953 
Energy prediction factor 0.016235578764288938
Force prediction factor -0.2123185179840243
Scale factors 2.744000 0.364431 
new radius 0.067214 
eigenvalues 14.03 20.00 20.00 
Corrected Newton step: abs(D) = 0.19 
Abs Gbar estimate 3.4374924625154413
GoodOldQuasiNewton:    2 18:27:07        0.261610        1.160576
energies 0.2616104322662718 0.4245088633447711
energy change; actual: -0.162898 estimated: -0.158853 
Energy prediction factor 0.025466780721145055
Force prediction factor -0.16109468062677537
Scale factors 2.744000 0.364431 
new radius 0.184435 
eigenvalues 11.87 20.00 20.00 
Newton step
Abs Gbar estimate 4.930455889269776e-32
GoodOldQuasiNewton:    3 18:27:07        0.060473        0.334064
energies 0.06047307450335282 0.2616104322662718
energy change; actual: -0.201137 estimated: -0.162543 
Energy prediction factor 0.23743791890581112
Force prediction factor -0.33873971599964064
Scale factors 1.400000 0.364431 
new radius 0.258209 
eigenvalues 8.31 20.00 20.00 
Newton step
Abs Gbar estimate 6.223015277861142e-61
GoodOldQuasiNewton:    4 18:27:07        0.035300        0.119367
energies 0.03530043192066756 0.06047307450335282
energy change; actual: -0.025173 estimated: -0.020217 
Energy prediction factor 0.2451351522403593
Force prediction factor -0.12925593263051183
Scale factors 1.400000 0.364431 
new radius 0.361493 
eigenvalues 5.92 20.00 20.00 
Newton step
Abs Gbar estimate 1.925929944387236e-34
GoodOldQuasiNewton:    5 18:27:07        0.030458        0.140469
energies 0.030458469958247747 0.03530043192066756
energy change; actual: -0.004842 estimated: -0.003387 
Energy prediction factor 0.4297610189508432
Force prediction factor 0.12957424595026598
Scale factors 1.000000 0.510204 
new radius 0.361493 
eigenvalues 3.75 18.65 20.00 
Newton step
Abs Gbar estimate 6.223015277861142e-61
GoodOldQuasiNewton:    6 18:27:07        0.026264        0.123329
energies 0.026263763741802393 0.030458469958247747
energy change; actual: -0.004195 estimated: -0.002868 
Energy prediction factor 0.4627258271718082
Force prediction factor -0.12241057820833645
Scale factors 1.000000 0.364431 
new radius 0.361493 
eigenvalues 2.59 14.98 20.00 
Newton step
Abs Gbar estimate 4.70197740328915e-38
GoodOldQuasiNewton:    7 18:27:07        0.022974        0.066574
energies 0.02297414354388927 0.026263763741802393
energy change; actual: -0.003290 estimated: -0.002493 
Energy prediction factor 0.31974182278262875
Force prediction factor -0.38764188064995375
Scale factors 1.400000 0.364431 
new radius 0.506090 
eigenvalues 2.38 11.12 20.00 
Newton step
Abs Gbar estimate 4.978412222288913e-59
GoodOldQuasiNewton:    8 18:27:07        0.021791        0.033958
energies 0.02179103857977438 0.02297414354388927
energy change; actual: -0.001183 estimated: -0.000898 
Energy prediction factor 0.3182070825262453
Force prediction factor -0.24657606397943765
Scale factors 1.400000 0.364431 
new radius 0.708526 
eigenvalues 2.43 7.60 19.75 
Newton step
Abs Gbar estimate 1.2037062152420224e-35
GoodOldQuasiNewton:    9 18:27:07        0.021330        0.029691
energies 0.02133013936349748 0.02179103857977438
energy change; actual: -0.000461 estimated: -0.000333 
Energy prediction factor 0.3859089176556916
Force prediction factor -0.11932130595732049
Scale factors 1.400000 0.364431 
new radius 0.991937 
eigenvalues 2.35 5.36 17.38 
Newton step
Abs Gbar estimate 2.8698592549372254e-42
GoodOldQuasiNewton:   10 18:27:07        0.021050        0.022799
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
       Step     Time          Energy          fmax
GPMin:    0 18:27:07        0.499662        1.927635
GPMin:    1 18:27:07        0.093103        0.609455
GPMin:    2 18:27:07        0.031670        0.187698
GPMin:    3 18:27:07        0.024477        0.085030
GPMin:    4 18:27:07        0.020891        0.010534
GPMin:    5 18:27:07        0.020867        0.007148
GPMin:    6 18:27:07        0.020852        0.002151
GPMin:    7 18:27:07        0.020851        0.000710
GPMin:    8 18:27:07        0.020851        0.000465
GPMin:    9 18:27:07        0.020851        0.000067
GPMin:   10 18:27:07        0.020851        0.000039
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
             Step     Time          Energy          fmax
SciPyFminCG:    0 18:27:07        0.499662        1.927635
SciPyFminCG:    1 18:27:07        0.085087        0.373584
SciPyFminCG:    2 18:27:07        0.036681        0.208011
SciPyFminCG:    3 18:27:07        0.023657        0.058000
SciPyFminCG:    4 18:27:07        0.021010        0.018027
SciPyFminCG:    5 18:27:07        0.020901        0.010409
SciPyFminCG:    6 18:27:07        0.020870        0.006426
SciPyFminCG:    7 18:27:07        0.020852        0.001165
SciPyFminCG:    8 18:27:07        0.020851        0.000369
SciPyFminCG:    9 18:27:07        0.020851        0.000145
SciPyFminCG:   10 18:27:07        0.020851        0.000038
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
               Step     Time          Energy          fmax
SciPyFminBFGS:    0 18:27:07        0.499662        1.927635
SciPyFminBFGS:    1 18:27:07        0.364398        1.492065
SciPyFminBFGS:    2 18:27:07        0.159790        0.769981
SciPyFminBFGS:    3 18:27:07        0.059055        0.219757
SciPyFminBFGS:    4 18:27:07        0.047894        0.223623
SciPyFminBFGS:    5 18:27:07        0.044982        0.238468
SciPyFminBFGS:    6 18:27:07        0.036142        0.158441
SciPyFminBFGS:    7 18:27:07        0.026902        0.121496
SciPyFminBFGS:    8 18:27:07        0.026280        0.118912
SciPyFminBFGS:    9 18:27:07        0.025127        0.105461
SciPyFminBFGS:   10 18:27:07        0.023220        0.072192
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
PreconLBFGS:   0  18:27:07        0.499662       1.9276
PreconLBFGS:   1  18:27:07        0.313437       1.3213
PreconLBFGS:   2  18:27:07        0.238906       1.2761
PreconLBFGS:   3  18:27:07        0.173792       1.0306
PreconLBFGS:   4  18:27:07        0.112203       0.7124
PreconLBFGS:   5  18:27:07        0.074023       0.5475
PreconLBFGS:   6  18:27:07        0.036593       0.2970
PreconLBFGS:   7  18:27:07        0.026774       0.1518
PreconLBFGS:   8  18:27:07        0.022572       0.0723
PreconLBFGS:   9  18:27:07        0.021148       0.0266
PreconLBFGS:  10  18:27:07        0.020932       0.0157
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
PreconFIRE:   0  18:27:07        0.499662       1.9276
PreconFIRE:   1  18:27:07        0.401561       1.6139
PreconFIRE:   2  18:27:07        0.259947       1.1390
PreconFIRE:   3  18:27:07        0.135926       0.6632
PreconFIRE:   4  18:27:07        0.064338       0.2512
PreconFIRE:   5  18:27:07        0.056240       0.3489
PreconFIRE:   6  18:27:07        0.103124       0.3435
PreconFIRE:   7  18:27:07        0.050845       0.3328
PreconFIRE:   8  18:27:07        0.048923       0.3171
PreconFIRE:   9  18:27:07        0.046549       0.2969
PreconFIRE:  10  18:27:07        0.043867       0.2725
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
        Step     Time          Energy          fmax
ODE12r:    0 18:27:07        0.499662        1.927635
ODE12r:    1 18:27:07        0.237276        1.054070
ODE12r:    2 18:27:07        0.188777        0.882650
ODE12r:    3 18:27:07        0.137932        0.687776
ODE12r:    4 18:27:07        0.101906        0.532356
ODE12r:    5 18:27:07        0.075921        0.402138
ODE12r:    6 18:27:07        0.034540        0.161995
ODE12r:    7 18:27:07        0.031545        0.129526
ODE12r:    8 18:27:07        0.027483        0.081842
ODE12r:    9 18:27:07        0.024813        0.054976
ODE12r:   10 18:27:07        0.022668        0.036201
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265
              Step     Time          Energy          fmax
PreconODE12r:    0 18:27:07        0.499662        1.927635
PreconODE12r:    1 18:27:07        0.234255        1.045280
PreconODE12r:    2 18:27:07        0.186287        0.875124
PreconODE12r:    3 18:27:07        0.135811        0.680479
PreconODE12r:    4 18:27:07        0.100261        0.525716
PreconODE12r:    5 18:27:07        0.074715        0.396284
PreconODE12r:    6 18:27:07        0.034258        0.168999
PreconODE12r:    7 18:27:07        0.031059        0.132331
PreconODE12r:    8 18:27:07        0.027151        0.083497
PreconODE12r:    9 18:27:07        0.024577        0.055275
PreconODE12r:   10 18:27:07        0.022558        0.035073
.Global seed for "test/optimize/test_optimizers.py:test_run_twice" was: 9265

optimize/test_replay.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_replay0
[FixAtoms(indices=[0, 1, 2, 3])]
.Global seed for "test/optimize/test_replay.py:test_replay" was: 12142

precon/test_amin.py PreconLBFGS:   0  18:27:07      -61.653501       0.0000       0.2810
PreconLBFGS:   1  18:27:07      -61.968185       0.0000       0.2473
PreconLBFGS:   2  18:27:07      -62.222985       0.0000       0.2268
PreconLBFGS:   3  18:27:07      -62.446557       0.0000       0.2084
PreconLBFGS:   4  18:27:07      -62.645778       0.0000       0.1893
PreconLBFGS:   5  18:27:07      -62.825438       0.0000       0.1716
PreconLBFGS:   6  18:27:07      -62.983353       0.0000       0.1519
PreconLBFGS:   7  18:27:07      -63.123980       0.0000       0.1308
PreconLBFGS:   8  18:27:07      -63.244731       0.0000       0.1086
PreconLBFGS:   9  18:27:07      -63.344426       0.0000       0.0849
PreconLBFGS:  10  18:27:07      -63.421503       0.0000       0.0599
PreconLBFGS:  11  18:27:07      -63.474076       0.0000       0.0336
PreconLBFGS:  12  18:27:07      -63.501469       0.0000       0.0108
PreconLBFGS:  13  18:27:07      -63.502371       0.0000       0.0057
PreconLBFGS:  14  18:27:07      -63.503103       0.0000       0.0031
PreconLBFGS:  15  18:27:07      -63.503196       0.0000       0.0014
PreconLBFGS:  16  18:27:07      -63.503229       0.0000       0.0003
PreconLBFGS:  17  18:27:07      -63.503230       0.0000       0.0002
PreconLBFGS:  18  18:27:07      -63.503231       0.0000       0.0001
PreconLBFGS:  19  18:27:07      -63.503231       0.0000       0.0000
PreconLBFGS:   0  18:27:07      -61.653501       0.0000       0.2810
PreconLBFGS:   1  18:27:07      -61.968185       0.0000       0.2473
PreconLBFGS:   2  18:27:07      -62.222985       0.0000       0.2268
PreconLBFGS:   3  18:27:07      -62.446557       0.0000       0.2084
PreconLBFGS:   4  18:27:07      -62.645778       0.0000       0.1893
PreconLBFGS:   5  18:27:07      -62.825438       0.0000       0.1716
PreconLBFGS:   6  18:27:07      -62.983353       0.0000       0.1519
PreconLBFGS:   7  18:27:08      -63.123980       0.0000       0.1308
PreconLBFGS:   8  18:27:08      -63.244731       0.0000       0.1086
PreconLBFGS:   9  18:27:08      -63.344426       0.0000       0.0849
PreconLBFGS:  10  18:27:08      -63.421503       0.0000       0.0599
PreconLBFGS:  11  18:27:08      -63.474076       0.0000       0.0336
PreconLBFGS:  12  18:27:08      -63.501469       0.0000       0.0108
PreconLBFGS:  13  18:27:08      -63.502371       0.0000       0.0057
PreconLBFGS:  14  18:27:08      -63.503103       0.0000       0.0031
PreconLBFGS:  15  18:27:08      -63.503196       0.0000       0.0014
PreconLBFGS:  16  18:27:08      -63.503229       0.0000       0.0003
PreconLBFGS:  17  18:27:08      -63.503230       0.0000       0.0002
PreconLBFGS:  18  18:27:08      -63.503231       0.0000       0.0001
PreconLBFGS:  19  18:27:08      -63.503231       0.0000       0.0000
PreconLBFGS:   0  18:27:08      -61.653501       0.0000       0.2810
PreconLBFGS:   1  18:27:08      -63.056494       0.0000       0.1801
PreconLBFGS:   2  18:27:08      -63.342215       0.0000       0.0978
PreconLBFGS:   3  18:27:08      -63.438300       0.0000       0.0515
PreconLBFGS:   4  18:27:08      -63.485733       0.0000       0.0272
PreconLBFGS:   5  18:27:08      -63.498985       0.0000       0.0145
PreconLBFGS:   6  18:27:08      -63.503021       0.0000       0.0025
PreconLBFGS:   7  18:27:08      -63.503186       0.0000       0.0016
PreconLBFGS:   8  18:27:08      -63.503221       0.0000       0.0007
PreconLBFGS:   9  18:27:08      -63.503230       0.0000       0.0003
PreconLBFGS:  10  18:27:08      -63.503231       0.0000       0.0000
PreconLBFGS:   0  18:27:08      -61.653501       0.0000       0.2810
PreconLBFGS:   1  18:27:08      -63.056494       0.0000       0.1801
PreconLBFGS:   2  18:27:08      -63.342215       0.0000       0.0978
PreconLBFGS:   3  18:27:08      -63.438300       0.0000       0.0515
PreconLBFGS:   4  18:27:08      -63.485733       0.0000       0.0272
PreconLBFGS:   5  18:27:08      -63.498985       0.0000       0.0145
PreconLBFGS:   6  18:27:08      -63.503021       0.0000       0.0025
PreconLBFGS:   7  18:27:08      -63.503186       0.0000       0.0016
PreconLBFGS:   8  18:27:08      -63.503221       0.0000       0.0007
PreconLBFGS:   9  18:27:08      -63.503230       0.0000       0.0003
PreconLBFGS:  10  18:27:08      -63.503231       0.0000       0.0000
.Global seed for "test/precon/test_amin.py:test_precon_amin" was: 5244

precon/test_ff_and_precon_c60.py PreconLBFGS:   0  18:27:14       32.155131      16.5634
PreconLBFGS:   1  18:27:14       26.037912      12.3772
PreconLBFGS:   2  18:27:15       22.061769       9.0889
PreconLBFGS:   3  18:27:15       19.677147       6.4248
PreconLBFGS:   4  18:27:16       18.306168       4.2335
PreconLBFGS:   5  18:27:16       17.265063       0.6127
PreconLBFGS:   6  18:27:17       17.240080       0.1004
PreconLBFGS:   7  18:27:17       17.238569       0.0145
.Global seed for "test/precon/test_ff_and_precon_c60.py:test_opt_with_precon" was: 3216

precon/test_lbfgs.py PreconLBFGS:   0  18:27:17       -0.022081       0.0715
PreconLBFGS:   1  18:27:17       -0.022726       0.0000
PreconLBFGS:   0  18:27:17       -0.022081       0.0715
PreconLBFGS:   1  18:27:17       -0.022703       0.0134
PreconLBFGS:   2  18:27:17       -0.022726       0.0000
PreconFIRE:   0  18:27:17       -0.022081       0.0715
PreconFIRE:   1  18:27:17       -0.022269       0.0602
PreconFIRE:   2  18:27:17       -0.022531       0.0393
PreconFIRE:   3  18:27:17       -0.022707       0.0122
PreconFIRE:   4  18:27:17       -0.022690       0.0117
PreconFIRE:   5  18:27:17       -0.022711       0.0108
PreconFIRE:   6  18:27:17       -0.022715       0.0094
PreconFIRE:   7  18:27:17       -0.022719       0.0077
PreconFIRE:   8  18:27:17       -0.022722       0.0056
PreconFIRE:   9  18:27:17       -0.022725       0.0033
PreconFIRE:  10  18:27:17       -0.022726       0.0009
PreconFIRE:  11  18:27:17       -0.022726       0.0009
PreconFIRE:  12  18:27:17       -0.022726       0.0009
PreconFIRE:  13  18:27:17       -0.022726       0.0009
PreconFIRE:  14  18:27:17       -0.022726       0.0008
PreconFIRE:  15  18:27:17       -0.022726       0.0008
PreconFIRE:  16  18:27:17       -0.022726       0.0007
PreconFIRE:  17  18:27:17       -0.022726       0.0007
PreconFIRE:  18  18:27:17       -0.022726       0.0006
PreconFIRE:  19  18:27:17       -0.022726       0.0005
PreconFIRE:  20  18:27:17       -0.022726       0.0004
PreconFIRE:  21  18:27:17       -0.022726       0.0003
PreconFIRE:  22  18:27:17       -0.022726       0.0001
PreconFIRE:  23  18:27:17       -0.022726       0.0000
PreconFIRE:   0  18:27:17       -0.022081       0.0715
PreconFIRE:   1  18:27:17       -0.022091       0.0709
PreconFIRE:   2  18:27:17       -0.022112       0.0698
PreconFIRE:   3  18:27:17       -0.022142       0.0680
PreconFIRE:   4  18:27:17       -0.022180       0.0658
PreconFIRE:   5  18:27:17       -0.022226       0.0629
PreconFIRE:   6  18:27:17       -0.022277       0.0596
PreconFIRE:   7  18:27:17       -0.022333       0.0558
PreconFIRE:   8  18:27:17       -0.022391       0.0511
PreconFIRE:   9  18:27:17       -0.022461       0.0453
PreconFIRE:  10  18:27:17       -0.022535       0.0382
PreconFIRE:  11  18:27:17       -0.022608       0.0298
PreconFIRE:  12  18:27:17       -0.022671       0.0199
PreconFIRE:  13  18:27:17       -0.022714       0.0085
PreconFIRE:  14  18:27:17       -0.022725       0.0043
PreconFIRE:  15  18:27:17       -0.022690       0.0043
PreconFIRE:  16  18:27:17       -0.022724       0.0042
PreconFIRE:  17  18:27:17       -0.022724       0.0041
PreconFIRE:  18  18:27:17       -0.022724       0.0040
PreconFIRE:  19  18:27:17       -0.022724       0.0038
PreconFIRE:  20  18:27:17       -0.022724       0.0036
PreconFIRE:  21  18:27:17       -0.022725       0.0034
PreconFIRE:  22  18:27:17       -0.022725       0.0031
PreconFIRE:  23  18:27:17       -0.022725       0.0028
PreconFIRE:  24  18:27:17       -0.022725       0.0024
PreconFIRE:  25  18:27:17       -0.022726       0.0019
PreconFIRE:  26  18:27:17       -0.022726       0.0013
PreconFIRE:  27  18:27:17       -0.022726       0.0007
PreconFIRE:  28  18:27:17       -0.022726       0.0001
PreconLBFGS:   0  18:27:17        1.064233       0.9446
PreconLBFGS:   1  18:27:17        1.007832       0.5911
PreconLBFGS:   2  18:27:17        0.998245       0.6037
PreconLBFGS:   3  18:27:17        0.982392       0.4287
PreconLBFGS:   4  18:27:17        0.973405       0.3393
PreconLBFGS:   5  18:27:17        0.969136       0.2302
PreconLBFGS:   6  18:27:17        0.964542       0.1244
PreconLBFGS:   7  18:27:17        0.962105       0.0440
PreconLBFGS:   8  18:27:17        0.961910       0.0343
PreconLBFGS:   9  18:27:17        0.961799       0.0229
PreconLBFGS:  10  18:27:17        0.961755       0.0152
PreconLBFGS:  11  18:27:17        0.961715       0.0094
PreconLBFGS:  12  18:27:17        0.961700       0.0036
PreconLBFGS:  13  18:27:17        0.961698       0.0021
PreconLBFGS:  14  18:27:17        0.961697       0.0012
PreconLBFGS:  15  18:27:17        0.961697       0.0005
PreconLBFGS:   0  18:27:17        1.064233       0.9446
PreconLBFGS:   1  18:27:17        0.996307       0.4980
PreconLBFGS:   2  18:27:17        0.963126       0.0718
PreconLBFGS:   3  18:27:17        0.962127       0.0355
PreconLBFGS:   4  18:27:17        0.961878       0.0258
PreconLBFGS:   5  18:27:17        0.961744       0.0127
PreconLBFGS:   6  18:27:17        0.961714       0.0072
PreconLBFGS:   7  18:27:17        0.961705       0.0043
PreconLBFGS:   8  18:27:17        0.961700       0.0039
PreconLBFGS:   9  18:27:17        0.961698       0.0017
PreconLBFGS:  10  18:27:17        0.961697       0.0005
.Global seed for "test/precon/test_lbfgs.py:test_preconlbfgs" was: 7425

precon/test_precon_assembly.py .Global seed for "test/precon/test_precon_assembly.py:test_assembly_ref_atoms" was: 8052
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_ref_atoms" was: 8052
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_ref_atoms" was: 8052
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_ref_atoms" was: 8052
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_ref_atoms" was: 8052
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_ref_atoms" was: 8052
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_atoms" was: 1330
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_atoms" was: 1330
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_atoms" was: 1330
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_atoms" was: 1330
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_atoms" was: 1330
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_atoms" was: 1330
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_var_cell" was: 8291
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_var_cell" was: 8291
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_var_cell" was: 8291
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_var_cell" was: 8291
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_var_cell" was: 8291
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_var_cell" was: 8291
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_fixed_atoms" was: 6311
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_fixed_atoms" was: 6311
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_fixed_atoms" was: 6311
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_fixed_atoms" was: 6311
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_fixed_atoms" was: 6311
.Global seed for "test/precon/test_precon_assembly.py:test_assembly_fixed_atoms" was: 6311
|F| = 1.153 |F|_P = 1.153
.Global seed for "test/precon/test_precon_assembly.py:test_apply_atoms" was: 7158
|F| = 1.153 |F|_P = 0.024
.Global seed for "test/precon/test_precon_assembly.py:test_apply_atoms" was: 7158
|F| = 1.153 |F|_P = 0.072
.Global seed for "test/precon/test_precon_assembly.py:test_apply_atoms" was: 7158
|F| = 1.153 |F|_P = 0.165
.Global seed for "test/precon/test_precon_assembly.py:test_apply_atoms" was: 7158
|F| = 1.153 |F|_P = 0.103
.Global seed for "test/precon/test_precon_assembly.py:test_apply_atoms" was: 7158
|F| = 1.153 |F|_P = 0.103
.Global seed for "test/precon/test_precon_assembly.py:test_apply_atoms" was: 7158
|F| = 1.153 |F|_P = 1.153
.Global seed for "test/precon/test_precon_assembly.py:test_apply_fixed_atoms" was: 4660
|F| = 1.153 |F|_P = 0.035
.Global seed for "test/precon/test_precon_assembly.py:test_apply_fixed_atoms" was: 4660
|F| = 1.153 |F|_P = 0.105
.Global seed for "test/precon/test_precon_assembly.py:test_apply_fixed_atoms" was: 4660
|F| = 1.153 |F|_P = 0.165
.Global seed for "test/precon/test_precon_assembly.py:test_apply_fixed_atoms" was: 4660
|F| = 1.153 |F|_P = 0.369
.Global seed for "test/precon/test_precon_assembly.py:test_apply_fixed_atoms" was: 4660
|F| = 1.153 |F|_P = 0.369
.Global seed for "test/precon/test_precon_assembly.py:test_apply_fixed_atoms" was: 4660

precon/test_smallcell.py .Global seed for "test/precon/test_smallcell.py:test_precon_warn" was: 567
.Global seed for "test/precon/test_smallcell.py:test_precon_nowarn" was: 11999

precon/test_unitcellfilter.py PreconLBFGS:   0  18:27:18      -27.526421      29.9964       0.1618
PreconLBFGS:   1  18:27:18      -33.555144      23.0862       0.1243
PreconLBFGS:   2  18:27:18      -37.584308      18.6983       0.0881
PreconLBFGS:   3  18:27:18      -38.337169      17.4272       0.1063
PreconLBFGS:   4  18:27:18      -39.764797      15.6333       0.0962
PreconLBFGS:   5  18:27:18      -40.613281      15.7232       0.0720
PreconLBFGS:   6  18:27:18      -42.195420      13.5227       0.0666
PreconLBFGS:   7  18:27:18      -44.428977      10.7254       0.0526
PreconLBFGS:   8  18:27:18      -46.147146       8.5242       0.0414
PreconLBFGS:   9  18:27:18      -47.442733       6.8226       0.0328
PreconLBFGS:  10  18:27:18      -48.410914       5.5200       0.0261
PreconLBFGS:  11  18:27:18      -49.136377       4.5221       0.0210
PreconLBFGS:  12  18:27:18      -49.688080       3.7474       0.0171
PreconLBFGS:  13  18:27:18      -50.118828       3.1313       0.0140
PreconLBFGS:  14  18:27:18      -50.457042       2.6310       0.0119
PreconLBFGS:  15  18:27:18      -50.739055       2.1934       0.0103
PreconLBFGS:  16  18:27:18      -50.978585       1.7904       0.0092
PreconLBFGS:  17  18:27:18      -51.188985       1.4010       0.0103
PreconLBFGS:  18  18:27:18      -51.331382       1.0858       0.0088
PreconLBFGS:  19  18:27:18      -51.497522       0.6544       0.0071
PreconLBFGS:  20  18:27:18      -51.571709       0.4584       0.0051
PreconLBFGS:  21  18:27:18      -51.615249       0.3367       0.0034
PreconLBFGS:  22  18:27:18      -51.643477       0.2210       0.0016
PreconLBFGS:  23  18:27:18      -51.657701       0.0287       0.0015
PreconLBFGS:  24  18:27:18      -51.658476       0.0376       0.0008
PreconLBFGS:  25  18:27:18      -51.658715       0.0430       0.0005
PreconLBFGS:  26  18:27:18      -51.659040       0.0439       0.0002
PreconLBFGS:  27  18:27:18      -51.659251       0.0334       0.0001
PreconLBFGS:  28  18:27:18      -51.659446       0.0099       0.0001
PreconLBFGS:  29  18:27:18      -51.659486       0.0062       0.0000
PreconLBFGS:  30  18:27:18      -51.659493       0.0042       0.0000
PreconLBFGS:  31  18:27:18      -51.659494       0.0034       0.0000
PreconLBFGS:  32  18:27:18      -51.659496       0.0029       0.0000
PreconLBFGS:  33  18:27:18      -51.659497       0.0020       0.0000
PreconLBFGS:  34  18:27:18      -51.659498       0.0018       0.0000
PreconLBFGS:  35  18:27:18      -51.659498       0.0009       0.0000
.Global seed for "test/precon/test_unitcellfilter.py:test_precon" was: 4703
PreconLBFGS:   0  18:27:18      -27.526421      29.9964       0.1618
PreconLBFGS:   1  18:27:18      -33.558182      23.0812       0.1260
PreconLBFGS:   2  18:27:18      -35.933876      20.9106       0.0920
PreconLBFGS:   3  18:27:19      -37.122996      18.7692       0.1115
PreconLBFGS:   4  18:27:19      -39.322774      16.0248       0.0965
PreconLBFGS:   5  18:27:19      -40.498372      15.9771       0.0769
PreconLBFGS:   6  18:27:19      -42.638403      13.0873       0.0646
PreconLBFGS:   7  18:27:19      -44.758397      10.3773       0.0510
PreconLBFGS:   8  18:27:19      -46.314485       8.3541       0.0408
PreconLBFGS:   9  18:27:19      -47.474575       6.8158       0.0331
PreconLBFGS:  10  18:27:19      -48.357066       5.6239       0.0273
PreconLBFGS:  11  18:27:19      -49.046875       4.6753       0.0228
PreconLBFGS:  12  18:27:19      -49.603023       3.8946       0.0193
PreconLBFGS:  13  18:27:19      -50.066120       3.2289       0.0162
PreconLBFGS:  14  18:27:19      -50.451004       2.6516       0.0141
PreconLBFGS:  15  18:27:19      -50.790957       2.1155       0.0126
PreconLBFGS:  16  18:27:19      -51.083892       1.6237       0.0131
PreconLBFGS:  17  18:27:19      -51.222388       1.3621       0.0104
PreconLBFGS:  18  18:27:19      -51.445117       0.9023       0.0065
PreconLBFGS:  19  18:27:19      -51.570747       0.5773       0.0037
PreconLBFGS:  20  18:27:19      -51.624853       0.3700       0.0025
PreconLBFGS:  21  18:27:19      -51.646853       0.2149       0.0025
PreconLBFGS:  22  18:27:19      -51.654750       0.1185       0.0030
PreconLBFGS:  23  18:27:19      -51.656383       0.1053       0.0012
PreconLBFGS:  24  18:27:19      -51.656986       0.0894       0.0013
PreconLBFGS:  25  18:27:19      -51.658004       0.0626       0.0011
PreconLBFGS:  26  18:27:19      -51.659353       0.0208       0.0004
PreconLBFGS:  27  18:27:19      -51.659459       0.0142       0.0001
PreconLBFGS:  28  18:27:19      -51.659482       0.0075       0.0001
PreconLBFGS:  29  18:27:19      -51.659487       0.0066       0.0001
PreconLBFGS:  30  18:27:19      -51.659492       0.0044       0.0001
PreconLBFGS:  31  18:27:19      -51.659494       0.0042       0.0001
PreconLBFGS:  32  18:27:19      -51.659498       0.0024       0.0000
PreconLBFGS:  33  18:27:19      -51.659498       0.0012       0.0000
PreconLBFGS:  34  18:27:19      -51.659499       0.0002       0.0000
.Global seed for "test/precon/test_unitcellfilter.py:test_precon" was: 4703

spacegroup/test_space_group_data.py .Global seed for "test/spacegroup/test_space_group_data.py:test_valid_spacegroup" was: 9678
.Global seed for "test/spacegroup/test_space_group_data.py:test_valid_spacegroup" was: 9678
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.Global seed for "test/spacegroup/test_space_group_data.py:test_bad_spacegroup" was: 1758
.Global seed for "test/spacegroup/test_space_group_data.py:test_bad_spacegroup" was: 1758
.Global seed for "test/spacegroup/test_space_group_data.py:test_bad_spacegroup" was: 1758
.Global seed for "test/spacegroup/test_space_group_data.py:test_spacegroup_reciprocal_cell" was: 1195

spacegroup/test_spacegroup.py .Global seed for "test/spacegroup/test_spacegroup.py:test_spacegroup_miscellaneous" was: 357
.Global seed for "test/spacegroup/test_spacegroup.py:test_spacegroup_parse_sitesym" was: 10541
.Global seed for "test/spacegroup/test_spacegroup.py:test_spacegroup_parse_sitesym_single" was: 1668
.Global seed for "test/spacegroup/test_spacegroup.py:test_spacegroup_parse_sitesym_element" was: 10906

spacegroup/test_spacegroup_crystal.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_diamond0
.Global seed for "test/spacegroup/test_spacegroup_crystal.py:test_diamond" was: 10496
.Global seed for "test/spacegroup/test_spacegroup_crystal.py:test_skutterudite" was: 2033

spacegroup/test_spacegroup_utils.py .Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis" was: 7372
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis" was: 7372
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis" was: 7372
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis" was: 7372
sGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_infer_sg" was: 5608
sGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_infer_sg" was: 5608
sGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_infer_sg" was: 5608
sGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_infer_sg" was: 5608
sGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_spglib" was: 4744
sGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_spglib" was: 4744
sGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_spglib" was: 4744
sGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_spglib" was: 4744
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_ase" was: 3798
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_ase" was: 3798
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.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_ase" was: 3798
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
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.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_group_1" was: 2202
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_group_1" was: 2202
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_group_1" was: 2202
.Global seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_group_1" was: 2202

spectrum/test_doscollection.py .Global seed for "test/spectrum/test_doscollection.py:test_sequence" was: 8391
.Global seed for "test/spectrum/test_doscollection.py:test_sequence" was: 8391
.Global seed for "test/spectrum/test_doscollection.py:test_sequence" was: 8391
.Global seed for "test/spectrum/test_doscollection.py:test_plot" was: 10606
.Global seed for "test/spectrum/test_doscollection.py:test_plot" was: 10606
.Global seed for "test/spectrum/test_doscollection.py:test_plot" was: 10606
.Global seed for "test/spectrum/test_doscollection.py:test_slicing" was: 7280
.Global seed for "test/spectrum/test_doscollection.py:test_collection_equality" was: 753
.Global seed for "test/spectrum/test_doscollection.py:test_equality_wrongtype" was: 1218
.Global seed for "test/spectrum/test_doscollection.py:test_equality_wrongtype" was: 1218
.Global seed for "test/spectrum/test_doscollection.py:test_equality_wrongtype" was: 1218
.Global seed for "test/spectrum/test_doscollection.py:test_equality_wrongtype" was: 1218
.Global seed for "test/spectrum/test_doscollection.py:test_equality_wrongtype" was: 1218
.Global seed for "test/spectrum/test_doscollection.py:test_addition" was: 6682
.Global seed for "test/spectrum/test_doscollection.py:test_sample" was: 10121
.Global seed for "test/spectrum/test_doscollection.py:test_sample" was: 10121
.Global seed for "test/spectrum/test_doscollection.py:test_sample_grid" was: 3706
.Global seed for "test/spectrum/test_doscollection.py:test_sample_grid" was: 3706
.Global seed for "test/spectrum/test_doscollection.py:test_sample_empty" was: 5009
.Global seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
.Global seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
.Global seed for "test/spectrum/test_doscollection.py:test_sum_all" was: 4874
.Global seed for "test/spectrum/test_doscollection.py:test_sum_all" was: 4874
.Global seed for "test/spectrum/test_doscollection.py:test_sum_all" was: 4874
.Global seed for "test/spectrum/test_doscollection.py:test_sum_empty" was: 9717
.Global seed for "test/spectrum/test_doscollection.py:test_total" was: 10204
.Global seed for "test/spectrum/test_doscollection.py:test_total" was: 10204
.Global seed for "test/spectrum/test_doscollection.py:test_total" was: 10204
.Global seed for "test/spectrum/test_doscollection.py:test_select" was: 7969
.Global seed for "test/spectrum/test_doscollection.py:test_select" was: 7969
.Global seed for "test/spectrum/test_doscollection.py:test_select" was: 7969
.Global seed for "test/spectrum/test_doscollection.py:test_select" was: 7969
.Global seed for "test/spectrum/test_doscollection.py:test_init" was: 4471
.Global seed for "test/spectrum/test_doscollection.py:test_init_errors" was: 5800
.Global seed for "test/spectrum/test_doscollection.py:test_select" was: 7969
.Global seed for "test/spectrum/test_doscollection.py:test_sequence" was: 8391
.Global seed for "test/spectrum/test_doscollection.py:test_slicing" was: 7280
.Global seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
.Global seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
.Global seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
.Global seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
.Global seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
.Global seed for "test/spectrum/test_doscollection.py:test_plot_no_resample" was: 12091

spectrum/test_dosdata.py .Global seed for "test/spectrum/test_dosdata.py:test_dosdata_init_info" was: 442
.Global seed for "test/spectrum/test_dosdata.py:test_dosdata_init_info" was: 442
.Global seed for "test/spectrum/test_dosdata.py:test_dosdata_init_info" was: 442
.Global seed for "test/spectrum/test_dosdata.py:test_dosdata_init_info" was: 442
.Global seed for "test/spectrum/test_dosdata.py:test_dosdata_init_info" was: 442
.Global seed for "test/spectrum/test_dosdata.py:test_label_from_info" was: 5869
.Global seed for "test/spectrum/test_dosdata.py:test_label_from_info" was: 5869
.Global seed for "test/spectrum/test_dosdata.py:test_label_from_info" was: 5869
.Global seed for "test/spectrum/test_dosdata.py:test_label_from_info" was: 5869
.Global seed for "test/spectrum/test_dosdata.py:test_label_from_info" was: 5869
.Global seed for "test/spectrum/test_dosdata.py:test_init" was: 7468
.Global seed for "test/spectrum/test_dosdata.py:test_access" was: 8103
.Global seed for "test/spectrum/test_dosdata.py:test_copy" was: 12198
.Global seed for "test/spectrum/test_dosdata.py:test_equality_wrongtype" was: 6463
.Global seed for "test/spectrum/test_dosdata.py:test_equality_wrongtype" was: 6463
.Global seed for "test/spectrum/test_dosdata.py:test_equality_wrongtype" was: 6463
.Global seed for "test/spectrum/test_dosdata.py:test_equality_wrongtype" was: 6463
.Global seed for "test/spectrum/test_dosdata.py:test_equality" was: 12130
.Global seed for "test/spectrum/test_dosdata.py:test_equality" was: 12130
.Global seed for "test/spectrum/test_dosdata.py:test_equality" was: 12130
.Global seed for "test/spectrum/test_dosdata.py:test_equality" was: 12130
.Global seed for "test/spectrum/test_dosdata.py:test_equality" was: 12130
.Global seed for "test/spectrum/test_dosdata.py:test_equality" was: 12130
.Global seed for "test/spectrum/test_dosdata.py:test_addition" was: 3267
.Global seed for "test/spectrum/test_dosdata.py:test_sampling" was: 678
.Global seed for "test/spectrum/test_dosdata.py:test_sampling" was: 678
.Global seed for "test/spectrum/test_dosdata.py:test_sampling" was: 678
.Global seed for "test/spectrum/test_dosdata.py:test_sampling" was: 678
.Global seed for "test/spectrum/test_dosdata.py:test_sampling" was: 678
.Global seed for "test/spectrum/test_dosdata.py:test_sampling_error" was: 5345
.Global seed for "test/spectrum/test_dosdata.py:test_sample_grid" was: 6043
.Global seed for "test/spectrum/test_dosdata.py:test_plot" was: 1258
.Global seed for "test/spectrum/test_dosdata.py:test_plot" was: 1258
.Global seed for "test/spectrum/test_dosdata.py:test_plot" was: 1258
.Global seed for "test/spectrum/test_dosdata.py:test_plot_deltas" was: 9028
.Global seed for "test/spectrum/test_dosdata.py:test_plot_deltas" was: 9028
.Global seed for "test/spectrum/test_dosdata.py:test_plot_deltas" was: 9028
.Global seed for "test/spectrum/test_dosdata.py:test_init" was: 7468
.Global seed for "test/spectrum/test_dosdata.py:test_access" was: 8103
.Global seed for "test/spectrum/test_dosdata.py:test_copy" was: 12198
.Global seed for "test/spectrum/test_dosdata.py:test_addition" was: 3267
.Global seed for "test/spectrum/test_dosdata.py:test_check_spacing" was: 11542
.Global seed for "test/spectrum/test_dosdata.py:test_resampling_consistency" was: 12143
.Global seed for "test/spectrum/test_dosdata.py:test_plot" was: 1258
.Global seed for "test/spectrum/test_dosdata.py:test_plot" was: 1258
.Global seed for "test/spectrum/test_dosdata.py:test_plot" was: 1258
.Global seed for "test/spectrum/test_dosdata.py:test_plot_broad_dos" was: 2844
.Global seed for "test/spectrum/test_dosdata.py:test_smearing_args_interpreter" was: 3032
.Global seed for "test/spectrum/test_dosdata.py:test_smearing_args_interpreter" was: 3032
.Global seed for "test/spectrum/test_dosdata.py:test_smearing_args_interpreter" was: 3032
.Global seed for "test/spectrum/test_dosdata.py:test_smearing_args_interpreter" was: 3032
.Global seed for "test/spectrum/test_dosdata.py:test_addition" was: 3267

standardization/test_properties.py .Global seed for "test/standardization/test_properties.py:test_calc_properties" was: 12319

test_bader.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bader0
Atom O Bader charge -1.0852000000000004
Atom H Bader charge 0.5426
Atom H Bader charge 0.5426
.Global seed for "test/test_bader.py:test_bader" was: 7998

test_bandpath_kpts_axis.py .Global seed for "test/test_bandpath_kpts_axis.py:test_bandpath_kpts_axis" was: 11420

test_basin.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_basin0
BasinHopping: step -1, energy      -15.417786, emin      -15.417786
BasinHopping: step 0, energy      -15.417509, emin      -15.417786
BasinHopping: step 1, energy      -15.819783, emin      -15.819783
BasinHopping: step 2, energy      -16.390066, emin      -16.390066
BasinHopping: step 3, energy      -16.390210, emin      -16.390210
BasinHopping: step 4, energy      -14.481582, emin      -16.390210
BasinHopping: step 5, energy      -16.390078, emin      -16.390210
BasinHopping: step 6, energy      -16.390246, emin      -16.390246
BasinHopping: step 7, energy      -15.417749, emin      -16.390246
BasinHopping: step 8, energy      -15.477364, emin      -16.390246
BasinHopping: step 9, energy      -10.056238, emin      -16.390246
N= 7 minimal energy found -16.390246263430754  global minimum: -16.505384
.Global seed for "test/test_basin.py:test_basin" was: 9041

test_calc_outputs_big.py natoms 4
energy 0.2946650026871097
energies [0.19152079 0.06790036 0.78698546 0.65633352]
free_energy 0.5305867556052941
forces [[0.6375209  0.57560289 0.03906292]
 [0.3578136  0.94568319 0.06004468]
 [0.8640421  0.87729053 0.05119367]
 [0.65241862 0.55175137 0.59751325]]
stress [0.48352862 0.28298816 0.29772572 0.56150891 0.39604744 0.78870071]
stresses [[0.41848439 0.14390392 0.15090669 0.05524135 0.71803719 0.29231735]
 [0.19877387 0.83136392 0.56799112 0.08233975 0.54499857 0.15895874]
 [0.67676239 0.11847226 0.44499607 0.88798243 0.79726773 0.06797873]
 [0.96078776 0.65920539 0.71877608 0.74357677 0.88773635 0.13394567]]
nbands 5
nkpts 3
nspins 2
fermi_level 0.44895006829702844
kpoint_weights [0.30893876 0.96663015 0.48285467]
ibz_kpoints [[0.89728727 0.49310234 0.50447752]
 [0.36512365 0.78300612 0.94792302]
 [0.13001501 0.66111267 0.16373231]]
eigenvalues [[[0.77697458 0.83799151 0.82930476 0.029157   0.39037449]
  [0.43725199 0.52063506 0.49287267 0.13042928 0.98438353]
  [0.06570232 0.57928408 0.58077483 0.95433787 0.19744378]]

 [[0.0833254  0.88386422 0.01569619 0.79559465 0.76819044]
  [0.87204379 0.91611009 0.27381319 0.23638113 0.31051984]
  [0.71564326 0.08273549 0.67548644 0.85852467 0.69289688]]]
occupations [[[0.78508369 0.35328125 0.22019207 0.24537239 0.72741252]
  [0.06412777 0.45373746 0.48767733 0.64087483 0.10616885]
  [0.57360994 0.96034579 0.51568058 0.56982505 0.98800666]]

 [[0.83287094 0.49814368 0.08015134 0.87104699 0.71308641]
  [0.73211204 0.82361999 0.74497921 0.41306263 0.51470533]
  [0.8465415  0.85886206 0.31050361 0.11938639 0.52095948]]]
dipole [0.54074745 0.71117314 0.68743174]
charges [0.03696915 0.88817057 0.18858421 0.78202776]
magmom 0.6439261219721384
magmoms [0.48539899 0.92904495 0.26988141 0.81417899]
polarization [0.69504207 0.23553119 0.95330269]
dielectric_tensor [[0.58543571 0.58306647 0.15720954]
 [0.42524046 0.23502191 0.60050733]
 [0.36060842 0.16887345 0.34724645]]
born_effective_charges [[[0.21451702 0.79452829 0.79170932]
  [0.16454036 0.75036405 0.05589662]
  [0.23247043 0.65009643 0.71824176]]

 [[0.48004946 0.33761467 0.38970629]
  [0.85879719 0.51138561 0.87469001]
  [0.94643855 0.93573371 0.49303793]]

 [[0.60051828 0.2071701  0.95618827]
  [0.98681046 0.82937884 0.53788946]
  [0.08353762 0.31388749 0.10611345]]

 [[0.20490865 0.3255184  0.50160899]
  [0.87831875 0.26100894 0.53013677]
  [0.84386264 0.13656449 0.40022401]]]
.Global seed for "test/test_calc_outputs_big.py:test_properties_big" was: 5260
(Properties({'nspins': 2, 'nkpts': 3, 'nbands': 5, 'eigenvalues': array([[[0.77697458, 0.83799151, 0.82930476, 0.029157  , 0.39037449],
        [0.43725199, 0.52063506, 0.49287267, 0.13042928, 0.98438353],
        [0.06570232, 0.57928408, 0.58077483, 0.95433787, 0.19744378]],

       [[0.0833254 , 0.88386422, 0.01569619, 0.79559465, 0.76819044],
        [0.87204379, 0.91611009, 0.27381319, 0.23638113, 0.31051984],
        [0.71564326, 0.08273549, 0.67548644, 0.85852467, 0.69289688]]]), 'occupations': array([[[0.78508369, 0.35328125, 0.22019207, 0.24537239, 0.72741252],
        [0.06412777, 0.45373746, 0.48767733, 0.64087483, 0.10616885],
        [0.57360994, 0.96034579, 0.51568058, 0.56982505, 0.98800666]],

       [[0.83287094, 0.49814368, 0.08015134, 0.87104699, 0.71308641],
        [0.73211204, 0.82361999, 0.74497921, 0.41306263, 0.51470533],
        [0.8465415 , 0.85886206, 0.31050361, 0.11938639, 0.52095948]]]), 'fermi_level': 0.44895006829702844, 'kpoint_weights': array([0.30893876, 0.96663015, 0.48285467]), 'natoms': 4, 'forces': array([[0.6375209 , 0.57560289, 0.03906292],
       [0.3578136 , 0.94568319, 0.06004468],
       [0.8640421 , 0.87729053, 0.05119367],
       [0.65241862, 0.55175137, 0.59751325]])})
.Global seed for "test/test_calc_outputs_big.py:test_singlepoint_roundtrip" was: 10002
.Global seed for "test/test_calc_outputs_big.py:test_output_mixin" was: 621

test_calc_properties.py Property('natoms', dtype=int, shape=[])
.Global seed for "test/test_calc_properties.py:test_print_props" was: 7460
Property('energy', dtype=float, shape=[])
.Global seed for "test/test_calc_properties.py:test_print_props" was: 7460
Property('energies', dtype=float, shape=[natoms])
.Global seed for "test/test_calc_properties.py:test_print_props" was: 7460
Property('free_energy', dtype=float, shape=[])
.Global seed for "test/test_calc_properties.py:test_print_props" was: 7460
Property('forces', dtype=float, shape=[natoms, 3])
.Global seed for "test/test_calc_properties.py:test_print_props" was: 7460
Property('stress', dtype=float, shape=[6])
.Global seed for "test/test_calc_properties.py:test_print_props" was: 7460
Property('stresses', dtype=float, shape=[natoms, 6])
.Global seed for "test/test_calc_properties.py:test_print_props" was: 7460
Property('nbands', dtype=int, shape=[])
.Global seed for "test/test_calc_properties.py:test_print_props" was: 7460
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test_cluster.py .Global seed for "test/test_cluster.py:test_icosa" was: 861
.Global seed for "test/test_cluster.py:test_icosa" was: 861
.Global seed for "test/test_cluster.py:test_icosa" was: 861
.Global seed for "test/test_cluster.py:test_icosa" was: 861
.Global seed for "test/test_cluster.py:test_icosa" was: 861
.Global seed for "test/test_cluster.py:test_icosa" was: 861
.Global seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
.Global seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
.Global seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
.Global seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
.Global seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
.Global seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
.Global seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
Cluster(symbols='Au', pbc=False)
.Global seed for "test/test_cluster.py:test_cuboctahedron" was: 6966
Cluster(symbols='Au13', pbc=False)
.Global seed for "test/test_cluster.py:test_cuboctahedron" was: 6966
Cluster(symbols='Au55', pbc=False)
.Global seed for "test/test_cluster.py:test_cuboctahedron" was: 6966
Cluster(symbols='Au147', pbc=False)
.Global seed for "test/test_cluster.py:test_cuboctahedron" was: 6966
Cluster(symbols='Au309', pbc=False)
.Global seed for "test/test_cluster.py:test_cuboctahedron" was: 6966
Cluster(symbols='Au561', pbc=False)
.Global seed for "test/test_cluster.py:test_cuboctahedron" was: 6966
.Global seed for "test/test_cluster.py:test_decahedron" was: 3502
.Global seed for "test/test_cluster.py:test_smallest_decahedron" was: 7187
.Global seed for "test/test_cluster.py:test_centering" was: 2287
.Global seed for "test/test_cluster.py:test_centering" was: 2287
.Global seed for "test/test_cluster.py:test_centering" was: 2287

test_cutoffs.py .Global seed for "test/test_cutoffs.py:test_cutoffs" was: 7315

test_dependency_list.py .Global seed for "test/test_dependency_list.py:test_format_dependency" was: 4600
.Global seed for "test/test_dependency_list.py:test_format_dependency_builtin" was: 633

test_diffusion_coefficient.py .Global seed for "test/test_diffusion_coefficient.py:test_atom" was: 6230
.Global seed for "test/test_diffusion_coefficient.py:test_co_molecule" was: 7967

test_dimer.py [[0. 0. 0.]
 [0. 0. 0.]]
[[0. 0. 0.]
 [0. 0. 1.]]
[[0.1 0.1 0.1]
 [0.1 0.1 1.1]]
[[0.1 0.1 5.2]
 [0.1 0.1 6.2]]
[[1. 2. 3.]
 [4. 5. 6.]]
[[2.24853321 3.24853321 4.24853321]
 [2.75146679 3.75146679 4.95146679]]
.Global seed for "test/test_dimer.py:test_dimer" was: 4555

test_dimer_method.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_dimer_method0
.Global seed for "test/test_dimer_method.py:test_dimer_method" was: 8111

test_distmom.py .Global seed for "test/test_distmom.py:test_distmom" was: 11295

test_doctests.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_atoms_0
Trying:
    from ase import Atom
Expecting nothing
ok
Trying:
    d = 1.104  # N2 bondlength
Expecting nothing
ok
Trying:
    a = Atoms('N2', [(0, 0, 0), (0, 0, d)])
Expecting nothing
ok
Trying:
    a = Atoms(numbers=[7, 7], positions=[(0, 0, 0), (0, 0, d)])
Expecting nothing
ok
Trying:
    a = Atoms([Atom('N', (0, 0, 0)), Atom('N', (0, 0, d))])
Expecting nothing
ok
Trying:
    a = 4.05  # Gold lattice constant
Expecting nothing
ok
Trying:
    b = a / 2
Expecting nothing
ok
Trying:
    fcc = Atoms('Au',
                cell=[(0, b, b), (b, 0, b), (b, b, 0)],
                pbc=True)
Expecting nothing
ok
Trying:
    d = 0.9  # H-H distance
Expecting nothing
ok
Trying:
    h = Atoms('H', positions=[(0, 0, 0)],
              cell=(d, 0, 0),
              pbc=(1, 0, 0))
Expecting nothing
ok
Trying:
    atoms = Atoms()
Expecting nothing
ok
Trying:
    atoms.rotate(90, 'z')
Expecting nothing
ok
Trying:
    atoms.rotate(90, (0, 0, 1))
Expecting nothing
ok
Trying:
    atoms.rotate(-90, '-z')
Expecting nothing
ok
Trying:
    atoms.rotate('x', 'y')
Expecting nothing
ok
Trying:
    atoms.rotate((1, 0, 0), (0, 1, 0))
Expecting nothing
ok
Trying:
    atoms = Atoms('He')
Expecting nothing
ok
Trying:
    a, b, c = 7, 7.5, 8
Expecting nothing
ok
Trying:
    atoms.set_cell([a, b, c])
Expecting nothing
ok
Trying:
    atoms.set_cell([(a, 0, 0), (0, b, 0), (0, 0, c)])
Expecting nothing
ok
Trying:
    atoms.set_cell([(0, b, b), (b, 0, b), (b, b, 0)])
Expecting nothing
ok
Trying:
    atoms.set_cell([a, a, c, 90, 90, 120])
Expecting nothing
ok
Trying:
    alpha = 77
Expecting nothing
ok
Trying:
    atoms.set_cell([a, a, a, alpha, alpha, alpha])
Expecting nothing
ok
Trying:
    atoms = Atoms('HHCCHH', [[-1, 1, 0], [-1, -1, 0], [0, 0, 0],
                             [1, 0, 0], [2, 1, 0], [2, -1, 0]])
Expecting nothing
ok
Trying:
    atoms.set_dihedral(1, 2, 3, 4, 210, mask=[0, 0, 0, 1, 1, 1])
Expecting nothing
ok
111 items had no tests:
    ase.atoms
    ase.atoms.Atoms.__add__
    ase.atoms.Atoms.__ase_optimizable__
    ase.atoms.Atoms.__delitem__
    ase.atoms.Atoms.__eq__
    ase.atoms.Atoms.__getitem__
    ase.atoms.Atoms.__iadd__
    ase.atoms.Atoms.__imul__
    ase.atoms.Atoms.__init__
    ase.atoms.Atoms.__iter__
    ase.atoms.Atoms.__len__
    ase.atoms.Atoms.__mul__
    ase.atoms.Atoms.__ne__
    ase.atoms.Atoms.__repr__
    ase.atoms.Atoms._centering_as_array
    ase.atoms.Atoms._del_constraints
    ase.atoms.Atoms._get_atomic_numbers
    ase.atoms.Atoms._get_constraints
    ase.atoms.Atoms._get_positions
    ase.atoms.Atoms._masked_rotate
    ase.atoms.Atoms._set_positions
    ase.atoms.Atoms.append
    ase.atoms.Atoms.calc
    ase.atoms.Atoms.cell
    ase.atoms.Atoms.center
    ase.atoms.Atoms.constraints
    ase.atoms.Atoms.copy
    ase.atoms.Atoms.edit
    ase.atoms.Atoms.euler_rotate
    ase.atoms.Atoms.extend
    ase.atoms.Atoms.fromdict
    ase.atoms.Atoms.get_all_distances
    ase.atoms.Atoms.get_angle
    ase.atoms.Atoms.get_angles
    ase.atoms.Atoms.get_angular_momentum
    ase.atoms.Atoms.get_array
    ase.atoms.Atoms.get_atomic_numbers
    ase.atoms.Atoms.get_calculator
    ase.atoms.Atoms.get_cell
    ase.atoms.Atoms.get_cell_lengths_and_angles
    ase.atoms.Atoms.get_celldisp
    ase.atoms.Atoms.get_center_of_mass
    ase.atoms.Atoms.get_charges
    ase.atoms.Atoms.get_chemical_formula
    ase.atoms.Atoms.get_chemical_symbols
    ase.atoms.Atoms.get_dihedral
    ase.atoms.Atoms.get_dihedrals
    ase.atoms.Atoms.get_dipole_moment
    ase.atoms.Atoms.get_distance
    ase.atoms.Atoms.get_distances
    ase.atoms.Atoms.get_forces
    ase.atoms.Atoms.get_global_number_of_atoms
    ase.atoms.Atoms.get_initial_charges
    ase.atoms.Atoms.get_initial_magnetic_moments
    ase.atoms.Atoms.get_kinetic_energy
    ase.atoms.Atoms.get_magnetic_moment
    ase.atoms.Atoms.get_magnetic_moments
    ase.atoms.Atoms.get_masses
    ase.atoms.Atoms.get_momenta
    ase.atoms.Atoms.get_moments_of_inertia
    ase.atoms.Atoms.get_number_of_atoms
    ase.atoms.Atoms.get_pbc
    ase.atoms.Atoms.get_positions
    ase.atoms.Atoms.get_potential_energies
    ase.atoms.Atoms.get_potential_energy
    ase.atoms.Atoms.get_properties
    ase.atoms.Atoms.get_reciprocal_cell
    ase.atoms.Atoms.get_scaled_positions
    ase.atoms.Atoms.get_stress
    ase.atoms.Atoms.get_stresses
    ase.atoms.Atoms.get_tags
    ase.atoms.Atoms.get_temperature
    ase.atoms.Atoms.get_total_energy
    ase.atoms.Atoms.get_velocities
    ase.atoms.Atoms.get_volume
    ase.atoms.Atoms.has
    ase.atoms.Atoms.iterimages
    ase.atoms.Atoms.new_array
    ase.atoms.Atoms.number_of_lattice_vectors
    ase.atoms.Atoms.numbers
    ase.atoms.Atoms.pbc
    ase.atoms.Atoms.pop
    ase.atoms.Atoms.positions
    ase.atoms.Atoms.rattle
    ase.atoms.Atoms.repeat
    ase.atoms.Atoms.rotate_dihedral
    ase.atoms.Atoms.set_angle
    ase.atoms.Atoms.set_array
    ase.atoms.Atoms.set_atomic_numbers
    ase.atoms.Atoms.set_calculator
    ase.atoms.Atoms.set_celldisp
    ase.atoms.Atoms.set_center_of_mass
    ase.atoms.Atoms.set_chemical_symbols
    ase.atoms.Atoms.set_constraint
    ase.atoms.Atoms.set_distance
    ase.atoms.Atoms.set_initial_charges
    ase.atoms.Atoms.set_initial_magnetic_moments
    ase.atoms.Atoms.set_masses
    ase.atoms.Atoms.set_momenta
    ase.atoms.Atoms.set_pbc
    ase.atoms.Atoms.set_positions
    ase.atoms.Atoms.set_scaled_positions
    ase.atoms.Atoms.set_tags
    ase.atoms.Atoms.set_velocities
    ase.atoms.Atoms.symbols
    ase.atoms.Atoms.todict
    ase.atoms.Atoms.translate
    ase.atoms.Atoms.wrap
    ase.atoms.Atoms.write
    ase.atoms.default
    ase.atoms.string2vector
4 items passed all tests:
  10 tests in ase.atoms.Atoms
   6 tests in ase.atoms.Atoms.rotate
   8 tests in ase.atoms.Atoms.set_cell
   2 tests in ase.atoms.Atoms.set_dihedral
26 tests in 115 items.
26 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_build_tools_0
Trying:
    import ase
Expecting nothing
ok
Trying:
    from ase.spacegroup import crystal
Expecting nothing
ok
Trying:
    from ase.build.tools import cut
Expecting nothing
ok
Trying:
    a = 4.05
Expecting nothing
ok
Trying:
    aluminium = crystal('Al', [(0,0,0)], spacegroup=225,
                        cellpar=[a, a, a, 90, 90, 90])
Expecting nothing
ok
Trying:
    al111 = cut(aluminium, (1,-1,0), (0,1,-1), nlayers=3)
Expecting nothing
ok
Trying:
    from ase.spacegroup import crystal
Expecting nothing
ok
Trying:
    from ase.build.tools import cut
Expecting nothing
ok
Trying:
    a = 9.04
Expecting nothing
ok
Trying:
    skutterudite = crystal(
        ('Co', 'Sb'),
        basis=[(0.25,0.25,0.25), (0.0, 0.335, 0.158)],
        spacegroup=204,
        cellpar=[a, a, a, 90, 90, 90])
Expecting nothing
ok
Trying:
    s = cut(skutterudite, origo=(0.25, 0.25, 0.25), extend=1.01)
Expecting nothing
ok
Trying:
    from ase.build import bulk
Expecting nothing
ok
Trying:
    from ase.build.tools import sort
Expecting nothing
ok
Trying:
    a = 5.64
Expecting nothing
ok
Trying:
    nacl = bulk('NaCl', 'rocksalt', a=a) * (2, 1, 1)
Expecting nothing
ok
Trying:
    nacl.get_chemical_symbols()
Expecting:
    ['Na', 'Cl', 'Na', 'Cl']
ok
Trying:
    nacl_sorted = sort(nacl)
Expecting nothing
ok
Trying:
    nacl_sorted.get_chemical_symbols()
Expecting:
    ['Cl', 'Cl', 'Na', 'Na']
ok
Trying:
    np.all(nacl_sorted.cell == nacl.cell)
Expecting:
    True
ok
Trying:
    import ase
Expecting nothing
ok
Trying:
    from ase.spacegroup import crystal
Expecting nothing
ok
Trying:
    from ase.build.tools import cut, stack
Expecting nothing
ok
Trying:
    a_ag = 4.09
Expecting nothing
ok
Trying:
    ag = crystal(['Ag'], basis=[(0,0,0)], spacegroup=225,
                 cellpar=[a_ag, a_ag, a_ag, 90., 90., 90.])
Expecting nothing
ok
Trying:
    ag110 = cut(ag, (0, 0, 3), (-1.5, 1.5, 0), nlayers=3)
Expecting nothing
ok
Trying:
    a_si = 5.43
Expecting nothing
ok
Trying:
    si = crystal(['Si'], basis=[(0,0,0)], spacegroup=227,
                 cellpar=[a_si, a_si, a_si, 90., 90., 90.])
Expecting nothing
ok
Trying:
    si110 = cut(si, (0, 0, 2), (-1, 1, 0), nlayers=3)
Expecting nothing
ok
Trying:
    interface = stack(ag110, si110, maxstrain=1)
Expecting nothing
ok
Trying:
    interface2 = stack(ag110, si110,
                       maxstrain=1, distance=2.3)   # doctest:+ELLIPSIS
Expecting:
    Optimization terminated successfully.
        ...
ok
9 items had no tests:
    ase.build.tools
    ase.build.tools.IncompatibleCellError
    ase.build.tools.minimize_tilt
    ase.build.tools.minimize_tilt_ij
    ase.build.tools.niggli_reduce
    ase.build.tools.reduce_lattice
    ase.build.tools.rotate
    ase.build.tools.rotation_matrix
    ase.build.tools.update_cell_and_positions
3 items passed all tests:
  12 tests in ase.build.tools.cut
   8 tests in ase.build.tools.sort
  13 tests in ase.build.tools.stack
33 tests in 12 items.
33 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_cell_0
Trying:
    from ase.cell import Cell
Expecting nothing
ok
Trying:
    cell = Cell.fromcellpar([4, 4, 4, 60, 60, 60])
Expecting nothing
ok
Trying:
    cell.bandpath('GXW', npoints=20)
Expecting:
    BandPath(path='GXW', cell=[3x3], special_points={GKLUWX}, kpts=[20x3])
ok
Trying:
    from ase.cell import Cell
Expecting nothing
ok
Trying:
    cell = Cell.fromcellpar([4, 4, 4, 60, 60, 60])
Expecting nothing
ok
Trying:
    print(cell.get_bravais_lattice())
Expecting:
    FCC(a=5.65685)
ok
128 items had no tests:
    ase.cell
    ase.cell.Cell
    ase.cell.Cell.T
    ase.cell.Cell.__abs__
    ase.cell.Cell.__add__
    ase.cell.Cell.__array__
    ase.cell.Cell.__bool__
    ase.cell.Cell.__contains__
    ase.cell.Cell.__eq__
    ase.cell.Cell.__ge__
    ase.cell.Cell.__getitem__
    ase.cell.Cell.__gt__
    ase.cell.Cell.__init__
    ase.cell.Cell.__iter__
    ase.cell.Cell.__le__
    ase.cell.Cell.__len__
    ase.cell.Cell.__lt__
    ase.cell.Cell.__matmul__
    ase.cell.Cell.__mul__
    ase.cell.Cell.__ne__
    ase.cell.Cell.__neg__
    ase.cell.Cell.__pos__
    ase.cell.Cell.__pow__
    ase.cell.Cell.__radd__
    ase.cell.Cell.__repr__
    ase.cell.Cell.__rmatmul__
    ase.cell.Cell.__rmul__
    ase.cell.Cell.__rpow__
    ase.cell.Cell.__rsub__
    ase.cell.Cell.__rtruediv__
    ase.cell.Cell.__setitem__
    ase.cell.Cell.__sub__
    ase.cell.Cell.__truediv__
    ase.cell.Cell.all
    ase.cell.Cell.angles
    ase.cell.Cell.any
    ase.cell.Cell.area
    ase.cell.Cell.areas
    ase.cell.Cell.argmax
    ase.cell.Cell.argmin
    ase.cell.Cell.argpartition
    ase.cell.Cell.argsort
    ase.cell.Cell.ascell
    ase.cell.Cell.astype
    ase.cell.Cell.base
    ase.cell.Cell.byteswap
    ase.cell.Cell.cartesian_positions
    ase.cell.Cell.cellpar
    ase.cell.Cell.choose
    ase.cell.Cell.clip
    ase.cell.Cell.complete
    ase.cell.Cell.compress
    ase.cell.Cell.conj
    ase.cell.Cell.conjugate
    ase.cell.Cell.copy
    ase.cell.Cell.ctypes
    ase.cell.Cell.cumprod
    ase.cell.Cell.cumsum
    ase.cell.Cell.data
    ase.cell.Cell.diagonal
    ase.cell.Cell.dot
    ase.cell.Cell.dtype
    ase.cell.Cell.dump
    ase.cell.Cell.dumps
    ase.cell.Cell.fill
    ase.cell.Cell.flags
    ase.cell.Cell.flat
    ase.cell.Cell.flatten
    ase.cell.Cell.fromcellpar
    ase.cell.Cell.getfield
    ase.cell.Cell.handedness
    ase.cell.Cell.imag
    ase.cell.Cell.item
    ase.cell.Cell.itemset
    ase.cell.Cell.itemsize
    ase.cell.Cell.lengths
    ase.cell.Cell.mask
    ase.cell.Cell.max
    ase.cell.Cell.mean
    ase.cell.Cell.min
    ase.cell.Cell.minkowski_reduce
    ase.cell.Cell.nbytes
    ase.cell.Cell.ndim
    ase.cell.Cell.new
    ase.cell.Cell.newbyteorder
    ase.cell.Cell.niggli_reduce
    ase.cell.Cell.nonzero
    ase.cell.Cell.normal
    ase.cell.Cell.normals
    ase.cell.Cell.orthorhombic
    ase.cell.Cell.partition
    ase.cell.Cell.permute_axes
    ase.cell.Cell.prod
    ase.cell.Cell.ptp
    ase.cell.Cell.put
    ase.cell.Cell.rank
    ase.cell.Cell.ravel
    ase.cell.Cell.real
    ase.cell.Cell.reciprocal
    ase.cell.Cell.repeat
    ase.cell.Cell.reshape
    ase.cell.Cell.resize
    ase.cell.Cell.round
    ase.cell.Cell.scaled_positions
    ase.cell.Cell.searchsorted
    ase.cell.Cell.setfield
    ase.cell.Cell.setflags
    ase.cell.Cell.shape
    ase.cell.Cell.size
    ase.cell.Cell.sort
    ase.cell.Cell.squeeze
    ase.cell.Cell.standard_form
    ase.cell.Cell.std
    ase.cell.Cell.strides
    ase.cell.Cell.sum
    ase.cell.Cell.swapaxes
    ase.cell.Cell.take
    ase.cell.Cell.tobytes
    ase.cell.Cell.todict
    ase.cell.Cell.tofile
    ase.cell.Cell.tolist
    ase.cell.Cell.tostring
    ase.cell.Cell.trace
    ase.cell.Cell.transpose
    ase.cell.Cell.uncomplete
    ase.cell.Cell.var
    ase.cell.Cell.view
    ase.cell.Cell.volume
2 items passed all tests:
   3 tests in ase.cell.Cell.bandpath
   3 tests in ase.cell.Cell.get_bravais_lattice
6 tests in 130 items.
6 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_calculators_v0
Trying:
    from ase.calculators.vasp import Vasp
Expecting nothing
ok
Trying:
    calc = Vasp(label='mylabel', txt='vasp.out') # Redirect stdout
Expecting nothing
ok
Trying:
    calc = Vasp(txt='myfile.txt') # Redirect stdout
Expecting nothing
ok
Trying:
    calc = Vasp(txt='-') # Print vasp output to stdout
Expecting nothing
ok
Trying:
    calc = Vasp(txt=None)  # Suppress txt output
Expecting nothing
ok
Trying:
    from ase.calculators.vasp import Vasp
Expecting nothing
ok
Trying:
    calc = Vasp()
Expecting nothing
ok
79 items had no tests:
    ase.calculators.vasp.vasp
    ase.calculators.vasp.vasp.Vasp.__init__
    ase.calculators.vasp.vasp.Vasp._indir
    ase.calculators.vasp.vasp.Vasp._read_magnetic_moment
    ase.calculators.vasp.vasp.Vasp._read_magnetic_moments
    ase.calculators.vasp.vasp.Vasp._read_massweighted_hessian_xml
    ase.calculators.vasp.vasp.Vasp._read_xml
    ase.calculators.vasp.vasp.Vasp._run
    ase.calculators.vasp.vasp.Vasp._set_old_keywords
    ase.calculators.vasp.vasp.Vasp._store_param_state
    ase.calculators.vasp.vasp.Vasp._txt_outstream
    ase.calculators.vasp.vasp.Vasp._xml_calc
    ase.calculators.vasp.vasp.Vasp.asdict
    ase.calculators.vasp.vasp.Vasp.atoms
    ase.calculators.vasp.vasp.Vasp.calculate
    ase.calculators.vasp.vasp.Vasp.check_state
    ase.calculators.vasp.vasp.Vasp.clear_results
    ase.calculators.vasp.vasp.Vasp.encut
    ase.calculators.vasp.vasp.Vasp.fromdict
    ase.calculators.vasp.vasp.Vasp.get_bz_k_points
    ase.calculators.vasp.vasp.Vasp.get_dos
    ase.calculators.vasp.vasp.Vasp.get_eigenvalues
    ase.calculators.vasp.vasp.Vasp.get_fermi_level
    ase.calculators.vasp.vasp.Vasp.get_homo_lumo
    ase.calculators.vasp.vasp.Vasp.get_homo_lumo_by_spin
    ase.calculators.vasp.vasp.Vasp.get_ibz_k_points
    ase.calculators.vasp.vasp.Vasp.get_k_point_weights
    ase.calculators.vasp.vasp.Vasp.get_kpt
    ase.calculators.vasp.vasp.Vasp.get_nonselfconsistent_energies
    ase.calculators.vasp.vasp.Vasp.get_number_of_bands
    ase.calculators.vasp.vasp.Vasp.get_number_of_electrons
    ase.calculators.vasp.vasp.Vasp.get_number_of_grid_points
    ase.calculators.vasp.vasp.Vasp.get_number_of_iterations
    ase.calculators.vasp.vasp.Vasp.get_number_of_spins
    ase.calculators.vasp.vasp.Vasp.get_occupation_numbers
    ase.calculators.vasp.vasp.Vasp.get_pseudo_density
    ase.calculators.vasp.vasp.Vasp.get_pseudo_wavefunction
    ase.calculators.vasp.vasp.Vasp.get_spin_polarized
    ase.calculators.vasp.vasp.Vasp.get_version
    ase.calculators.vasp.vasp.Vasp.get_vibrations
    ase.calculators.vasp.vasp.Vasp.get_xc_functional
    ase.calculators.vasp.vasp.Vasp.kpts
    ase.calculators.vasp.vasp.Vasp.load_file_iter
    ase.calculators.vasp.vasp.Vasp.make_command
    ase.calculators.vasp.vasp.Vasp.read
    ase.calculators.vasp.vasp.Vasp.read_atoms
    ase.calculators.vasp.vasp.Vasp.read_convergence
    ase.calculators.vasp.vasp.Vasp.read_dipole
    ase.calculators.vasp.vasp.Vasp.read_energy
    ase.calculators.vasp.vasp.Vasp.read_fermi
    ase.calculators.vasp.vasp.Vasp.read_forces
    ase.calculators.vasp.vasp.Vasp.read_json
    ase.calculators.vasp.vasp.Vasp.read_k_point_weights
    ase.calculators.vasp.vasp.Vasp.read_ldau
    ase.calculators.vasp.vasp.Vasp.read_mag
    ase.calculators.vasp.vasp.Vasp.read_nbands
    ase.calculators.vasp.vasp.Vasp.read_number_of_ionic_steps
    ase.calculators.vasp.vasp.Vasp.read_number_of_iterations
    ase.calculators.vasp.vasp.Vasp.read_outcar
    ase.calculators.vasp.vasp.Vasp.read_relaxed
    ase.calculators.vasp.vasp.Vasp.read_results
    ase.calculators.vasp.vasp.Vasp.read_sort
    ase.calculators.vasp.vasp.Vasp.read_spinpol
    ase.calculators.vasp.vasp.Vasp.read_stress
    ase.calculators.vasp.vasp.Vasp.read_version
    ase.calculators.vasp.vasp.Vasp.read_vib_freq
    ase.calculators.vasp.vasp.Vasp.reset
    ase.calculators.vasp.vasp.Vasp.set
    ase.calculators.vasp.vasp.Vasp.strip_warnings
    ase.calculators.vasp.vasp.Vasp.txt
    ase.calculators.vasp.vasp.Vasp.update_atoms
    ase.calculators.vasp.vasp.Vasp.write_input
    ase.calculators.vasp.vasp.Vasp.write_json
    ase.calculators.vasp.vasp.Vasp.xc
    ase.calculators.vasp.vasp._prohibit_directory_in_label
    ase.calculators.vasp.vasp.check_atoms
    ase.calculators.vasp.vasp.check_atoms_type
    ase.calculators.vasp.vasp.check_cell
    ase.calculators.vasp.vasp.check_pbc
2 items passed all tests:
   5 tests in ase.calculators.vasp.vasp.Vasp
   3 tests in ase.calculators.vasp.vasp.Vasp.load_file
8 tests in 81 items.
8 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_collections_c0
Trying:
    from ase.collections import s22
Expecting nothing
ok
Trying:
    len(s22)
Expecting:
    22
ok
Trying:
    s22.names[:3]
Expecting:
    ['Ammonia_dimer', 'Water_dimer', 'Formic_acid_dimer']
ok
Trying:
    dimer = s22['Water_dimer']
Expecting nothing
ok
Trying:
    dimer.get_chemical_symbols()
Expecting:
    ['O', 'H', 'H', 'O', 'H', 'H']
ok
Trying:
    s22.data['Ammonia_dimer']
Expecting:
    {'cc_energy': -0.1375}
ok
Trying:
    sum(len(atoms) for atoms in s22)
Expecting:
    414
ok
11 items had no tests:
    ase.collections.collection
    ase.collections.collection.Collection.__getitem__
    ase.collections.collection.Collection.__init__
    ase.collections.collection.Collection.__iter__
    ase.collections.collection.Collection.__len__
    ase.collections.collection.Collection.__repr__
    ase.collections.collection.Collection.__str__
    ase.collections.collection.Collection._read
    ase.collections.collection.Collection.data
    ase.collections.collection.Collection.has
    ase.collections.collection.Collection.names
1 item passed all tests:
   7 tests in ase.collections.collection.Collection
7 tests in 12 items.
7 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_dft_kpoints_0
Trying:
    from ase.lattice import CUB
Expecting nothing
ok
Trying:
    path = CUB(3).bandpath()
Expecting nothing
ok
Trying:
    path
Expecting:
    BandPath(path='GXMGRX,MR', cell=[3x3], special_points={GMRX}, kpts=[40x3])
ok
Trying:
    from ase.io.jsonio import read_json
Expecting nothing
ok
Trying:
    path.write('mybandpath.json')
Expecting nothing
ok
Trying:
    read_json('mybandpath.json')
Expecting:
    BandPath(path='GXMGRX,MR', cell=[3x3], special_points={GMRX}, kpts=[40x3])
ok
Trying:
    parse_path_string('GX')
Expecting:
    [['G', 'X']]
ok
Trying:
    parse_path_string('GX,M1A')
Expecting:
    [['G', 'X'], ['M1', 'A']]
ok
35 items had no tests:
    ase.dft.kpoints
    ase.dft.kpoints.BandPath.__getitem__
    ase.dft.kpoints.BandPath.__init__
    ase.dft.kpoints.BandPath.__iter__
    ase.dft.kpoints.BandPath.__repr__
    ase.dft.kpoints.BandPath._find_special_point_indices
    ase.dft.kpoints.BandPath._scale
    ase.dft.kpoints.BandPath.cartesian_kpts
    ase.dft.kpoints.BandPath.cell
    ase.dft.kpoints.BandPath.free_electron_band_structure
    ase.dft.kpoints.BandPath.get_linear_kpoint_axis
    ase.dft.kpoints.BandPath.icell
    ase.dft.kpoints.BandPath.interpolate
    ase.dft.kpoints.BandPath.kpts
    ase.dft.kpoints.BandPath.path
    ase.dft.kpoints.BandPath.plot
    ase.dft.kpoints.BandPath.special_points
    ase.dft.kpoints.BandPath.todict
    ase.dft.kpoints.BandPath.transform
    ase.dft.kpoints._mindistance2monkhorstpack
    ase.dft.kpoints.bandpath
    ase.dft.kpoints.find_bandpath_kinks
    ase.dft.kpoints.get_monkhorst_pack_size_and_offset
    ase.dft.kpoints.get_monkhorst_shape
    ase.dft.kpoints.get_special_points
    ase.dft.kpoints.indices_to_axis_coords
    ase.dft.kpoints.kpoint_convert
    ase.dft.kpoints.labels_from_kpts
    ase.dft.kpoints.mindistance2monkhorstpack
    ase.dft.kpoints.monkhorst_pack
    ase.dft.kpoints.monkhorst_pack_interpolate
    ase.dft.kpoints.normalize_special_points
    ase.dft.kpoints.paths2kpts
    ase.dft.kpoints.resolve_custom_points
    ase.dft.kpoints.resolve_kpt_path_string
2 items passed all tests:
   6 tests in ase.dft.kpoints.BandPath
   2 tests in ase.dft.kpoints.parse_path_string
8 tests in 37 items.
8 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_eos_0
Trying:
    from ase.build import bulk
Expecting nothing
ok
Trying:
    from ase.calculators.emt import EMT
Expecting nothing
ok
Trying:
    from ase.eos import calculate_eos
Expecting nothing
ok
Trying:
    a = bulk('Cu', 'fcc', a=3.6)
Expecting nothing
ok
Trying:
    a.calc = EMT()
Expecting nothing
ok
Trying:
    eos = calculate_eos(a, trajectory='Cu.traj')
Expecting nothing
ok
Trying:
    v, e, B = eos.fit()
Expecting nothing
ok
Trying:
    a = (4 * v)**(1 / 3.0)
Expecting nothing
ok
Trying:
    print('{0:.6f}'.format(a))
Expecting:
    3.589825
ok
21 items had no tests:
    ase.eos
    ase.eos.CLICommand
    ase.eos.CLICommand.add_arguments
    ase.eos.CLICommand.run
    ase.eos.EquationOfState
    ase.eos.EquationOfState.__init__
    ase.eos.EquationOfState.fit
    ase.eos.EquationOfState.fit_sjeos
    ase.eos.EquationOfState.getplotdata
    ase.eos.EquationOfState.plot
    ase.eos.antonschmidt
    ase.eos.birch
    ase.eos.birchmurnaghan
    ase.eos.check_birchmurnaghan
    ase.eos.murnaghan
    ase.eos.p3
    ase.eos.parabola
    ase.eos.plot
    ase.eos.pouriertarantola
    ase.eos.taylor
    ase.eos.vinet
1 item passed all tests:
   9 tests in ase.eos.calculate_eos
9 tests in 22 items.
9 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_formula_0
Trying:
    'OH' in Formula('H2O')
Expecting:
    True
ok
Trying:
    'O2' in Formula('H2O')
Expecting:
    False
ok
Trying:
    divmod(Formula('H2O'), 'H')
Expecting:
    (2, Formula('O'))
ok
Trying:
    Formula('CO') == Formula('OC')
Expecting:
    True
ok
Trying:
    f = Formula('OH2')
Expecting nothing
ok
Trying:
    '{f}, {f:hill}, {f:latex}'.format(f=f)
Expecting:
    'OH2, H2O, OH$_{2}$'
ok
Trying:
    from ase.formula import Formula
Expecting nothing
ok
Trying:
    w = Formula('H2O')
Expecting nothing
ok
Trying:
    w.count()
Expecting:
    {'H': 2, 'O': 1}
ok
Trying:
    'H' in w
Expecting:
    True
ok
Trying:
    w == 'HOH'
Expecting:
    True
ok
Trying:
    f'{w:latex}'
Expecting:
    'H$_{2}$O'
ok
Trying:
    w.format('latex')
Expecting:
    'H$_{2}$O'
ok
Trying:
    divmod(6 * w + 'Cu', w)
Expecting:
    (6, Formula('Cu'))
ok
Trying:
    Formula('H2O').count()
Expecting:
    {'H': 2, 'O': 1}
ok
Trying:
    Formula('H2O').format('html')
Expecting:
    'H<sub>2</sub>O'
ok
Trying:
    Formula.from_dict({'H': 2})
Expecting:
    Formula('H2')
ok
Trying:
    Formula('2H2O').reduce()
Expecting:
    (Formula('H2O'), 2)
ok
Trying:
    Formula('CO2').stoichiometry()
Expecting:
    (Formula('AB2'), Formula('CO2'), 1)
ok
Trying:
    Formula('(H2O)4').stoichiometry()
Expecting:
    (Formula('AB2'), Formula('OH2'), 4)
ok
Trying:
    dict2str({'A': 1, 'B': 2})
Expecting:
    'AB2'
ok
Trying:
    parse('2A+BC2')
Expecting:
    [('A', 2), (['B', ('C', 2)], 1)]
ok
Trying:
    parse('10(H2O)')
Expecting:
    [(([('H', 2), 'O'], 1), 10)]
ok
Trying:
    strip_number('10AB2')
Expecting:
    (10, 'AB2')
ok
Trying:
    strip_number('AB2')
Expecting:
    (1, 'AB2')
ok
26 items had no tests:
    ase.formula
    ase.formula.Formula
    ase.formula.Formula.__add__
    ase.formula.Formula.__floordiv__
    ase.formula.Formula.__getitem__
    ase.formula.Formula.__iter__
    ase.formula.Formula.__len__
    ase.formula.Formula.__mod__
    ase.formula.Formula.__mul__
    ase.formula.Formula.__radd__
    ase.formula.Formula.__rdivmod__
    ase.formula.Formula.__repr__
    ase.formula.Formula.__rfloordiv__
    ase.formula.Formula.__rmod__
    ase.formula.Formula.__rmul__
    ase.formula.Formula.__str__
    ase.formula.Formula._reduce
    ase.formula.Formula._tostr
    ase.formula.Formula._tree_iter
    ase.formula.Formula.convert
    ase.formula.Formula.from_list
    ase.formula.count_tree
    ase.formula.formula_hill
    ase.formula.formula_metal
    ase.formula.periodic_table_order
    ase.formula.tree2str
14 items passed all tests:
   2 tests in ase.formula.Formula.__contains__
   1 test in ase.formula.Formula.__divmod__
   1 test in ase.formula.Formula.__eq__
   2 tests in ase.formula.Formula.__format__
   8 tests in ase.formula.Formula.__init__
   1 test in ase.formula.Formula.count
   1 test in ase.formula.Formula.format
   1 test in ase.formula.Formula.from_dict
   1 test in ase.formula.Formula.reduce
   2 tests in ase.formula.Formula.stoichiometry
   1 test in ase.formula.dict2str
   1 test in ase.formula.parse
   1 test in ase.formula.parse2
   2 tests in ase.formula.strip_number
25 tests in 40 items.
25 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_geometry_cell0
Trying:
    from ase.geometry.cell import cellpar_to_cell
Expecting nothing
ok
Trying:
    cell = cellpar_to_cell([1, 2, 4, 10, 20, 30], (0, 1, 1), (1, 2, 3))
Expecting nothing
ok
Trying:
    np.round(cell, 3)
Expecting:
    array([[ 0.816, -0.408,  0.408],
           [ 1.992, -0.13 ,  0.13 ],
           [ 3.859, -0.745,  0.745]])
ok
8 items had no tests:
    ase.geometry.cell
    ase.geometry.cell.angle
    ase.geometry.cell.cell_to_cellpar
    ase.geometry.cell.complete_cell
    ase.geometry.cell.is_orthorhombic
    ase.geometry.cell.metric_from_cell
    ase.geometry.cell.orthorhombic
    ase.geometry.cell.unit_vector
1 item passed all tests:
   3 tests in ase.geometry.cell.cellpar_to_cell
3 tests in 9 items.
3 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_geometry_geom0
Trying:
    import numpy as np
Expecting nothing
ok
Trying:
    from ase.spacegroup import crystal
Expecting nothing
ok
Trying:
    from ase.geometry.geometry import get_layers
Expecting nothing
ok
Trying:
    atoms = crystal('Al', [(0,0,0)], spacegroup=225, cellpar=4.05)
Expecting nothing
ok
Trying:
    np.round(atoms.positions, decimals=5)  # doctest: +NORMALIZE_WHITESPACE
Expecting:
    array([[ 0.   ,  0.   ,  0.   ],
           [ 0.   ,  2.025,  2.025],
           [ 2.025,  0.   ,  2.025],
           [ 2.025,  2.025,  0.   ]])
ok
Trying:
    get_layers(atoms, (0,0,1))  # doctest: +ELLIPSIS
Expecting:
    (array([0, 1, 1, 0]...), array([ 0.   ,  2.025]))
ok
Trying:
    from ase.geometry import wrap_positions
Expecting nothing
ok
Trying:
    wrap_positions([[-0.1, 1.01, -0.5]],
                   [[1, 0, 0], [0, 1, 0], [0, 0, 4]],
                   pbc=[1, 1, 0])
Expecting:
    array([[ 0.9 ,  0.01, -0.5 ]])
ok
15 items had no tests:
    ase.geometry.geometry
    ase.geometry.geometry._row_col_from_pdist
    ase.geometry.geometry.conditional_find_mic
    ase.geometry.geometry.find_mic
    ase.geometry.geometry.general_find_mic
    ase.geometry.geometry.get_angles
    ase.geometry.geometry.get_angles_derivatives
    ase.geometry.geometry.get_dihedrals
    ase.geometry.geometry.get_dihedrals_derivatives
    ase.geometry.geometry.get_distances
    ase.geometry.geometry.get_distances_derivatives
    ase.geometry.geometry.get_duplicate_atoms
    ase.geometry.geometry.naive_find_mic
    ase.geometry.geometry.permute_axes
    ase.geometry.geometry.translate_pretty
2 items passed all tests:
   6 tests in ase.geometry.geometry.get_layers
   2 tests in ase.geometry.geometry.wrap_positions
8 tests in 17 items.
8 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_io_ulm_0
Trying:
    import numpy as np
Expecting nothing
ok
Trying:
    import ase.io.ulm as ulm
Expecting nothing
ok
Trying:
    with ulm.open('x.ulm', 'w') as w:
        w.write(a=np.ones(7), b=42, c='abc')
        w.write(d=3.14)
Expecting nothing
ok
Trying:
    r = ulm.open('x.ulm')
Expecting nothing
ok
Trying:
    print(r.c)
Expecting:
    abc
ok
Trying:
    r.close()
Expecting nothing
ok
Trying:
    w = ulm.open('x.ulm', 'a')
Expecting nothing
ok
Trying:
    w.add_array('bigarray', (10, 1000), float)
Expecting nothing
ok
Trying:
    for i in range(10):
        w.fill(np.ones(1000))
Expecting nothing
ok
Trying:
    w.close()
Expecting nothing
ok
Trying:
    with ulm.open('x.ulm') as r:
        print(r.keys())
Expecting:
    dict_keys(['a', 'b', 'c', 'd'])
ok
Trying:
    with ulm.open('x.ulm', index=1) as r:
        print(r.keys())
Expecting:
    dict_keys(['bigarray'])
ok
Trying:
    for i, r in enumerate(ulm.Reader('x.ulm')):
        for k in r.keys():
            print(i, k)
Expecting:
    0 a
    0 b
    0 c
    0 d
    1 bigarray
ok
Trying:
    r.close()
Expecting nothing
ok
Trying:
    r = ulm.Reader('x.ulm')
Expecting nothing
ok
Trying:
    r[1].bigarray.shape
Expecting:
    (10, 1000)
ok
Trying:
    r.close()
Expecting nothing
ok
56 items had no tests:
    ase.io.ulm.DummyWriter
    ase.io.ulm.DummyWriter.__enter__
    ase.io.ulm.DummyWriter.__exit__
    ase.io.ulm.DummyWriter.__len__
    ase.io.ulm.DummyWriter.add_array
    ase.io.ulm.DummyWriter.child
    ase.io.ulm.DummyWriter.close
    ase.io.ulm.DummyWriter.fill
    ase.io.ulm.DummyWriter.sync
    ase.io.ulm.DummyWriter.write
    ase.io.ulm.InvalidULMFileError
    ase.io.ulm.NDArrayReader
    ase.io.ulm.NDArrayReader.__getitem__
    ase.io.ulm.NDArrayReader.__init__
    ase.io.ulm.NDArrayReader.__len__
    ase.io.ulm.NDArrayReader.proxy
    ase.io.ulm.NDArrayReader.read
    ase.io.ulm.Reader
    ase.io.ulm.Reader.__contains__
    ase.io.ulm.Reader.__enter__
    ase.io.ulm.Reader.__exit__
    ase.io.ulm.Reader.__getattr__
    ase.io.ulm.Reader.__getitem__
    ase.io.ulm.Reader.__init__
    ase.io.ulm.Reader.__iter__
    ase.io.ulm.Reader.__len__
    ase.io.ulm.Reader.__str__
    ase.io.ulm.Reader._parse_data
    ase.io.ulm.Reader._read_data
    ase.io.ulm.Reader.asdict
    ase.io.ulm.Reader.close
    ase.io.ulm.Reader.get
    ase.io.ulm.Reader.get_tag
    ase.io.ulm.Reader.keys
    ase.io.ulm.Reader.proxy
    ase.io.ulm.Reader.tostr
    ase.io.ulm.Writer
    ase.io.ulm.Writer.__enter__
    ase.io.ulm.Writer.__exit__
    ase.io.ulm.Writer.__init__
    ase.io.ulm.Writer.__len__
    ase.io.ulm.Writer._write_header
    ase.io.ulm.Writer.add_array
    ase.io.ulm.Writer.child
    ase.io.ulm.Writer.close
    ase.io.ulm.Writer.fill
    ase.io.ulm.Writer.sync
    ase.io.ulm.Writer.write
    ase.io.ulm.align
    ase.io.ulm.copy
    ase.io.ulm.file_has_fileno
    ase.io.ulm.open
    ase.io.ulm.print_ulm_info
    ase.io.ulm.read_header
    ase.io.ulm.readints
    ase.io.ulm.writeint
1 item passed all tests:
  17 tests in ase.io.ulm
17 tests in 57 items.
17 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_lattice_0
Trying:
    from ase.lattice import FCC, MCL
Expecting nothing
ok
Trying:
    FCC.name
Expecting:
    'FCC'
ok
Trying:
    FCC.longname
Expecting:
    'face-centred cubic'
ok
Trying:
    FCC.pearson_symbol
Expecting:
    'cF'
ok
Trying:
    MCL.parameters
Expecting:
    ('a', 'b', 'c', 'alpha')
ok
Trying:
    MCL(3, 4, 5, 80)
Expecting:
    MCL(a=3, b=4, c=5, alpha=80)
ok
Trying:
    from ase.lattice import BCT
Expecting nothing
ok
Trying:
    BCT(3, 5).bandpath()
Expecting:
    BandPath(path='GXYSGZS1NPY1Z,XP', cell=[3x3], special_points={GNPSS1XYY1Z}, kpts=[51x3])
ok
Trying:
    BCT(3, 5).special_path
Expecting:
    'GXYSGZS1NPY1Z,XP'
ok
Trying:
    from ase.lattice import BCT
Expecting nothing
ok
Trying:
    BCT(3, 5).special_point_names
Expecting:
    ['G', 'N', 'P', 'S', 'S1', 'X', 'Y', 'Y1', 'Z']
ok
Trying:
    from ase.lattice import BCT
Expecting nothing
ok
Trying:
    BCT(3, 5).variant
Expecting:
    'BCT2'
ok
132 items had no tests:
    ase.lattice
    ase.lattice.BCC
    ase.lattice.BCC._cell
    ase.lattice.BCT
    ase.lattice.BCT.__init__
    ase.lattice.BCT._cell
    ase.lattice.BCT._special_points
    ase.lattice.BCT._variant_name
    ase.lattice.BravaisLattice.__format__
    ase.lattice.BravaisLattice.__getattr__
    ase.lattice.BravaisLattice.__init__
    ase.lattice.BravaisLattice.__repr__
    ase.lattice.BravaisLattice.__str__
    ase.lattice.BravaisLattice._cell
    ase.lattice.BravaisLattice._special_points
    ase.lattice.BravaisLattice._variant_name
    ase.lattice.BravaisLattice.cellpar
    ase.lattice.BravaisLattice.conventional
    ase.lattice.BravaisLattice.description
    ase.lattice.BravaisLattice.get_special_points
    ase.lattice.BravaisLattice.get_special_points_array
    ase.lattice.BravaisLattice.plot_bz
    ase.lattice.BravaisLattice.tocell
    ase.lattice.BravaisLattice.type_description
    ase.lattice.BravaisLattice.vars
    ase.lattice.CRECT
    ase.lattice.CRECT.__init__
    ase.lattice.CRECT._cell
    ase.lattice.CRECT._special_points
    ase.lattice.CUB
    ase.lattice.CUB._cell
    ase.lattice.Cubic
    ase.lattice.Cubic.__init__
    ase.lattice.FCC
    ase.lattice.FCC._cell
    ase.lattice.HEX
    ase.lattice.HEX.__init__
    ase.lattice.HEX._cell
    ase.lattice.HEX2D
    ase.lattice.HEX2D.__init__
    ase.lattice.HEX2D._cell
    ase.lattice.LINE
    ase.lattice.LINE.__init__
    ase.lattice.LINE._cell
    ase.lattice.LatticeChecker
    ase.lattice.LatticeChecker.BCC
    ase.lattice.LatticeChecker.BCT
    ase.lattice.LatticeChecker.CRECT
    ase.lattice.LatticeChecker.CUB
    ase.lattice.LatticeChecker.FCC
    ase.lattice.LatticeChecker.HEX
    ase.lattice.LatticeChecker.HEX2D
    ase.lattice.LatticeChecker.LINE
    ase.lattice.LatticeChecker.MCL
    ase.lattice.LatticeChecker.MCLC
    ase.lattice.LatticeChecker.OBL
    ase.lattice.LatticeChecker.ORC
    ase.lattice.LatticeChecker.ORCC
    ase.lattice.LatticeChecker.ORCF
    ase.lattice.LatticeChecker.ORCI
    ase.lattice.LatticeChecker.RECT
    ase.lattice.LatticeChecker.RHL
    ase.lattice.LatticeChecker.SQR
    ase.lattice.LatticeChecker.TET
    ase.lattice.LatticeChecker.TRI
    ase.lattice.LatticeChecker.__init__
    ase.lattice.LatticeChecker._bct_orci_lengths
    ase.lattice.LatticeChecker._check
    ase.lattice.LatticeChecker._orcc_ab
    ase.lattice.LatticeChecker.match
    ase.lattice.LatticeChecker.query
    ase.lattice.MCL
    ase.lattice.MCL.__init__
    ase.lattice.MCL._cell
    ase.lattice.MCL._special_points
    ase.lattice.MCL._variant_name
    ase.lattice.MCLC
    ase.lattice.MCLC.__init__
    ase.lattice.MCLC._cell
    ase.lattice.MCLC._special_points
    ase.lattice.MCLC._variant_name
    ase.lattice.OBL
    ase.lattice.OBL.__init__
    ase.lattice.OBL._cell
    ase.lattice.OBL._special_points
    ase.lattice.ORC
    ase.lattice.ORC._cell
    ase.lattice.ORCC
    ase.lattice.ORCC.__init__
    ase.lattice.ORCC._cell
    ase.lattice.ORCC._special_points
    ase.lattice.ORCF
    ase.lattice.ORCF._cell
    ase.lattice.ORCF._special_points
    ase.lattice.ORCF._variant_name
    ase.lattice.ORCI
    ase.lattice.ORCI._cell
    ase.lattice.ORCI._special_points
    ase.lattice.Orthorhombic
    ase.lattice.Orthorhombic.__init__
    ase.lattice.RECT
    ase.lattice.RECT.__init__
    ase.lattice.RECT._cell
    ase.lattice.RHL
    ase.lattice.RHL.__init__
    ase.lattice.RHL._cell
    ase.lattice.RHL._special_points
    ase.lattice.RHL._variant_name
    ase.lattice.SQR
    ase.lattice.SQR.__init__
    ase.lattice.SQR._cell
    ase.lattice.TET
    ase.lattice.TET.__init__
    ase.lattice.TET._cell
    ase.lattice.TRI
    ase.lattice.TRI.__init__
    ase.lattice.TRI._cell
    ase.lattice.TRI._special_points
    ase.lattice.TRI._variant_name
    ase.lattice.UnconventionalLattice
    ase.lattice.Variant
    ase.lattice.Variant.__init__
    ase.lattice.Variant.__str__
    ase.lattice.all_variants
    ase.lattice.bravaisclass
    ase.lattice.celldiff
    ase.lattice.check_mcl
    ase.lattice.check_orc
    ase.lattice.check_rect
    ase.lattice.get_lattice_from_canonical_cell
    ase.lattice.get_subset_points
    ase.lattice.identify_lattice
5 items passed all tests:
   6 tests in ase.lattice.BravaisLattice
   2 tests in ase.lattice.BravaisLattice.bandpath
   1 test in ase.lattice.BravaisLattice.special_path
   2 tests in ase.lattice.BravaisLattice.special_point_names
   2 tests in ase.lattice.BravaisLattice.variant
13 tests in 137 items.
13 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_phasediagram_0
Trying:
    from ase.phasediagram import Pourbaix, solvated
Expecting nothing
ok
Trying:
    refs = solvated('CoO') + [
        ('Co', 0.0),
        ('CoO', -2.509),
        ('Co3O4', -9.402)]
Expecting nothing
ok
Trying:
    pb = Pourbaix(refs, Co=3, O=4)
Expecting nothing
ok
Trying:
    coefs, energy = pb.decompose(U=1.5, pH=0,
                                 concentration=1e-6,
                                 verbose=True)
Expecting:
    0    HCoO2-(aq)    -3.974
    1    CoO2--(aq)    -3.098
    2    H2O(aq)       -2.458
    3    CoOH+(aq)     -2.787
    4    CoO(aq)       -2.265
    5    CoOH++(aq)    -1.355
    6    Co++(aq)      -0.921
    7    H+(aq)         0.000
    8    Co+++(aq)      1.030
    9    Co             0.000
    10   CoO           -2.509
    11   Co3O4         -9.402
    12   e-            -1.500
    reference    coefficient      energy
    ------------------------------------
    H2O(aq)                4      -2.458
    Co++(aq)               3      -0.921
    H+(aq)                -8       0.000
    e-                    -2      -1.500
    ------------------------------------
    Total energy:                 -9.596
    ------------------------------------
ok
18 items had no tests:
    ase.phasediagram
    ase.phasediagram.PhaseDiagram
    ase.phasediagram.PhaseDiagram.__init__
    ase.phasediagram.PhaseDiagram.decompose
    ase.phasediagram.PhaseDiagram.plot
    ase.phasediagram.PhaseDiagram.plot2d2
    ase.phasediagram.PhaseDiagram.plot2d3
    ase.phasediagram.PhaseDiagram.plot3d3
    ase.phasediagram.PhaseDiagram.plot3d4
    ase.phasediagram.Pourbaix
    ase.phasediagram.Pourbaix.__init__
    ase.phasediagram.Pourbaix.colorfunction
    ase.phasediagram.Pourbaix.diagram
    ase.phasediagram.bisect
    ase.phasediagram.float2str
    ase.phasediagram.parse_formula
    ase.phasediagram.print_results
    ase.phasediagram.solvated
1 item passed all tests:
   4 tests in ase.phasediagram.Pourbaix.decompose
4 tests in 19 items.
4 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_spacegroup_sp0
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)
Expecting nothing
ok
Trying:
    print('Space group', sg.no, sg.symbol)
Expecting:
    Space group 225 F m -3 m
ok
Trying:
    sg.scaled_primitive_cell
Expecting:
    array([[ 0. ,  0.5,  0.5],
           [ 0.5,  0. ,  0.5],
           [ 0.5,  0.5,  0. ]])
ok
Trying:
    sites, kinds = sg.equivalent_sites([[0,0,0]])
Expecting nothing
ok
Trying:
    sites
Expecting:
    array([[ 0. ,  0. ,  0. ],
           [ 0. ,  0.5,  0.5],
           [ 0.5,  0. ,  0.5],
           [ 0.5,  0.5,  0. ]])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.equivalent_lattice_points([[0, 0, 2]])
Expecting:
    array([[ 0,  0, -2],
           [ 0, -2,  0],
           [-2,  0,  0],
           [ 2,  0,  0],
           [ 0,  2,  0],
           [ 0,  0,  2]])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.equivalent_reflections([[0, 0, 2]])
Expecting:
    array([[ 0,  0, -2],
           [ 0, -2,  0],
           [-2,  0,  0],
           [ 2,  0,  0],
           [ 0,  2,  0],
           [ 0,  0,  2]])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sites, kinds = sg.equivalent_sites([[0, 0, 0], [0.5, 0.0, 0.0]])
Expecting nothing
ok
Trying:
    sites
Expecting:
    array([[ 0. ,  0. ,  0. ],
           [ 0. ,  0.5,  0.5],
           [ 0.5,  0. ,  0.5],
           [ 0.5,  0.5,  0. ],
           [ 0.5,  0. ,  0. ],
           [ 0. ,  0.5,  0. ],
           [ 0. ,  0. ,  0.5],
           [ 0.5,  0.5,  0.5]])
ok
Trying:
    kinds
Expecting:
    [0, 0, 0, 0, 1, 1, 1, 1]
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.symmetry_normalised_reflections([[2, 0, 0], [0, 2, 0]])
Expecting:
    array([[ 0,  0, -2],
           [ 0,  0, -2]])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.symmetry_normalised_sites([[0.0, 0.5, 0.5], [1.0, 1.0, 0.0]])
Expecting:
    array([[ 0.,  0.,  0.],
           [ 0.,  0.,  0.]])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.tag_sites([[0.0, 0.0, 0.0],
                  [0.5, 0.5, 0.0],
                  [1.0, 0.0, 0.0],
                  [0.5, 0.0, 0.0]])
Expecting:
    array([0, 0, 0, 1])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.unique_reflections([[ 2,  0,  0],
                           [ 0, -2,  0],
                           [ 2,  2,  0],
                           [ 0, -2, -2]])
Expecting:
    array([[2, 0, 0],
           [2, 2, 0]])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.unique_sites([[0.0, 0.0, 0.0],
                     [0.5, 0.5, 0.0],
                     [1.0, 0.0, 0.0],
                     [0.5, 0.0, 0.0]])
Expecting:
    array([[ 0. ,  0. ,  0. ],
           [ 0.5,  0. ,  0. ]])
ok
Trying:
    symlist = [
        'x,y,z',
        '-y+1/2,x+1/2,z',
        '-y,-x,-z',
        'x-1/4, y-1/4, -z'
    ]
Expecting nothing
ok
Trying:
    rot, trans = parse_sitesym(symlist)
Expecting nothing
ok
Trying:
    rot
Expecting:
    array([[[ 1,  0,  0],
            [ 0,  1,  0],
            [ 0,  0,  1]],
    <BLANKLINE>
           [[ 0, -1,  0],
            [ 1,  0,  0],
            [ 0,  0,  1]],
    <BLANKLINE>
           [[ 0, -1,  0],
            [-1,  0,  0],
            [ 0,  0, -1]],
    <BLANKLINE>
           [[ 1,  0,  0],
            [ 0,  1,  0],
            [ 0,  0, -1]]])
ok
Trying:
    trans
Expecting:
    array([[ 0.  ,  0.  ,  0.  ],
           [ 0.5 ,  0.5 ,  0.  ],
           [ 0.  ,  0.  ,  0.  ],
           [-0.25, -0.25,  0.  ]])
ok
Trying:
    parse_sitesym_element("x")
Expecting:
    ([(0, 1)], 0.0)
ok
Trying:
    parse_sitesym_element("-1/2-y")
Expecting:
    ([(1, -1)], -0.5)
ok
Trying:
    parse_sitesym_element("z+0.25")
Expecting:
    ([(2, 1)], 0.25)
ok
Trying:
    parse_sitesym_element("x-z+0.5")
Expecting:
    ([(0, 1), (2, -1)], 0.5)
ok
37 items had no tests:
    ase.spacegroup.spacegroup
    ase.spacegroup.spacegroup.Spacegroup.__eq__
    ase.spacegroup.spacegroup.Spacegroup.__index__
    ase.spacegroup.spacegroup.Spacegroup.__init__
    ase.spacegroup.spacegroup.Spacegroup.__lt__
    ase.spacegroup.spacegroup.Spacegroup.__ne__
    ase.spacegroup.spacegroup.Spacegroup.__repr__
    ase.spacegroup.spacegroup.Spacegroup.__str__
    ase.spacegroup.spacegroup.Spacegroup._get_nsymop
    ase.spacegroup.spacegroup.Spacegroup.centrosymmetric
    ase.spacegroup.spacegroup.Spacegroup.get_op
    ase.spacegroup.spacegroup.Spacegroup.get_rotations
    ase.spacegroup.spacegroup.Spacegroup.get_symop
    ase.spacegroup.spacegroup.Spacegroup.lattice
    ase.spacegroup.spacegroup.Spacegroup.no
    ase.spacegroup.spacegroup.Spacegroup.nsubtrans
    ase.spacegroup.spacegroup.Spacegroup.nsymop
    ase.spacegroup.spacegroup.Spacegroup.reciprocal_cell
    ase.spacegroup.spacegroup.Spacegroup.rotations
    ase.spacegroup.spacegroup.Spacegroup.scaled_primitive_cell
    ase.spacegroup.spacegroup.Spacegroup.setting
    ase.spacegroup.spacegroup.Spacegroup.subtrans
    ase.spacegroup.spacegroup.Spacegroup.symbol
    ase.spacegroup.spacegroup.Spacegroup.todict
    ase.spacegroup.spacegroup.Spacegroup.translations
    ase.spacegroup.spacegroup.SpacegroupError
    ase.spacegroup.spacegroup.SpacegroupNotFoundError
    ase.spacegroup.spacegroup.SpacegroupValueError
    ase.spacegroup.spacegroup._read_datafile
    ase.spacegroup.spacegroup._read_datafile_entry
    ase.spacegroup.spacegroup._skip_to_blank
    ase.spacegroup.spacegroup._skip_to_nonblank
    ase.spacegroup.spacegroup.format_symbol
    ase.spacegroup.spacegroup.get_datafile
    ase.spacegroup.spacegroup.get_spacegroup
    ase.spacegroup.spacegroup.parse_sitesym_single
    ase.spacegroup.spacegroup.spacegroup_from_data
11 items passed all tests:
   6 tests in ase.spacegroup.spacegroup.Spacegroup
   3 tests in ase.spacegroup.spacegroup.Spacegroup.equivalent_lattice_points
   3 tests in ase.spacegroup.spacegroup.Spacegroup.equivalent_reflections
   5 tests in ase.spacegroup.spacegroup.Spacegroup.equivalent_sites
   3 tests in ase.spacegroup.spacegroup.Spacegroup.symmetry_normalised_reflections
   3 tests in ase.spacegroup.spacegroup.Spacegroup.symmetry_normalised_sites
   3 tests in ase.spacegroup.spacegroup.Spacegroup.tag_sites
   3 tests in ase.spacegroup.spacegroup.Spacegroup.unique_reflections
   3 tests in ase.spacegroup.spacegroup.Spacegroup.unique_sites
   4 tests in ase.spacegroup.spacegroup.parse_sitesym
   4 tests in ase.spacegroup.spacegroup.parse_sitesym_element
40 tests in 48 items.
40 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_spacegroup_xt0
Trying:
    diamond = crystal('C', [(0,0,0)], spacegroup=227,
        cellpar=[3.57, 3.57, 3.57, 90, 90, 90], size=(2,1,1))
Expecting nothing
ok
Trying:
    skutterudite = crystal(('Co', 'Sb'),
        basis=[(0.25,0.25,0.25), (0.0, 0.335, 0.158)],
        spacegroup=204, cellpar=[9.04, 9.04, 9.04, 90, 90, 90])
Expecting nothing
ok
Trying:
    len(skutterudite)
Expecting:
    32
ok
2 items had no tests:
    ase.spacegroup.xtal
    ase.spacegroup.xtal.parse_symbols
1 item passed all tests:
   4 tests in ase.spacegroup.xtal.crystal
4 tests in 3 items.
4 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_symbols_0
Trying:
    from ase.build import molecule
Expecting nothing
ok
Trying:
    atoms = molecule('CH3CH2OH')
Expecting nothing
ok
Trying:
    atoms.symbols
Expecting:
    Symbols('C2OH6')
ok
Trying:
    atoms.symbols[:3]
Expecting:
    Symbols('C2O')
ok
Trying:
    atoms.symbols == 'H'  # doctest: +ELLIPSIS
Expecting:
    array([False, False, False,  True,  True,  True,  True,  True,  True]...)
ok
Trying:
    atoms.symbols[-3:] = 'Pu'
Expecting nothing
ok
Trying:
    atoms.symbols
Expecting:
    Symbols('C2OH3Pu3')
ok
Trying:
    atoms.symbols[3:6] = 'Mo2U'
Expecting nothing
ok
Trying:
    atoms.symbols
Expecting:
    Symbols('C2OMo2UPu3')
ok
Trying:
    atoms.symbols.formula
Expecting:
    Formula('C2OMo2UPu3')
ok
Trying:
    from ase.build import molecule
Expecting nothing
ok
Trying:
    atoms = molecule('CH3CH2OH')
Expecting nothing
ok
Trying:
    atoms.symbols.indices()
Expecting:
    {'C': array([0, 1]), 'O': array([2]), 'H': array([3, 4, 5, 6, 7, 8])}
ok
Trying:
    from ase import Atoms
Expecting nothing
ok
Trying:
    atoms = Atoms('CH3CH2OH')
Expecting nothing
ok
Trying:
    atoms.symbols.species_indices()
Expecting:
    [0, 0, 1, 2, 1, 3, 4, 0, 5]
ok
16 items had no tests:
    ase.symbols
    ase.symbols.Symbols.__eq__
    ase.symbols.Symbols.__getitem__
    ase.symbols.Symbols.__init__
    ase.symbols.Symbols.__iter__
    ase.symbols.Symbols.__len__
    ase.symbols.Symbols.__repr__
    ase.symbols.Symbols.__setitem__
    ase.symbols.Symbols.__str__
    ase.symbols.Symbols.formula
    ase.symbols.Symbols.fromsymbols
    ase.symbols.Symbols.get_chemical_formula
    ase.symbols.Symbols.search
    ase.symbols.Symbols.species
    ase.symbols.string2symbols
    ase.symbols.symbols2numbers
3 items passed all tests:
  10 tests in ase.symbols.Symbols
   3 tests in ase.symbols.Symbols.indices
   3 tests in ase.symbols.Symbols.species_indices
16 tests in 19 items.
16 passed.
Test passed.
.Global seed for "test/test_doctests.py:test_doctest" was: 11075

test_dos.py 1 0.9299626898963925 0.18743848860920487
2 0.9927495451884892 0.030735387638790024
3 0.9992955629260614 0.06028777305296418
.Global seed for "test/test_dos.py:test_dos" was: 8232

test_eos.py sj                   31.86600646 -0.00976172 0.24674496 
taylor               31.86551108 -0.00976228 0.24698302 
murnaghan            31.86614781 -0.00976145 0.24666006 
birch                31.86576826 -0.00976213 0.24687770 
birchmurnaghan       31.86576826 -0.00976213 0.24687770 
pouriertarantola     31.86609821 -0.00976151 0.24668405 
vinet                31.86607869 -0.00976153 0.24669138 
p3                   31.86551087 -0.00976228 0.24698296 
[6.36939694e-04 8.25791138e-07 3.22966235e-04]
[ 3.18658612e+01 -9.76187822e-03  2.46812726e-01]
.Global seed for "test/test_eos.py:test_eos" was: 2762

test_example.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_example0
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:27:23       -9.478877       7.6030
BFGSLineSearch:    1[  3] 18:27:23      -11.689694       1.6288
BFGSLineSearch:    2[  5] 18:27:23      -11.699567       0.1494
BFGSLineSearch:    3[  7] 18:27:23      -11.699621       0.0730
BFGSLineSearch:    4[  9] 18:27:23      -11.699646       0.0007
Atoms(symbols='H7', pbc=False, constraint=FixAtoms(indices=[0, 1, 2, 3, 4, 5]), calculator=MorsePotential(...))
Atoms(symbols='H6', pbc=False, constraint=FixAtoms(indices=[0, 1, 2, 3, 4, 5]), calculator=MorsePotential(...))
Atoms(symbols='H5', pbc=False, constraint=FixAtoms(indices=[0, 1, 2, 3, 4]), calculator=MorsePotential(...))
.Global seed for "test/test_example.py:test_example" was: 10997

test_external_viewer.py .Global seed for "test/test_external_viewer.py:test_view_ase" was: 7205
.Global seed for "test/test_external_viewer.py:test_view_ase_via_cli" was: 6540
sGlobal seed for "test/test_external_viewer.py:test_good_viewer" was: 11879
sGlobal seed for "test/test_external_viewer.py:test_good_viewer" was: 11879
.Global seed for "test/test_external_viewer.py:test_bad_viewer" was: 7886
viewing Atoms(symbols='Au', pbc=True, cell=[[0.0, 2.04, 2.04], [2.04, 0.0, 2.04], [2.04, 2.04, 0.0]]) with mock "sage"
viewing Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]) with mock "sage"
.Global seed for "test/test_external_viewer.py:test_py_viewer_mock" was: 10738
.Global seed for "test/test_external_viewer.py:test_cli_viewer_tempfile" was: 12265
.Global seed for "test/test_external_viewer.py:test_cli_viewer_tempfile" was: 12265
.Global seed for "test/test_external_viewer.py:test_cli_viewer_tempfile" was: 12265
.Global seed for "test/test_external_viewer.py:test_cli_viewer_tempfile" was: 12265
.Global seed for "test/test_external_viewer.py:test_cli_viewer_tempfile" was: 12265
.Global seed for "test/test_external_viewer.py:test_cli_viewer_tempfile" was: 12265
/tmp/ase-view-m1bj9wa6/atoms.traj: ASE trajectory (traj)
.Global seed for "test/test_external_viewer.py:test_cli_viewer_blocking" was: 4075
/tmp/ase-view-hrn_i6d7/atoms.traj: ASE trajectory (traj)
.Global seed for "test/test_external_viewer.py:test_cli_viewer" was: 7872

test_filecache.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_basic_json_0
.Global seed for "test/test_filecache.py:test_basic" was: 8936
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_basic_ulm_0
.Global seed for "test/test_filecache.py:test_basic" was: 8936
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_numpy_array_json_0
.Global seed for "test/test_filecache.py:test_numpy_array" was: 383
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_numpy_array_ulm_0
.Global seed for "test/test_filecache.py:test_numpy_array" was: 383
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cache_json_dct0_0
.Global seed for "test/test_filecache.py:test_cache" was: 5534
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cache_json_dct1_0
.Global seed for "test/test_filecache.py:test_cache" was: 5534
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cache_ulm_dct0_0
.Global seed for "test/test_filecache.py:test_cache" was: 5534
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cache_ulm_dct1_0
.Global seed for "test/test_filecache.py:test_cache" was: 5534
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_combine_json_0
.Global seed for "test/test_filecache.py:test_combine" was: 3790
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_combine_ulm_0
.Global seed for "test/test_filecache.py:test_combine" was: 3790
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_split0
.Global seed for "test/test_filecache.py:test_split" was: 3149
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lock_json_0
.Global seed for "test/test_filecache.py:test_lock" was: 11190
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_lock_ulm_0
.Global seed for "test/test_filecache.py:test_lock" was: 11190
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_already_locked_json_0
.Global seed for "test/test_filecache.py:test_already_locked" was: 12099
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_already_locked_ulm_0
.Global seed for "test/test_filecache.py:test_already_locked" was: 12099
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_no_overwrite_combine_json0
.Global seed for "test/test_filecache.py:test_no_overwrite_combine" was: 8038
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_no_overwrite_combine_ulm_0
.Global seed for "test/test_filecache.py:test_no_overwrite_combine" was: 8038

test_forcecurve.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_forcecurve0
.Global seed for "test/test_forcecurve.py:test_forcecurve" was: 9544

test_formula.py .Global seed for "test/test_formula.py:test_formula_things" was: 11524
.Global seed for "test/test_formula.py:test_periodic" was: 6846
.Global seed for "test/test_formula.py:test_periodic" was: 6846
.Global seed for "test/test_formula.py:test_periodic" was: 6846
.Global seed for "test/test_formula.py:test_periodic" was: 6846
.Global seed for "test/test_formula.py:test_periodic" was: 6846
.Global seed for "test/test_formula.py:test_atoms_formula_things" was: 6234
.Global seed for "test/test_formula.py:test_h0c1" was: 10323
'' -> ''
'' -> ''
'' -> ''
'' -> ''
'' -> ''
'' -> ''
'Pu' -> 'Pu'
'Pu' -> 'Pu'
'Pu' -> 'Pu'
'Pu' -> 'Pu'
'Pu' -> 'Pu'
'Pu' -> 'Pu'
'Pu2' -> 'PuPu'
'Pu2' -> 'Pu2'
'Pu2' -> 'Pu2'
'Pu2' -> 'Pu'
'Pu2' -> 'Pu2'
'Pu2' -> 'Pu'
'U2Pu2' -> 'UUPuPu'
'U2Pu2' -> 'U2Pu2'
'U2Pu2' -> 'Pu2U2'
'U2Pu2' -> 'PuU'
'U2Pu2' -> 'Pu2U2'
'U2Pu2' -> 'PuU'
'U2((Pu2)2H)' -> 'UUPuPuPuPuH'
'U2((Pu2)2H)' -> 'U2Pu4H'
'U2((Pu2)2H)' -> 'HPu4U2'
'U2((Pu2)2H)' -> 'HPu4U2'
'U2((Pu2)2H)' -> 'Pu4U2H'
'U2((Pu2)2H)' -> 'Pu4U2H'
.Global seed for "test/test_formula.py:test_formula" was: 6655
.Global seed for "test/test_formula.py:test_convert" was: 9239
.Global seed for "test/test_formula.py:test_formula_on_formula" was: 4608
{'H': 2, 'O': 1} H$_{2}$O
.Global seed for "test/test_formula.py:test_formulas" was: 5700
{'H': 20, 'O': 10} 10H$_{2}$O
.Global seed for "test/test_formula.py:test_formulas" was: 5700
{'Cu': 20, 'O': 80, 'H': 80} 2(CuO$_{2}$(H$_{2}$O)$_{2}$)$_{10}$
.Global seed for "test/test_formula.py:test_formulas" was: 5700
{'Cu': 20, 'H': 2} Cu$_{20}$+H$_{2}$
.Global seed for "test/test_formula.py:test_formulas" was: 5700
{'H': 15} HHHHHHHHHHHHHHH
.Global seed for "test/test_formula.py:test_formulas" was: 5700
{'Au': 1, 'B': 1, 'C': 2} AuBC$_{2}$
.Global seed for "test/test_formula.py:test_formulas" was: 5700
{} 
.Global seed for "test/test_formula.py:test_formulas" was: 5700

test_grid_slice.py .Global seed for "test/test_grid_slice.py:test_slice" was: 1761

test_gromacs.py .Global seed for "test/test_gromacs.py:test_gromacs_1" was: 6688
.Global seed for "test/test_gromacs.py:test_gromacs_2" was: 10500

test_hcp.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_hcp1
2.4890 1.633
Optimization terminated successfully.
         Current function value: -0.029765
         Iterations: 2
         Function evaluations: 15
         Gradient evaluations: 5
2.4657 1.632
Optimization terminated successfully.
         Current function value: -0.029749
         Iterations: 2
         Function evaluations: 15
         Gradient evaluations: 5
2.4665 1.632
Optimization terminated successfully.
         Current function value: -0.029741
         Iterations: 2
         Function evaluations: 12
         Gradient evaluations: 4
2.4665 1.632
.Global seed for "test/test_hcp.py:test_hcp" was: 8078

test_imports.py .Global seed for "test/test_imports.py:test_imports" was: 10421

test_isotopes.py .Global seed for "test/test_isotopes.py:test_isotopes" was: 9233

test_issue276.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_issue2760
.Global seed for "test/test_issue276.py:test_issue276" was: 3968

test_kpts.py BandPath(path='GX,GX', cell=[3x3], special_points={GMRX}, kpts=[6x3])
.Global seed for "test/test_kpts.py:test_kpts" was: 9584

test_kpts2kpts.py 
CUB(a=3)
cell Cell([3.0, 3.0, 3.0])
Original BandPath(path='GXMGRX,MR', cell=[3x3], special_points={GMRX}, kpts=[40x3])
path {'path': 'GXMGRX,MR'}
Produced by kpts2kpts BandPath(path='GXMGRX,MR', cell=[3x3], special_points={GMRX}, kpts=[40x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

FCC(a=3)
cell Cell([[0.0, 1.5, 1.5], [1.5, 0.0, 1.5], [1.5, 1.5, 0.0]])
Original BandPath(path='GXWKGLUWLK,UX', cell=[3x3], special_points={GKLUWX}, kpts=[67x3])
path {'path': 'GXWKGLUWLK,UX'}
Produced by kpts2kpts BandPath(path='GXWKGLUWLK,UX', cell=[3x3], special_points={GKLUWX}, kpts=[67x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

BCC(a=3)
cell Cell([[-1.5, 1.5, 1.5], [1.5, -1.5, 1.5], [1.5, 1.5, -1.5]])
Original BandPath(path='GHNGPH,PN', cell=[3x3], special_points={GHNP}, kpts=[49x3])
path {'path': 'GHNGPH,PN'}
Produced by kpts2kpts BandPath(path='GHNGPH,PN', cell=[3x3], special_points={GHNP}, kpts=[49x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

TET(a=3, c=5)
cell Cell([3.0, 3.0, 5.0])
Original BandPath(path='GXMGZRAZ,XR,MA', cell=[3x3], special_points={AGMRXZ}, kpts=[45x3])
path {'path': 'GXMGZRAZ,XR,MA'}
Produced by kpts2kpts BandPath(path='GXMGZRAZ,XR,MA', cell=[3x3], special_points={AGMRXZ}, kpts=[45x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

BCT(a=6, c=5)
cell Cell([[-3.0, 3.0, 2.5], [3.0, -3.0, 2.5], [3.0, 3.0, -2.5]])
Original BandPath(path='GXMGZPNZ1M,XP', cell=[3x3], special_points={GMNPXZZ1}, kpts=[32x3])
path {'path': 'GXMGZPNZ1M,XP'}
Produced by kpts2kpts BandPath(path='GXMGZPNZ1M,XP', cell=[3x3], special_points={GMNPXZZ1}, kpts=[32x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

BCT(a=3, c=5)
cell Cell([[-1.5, 1.5, 2.5], [1.5, -1.5, 2.5], [1.5, 1.5, -2.5]])
Original BandPath(path='GXYSGZS1NPY1Z,XP', cell=[3x3], special_points={GNPSS1XYY1Z}, kpts=[51x3])
path {'path': 'GXYSGZS1NPY1Z,XP'}
Produced by kpts2kpts BandPath(path='GXYSGZS1NPY1Z,XP', cell=[3x3], special_points={GNPSS1XYY1Z}, kpts=[51x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

ORC(a=3, b=4, c=5)
cell Cell([3.0, 4.0, 5.0])
Original BandPath(path='GXSYGZURTZ,YT,UX,SR', cell=[3x3], special_points={GRSTUXYZ}, kpts=[49x3])
path {'path': 'GXSYGZURTZ,YT,UX,SR'}
Produced by kpts2kpts BandPath(path='GXSYGZURTZ,YT,UX,SR', cell=[3x3], special_points={GRSTUXYZ}, kpts=[49x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

ORCF(a=1.56174, b=4, c=5)
cell Cell([[0.0, 2.0, 2.5], [0.7808688094430303, 0.0, 2.5], [0.7808688094430303, 2.0, 0.0]])
Original BandPath(path='GYTZGXA1Y,TX1,XAZ,LG', cell=[3x3], special_points={AA1GLTXX1YZ}, kpts=[95x3])
path {'path': 'GYTZGXA1Y,TX1,XAZ,LG'}
Produced by kpts2kpts BandPath(path='GYTZGXA1Y,TX1,XAZ,LG', cell=[3x3], special_points={AA1GLTXX1YZ}, kpts=[95x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

ORCF(a=3.74817, b=4, c=5)
cell Cell([[0.0, 2.0, 2.5], [1.8740851426632725, 0.0, 2.5], [1.8740851426632725, 2.0, 0.0]])
Original BandPath(path='GYCDXGZD1HC,C1Z,XH1,HY,LG', cell=[3x3], special_points={CC1DD1GHH1LXYZ}, kpts=[68x3])
path {'path': 'GYCDXGZD1HC,C1Z,XH1,HY,LG'}
Produced by kpts2kpts BandPath(path='GYCDXGZD1HC,C1Z,XH1,HY,LG', cell=[3x3], special_points={CC1DD1GHH1LXYZ}, kpts=[68x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

ORCF(a=3.12348, b=4, c=5)
cell Cell([[0.0, 2.0, 2.5], [1.5617376188860606, 0.0, 2.5], [1.5617376188860606, 2.0, 0.0]])
Original BandPath(path='GYTZGXA1Y,XAZ,LG', cell=[3x3], special_points={AA1GLTXX1YZ}, kpts=[73x3])
path {'path': 'GYTZGXA1Y,XAZ,LG'}
Produced by kpts2kpts BandPath(path='GYTZGXA1Y,XAZ,LG', cell=[3x3], special_points={AA1GLTXX1YZ}, kpts=[73x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

ORCI(a=3, b=4, c=5)
cell Cell([[-1.5, 2.0, 2.5], [1.5, -2.0, 2.5], [1.5, 2.0, -2.5]])
Original BandPath(path='GXLTWRX1ZGYSW,L1Y,Y1Z', cell=[3x3], special_points={GLL1L2RSTWXX1YY1Z}, kpts=[53x3])
path {'path': 'GXLTWRX1ZGYSW,L1Y,Y1Z'}
Produced by kpts2kpts BandPath(path='GXLTWRX1ZGYSW,L1Y,Y1Z', cell=[3x3], special_points={GLL1L2RSTWXX1YY1Z}, kpts=[53x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

ORCC(a=3, b=4, c=5)
cell Cell([[1.5, -2.0, 0.0], [1.5, 2.0, 0.0], [0.0, 0.0, 5.0]])
Original BandPath(path='GXSRAZGYX1A1TY,ZT', cell=[3x3], special_points={AA1GRSTXX1YZ}, kpts=[59x3])
path {'path': 'GXSRAZGYX1A1TY,ZT'}
Produced by kpts2kpts BandPath(path='GXSRAZGYX1A1TY,ZT', cell=[3x3], special_points={AA1GRSTXX1YZ}, kpts=[59x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

HEX(a=3, c=5)
cell Cell([[1.5, -2.598076211353316, 0.0], [1.5, 2.598076211353316, 0.0], [0.0, 0.0, 5.0]])
Original BandPath(path='GMKGALHA,LM,KH', cell=[3x3], special_points={AGHKLM}, kpts=[42x3])
path {'path': 'GMKGALHA,LM,KH'}
Produced by kpts2kpts BandPath(path='GMKGALHA,LM,KH', cell=[3x3], special_points={AGHKLM}, kpts=[42x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

RHL(a=3, alpha=55)
cell Cell([[2.6610324995346653, -1.3852458397051017, 0.0], [2.6610324995346653, 1.3852458397051017, 0.0], [1.9399191584703033, 0.0, 2.2883866934152253]])
Original BandPath(path='GLB1,BZGX,QFP1Z,LP', cell=[3x3], special_points={BB1FGLL1PP1P2QXZ}, kpts=[48x3])
path {'path': 'GLB1,BZGX,QFP1Z,LP'}
Produced by kpts2kpts BandPath(path='GLB1,BZGX,QFP1Z,LP', cell=[3x3], special_points={BB1FGLL1PP1P2QXZ}, kpts=[48x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

RHL(a=3, alpha=105)
cell Cell([[1.826284287026162, -2.3800600208737057, 0.0], [1.826284287026162, 2.3800600208737057, 0.0], [-1.2754703210614213, 0.0, 2.7153591769950944]])
Original BandPath(path='GPZQGFP1Q1LZ', cell=[3x3], special_points={FGLPP1QQ1Z}, kpts=[52x3])
path {'path': 'GPZQGFP1Q1LZ'}
Produced by kpts2kpts BandPath(path='GPZQGFP1Q1LZ', cell=[3x3], special_points={FGLPP1QQ1Z}, kpts=[52x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

MCL(a=3, b=4, c=5, alpha=70)
cell Cell([[3.0, 0.0, 0.0], [0.0, 4.0, 0.0], [0.0, 1.7101007166283442, 4.698463103929542]])
Original BandPath(path='GYHCEM1AXH1,MDZ,YD', cell=[3x3], special_points={ACDD1EGHH1H2MM1M2XYY1Z}, kpts=[36x3])
path {'path': 'GYHCEM1AXH1,MDZ,YD'}
Produced by kpts2kpts BandPath(path='GYHCEM1AXH1,MDZ,YD', cell=[3x3], special_points={ACDD1EGHH1H2MM1M2XYY1Z}, kpts=[36x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

MCLC(a=3, b=4, c=5, alpha=80)
cell Cell([[1.5, 2.0, 0.0], [-1.5, 2.0, 0.0], [0.0, 0.8682408883346521, 4.92403876506104]])
Original BandPath(path='GYFLI,I1ZF1,YX1,XGN,MG', cell=[3x3], special_points={FF1F2F3GII1LMNN1XX1X2YY1Z}, kpts=[53x3])
path {'path': 'GYFLI,I1ZF1,YX1,XGN,MG'}
Produced by kpts2kpts BandPath(path='GYFLI,I1ZF1,YX1,XGN,MG', cell=[3x3], special_points={FF1F2F3GII1LMNN1XX1X2YY1Z}, kpts=[53x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

MCLC(a=5.4, b=4, c=10, alpha=80)
cell Cell([[2.7, 2.0, 0.0], [-2.7, 2.0, 0.0], [0.0, 1.7364817766693041, 9.84807753012208]])
Original BandPath(path='GYFHZIF1,H1Y1XGN,MG', cell=[3x3], special_points={FF1F2GHH1H2IMNN1XYY1Y2Y3Z}, kpts=[40x3])
path {'path': 'GYFHZIF1,H1Y1XGN,MG'}
Produced by kpts2kpts BandPath(path='GYFHZIF1,H1Y1XGN,MG', cell=[3x3], special_points={FF1F2GHH1H2IMNN1XYY1Y2Y3Z}, kpts=[40x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

MCLC(a=4, b=4, c=4.4, alpha=70)
cell Cell([[2.0, 2.0, 0.0], [-2.0, 2.0, 0.0], [0.0, 1.504888630632943, 4.134647531457997]])
Original BandPath(path='GYFLI,I1ZHF1,H1Y1XGN,MG', cell=[3x3], special_points={FF1F2GHH1H2II1LMNN1XYY1Y2Y3Z}, kpts=[49x3])
path {'path': 'GYFLI,I1ZHF1,H1Y1XGN,MG'}
Produced by kpts2kpts BandPath(path='GYFLI,I1ZHF1,H1Y1XGN,MG', cell=[3x3], special_points={FF1F2GHH1H2II1LMNN1XYY1Y2Y3Z}, kpts=[49x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

TRI(a=4.69894, b=4.24887, c=3.81674, alpha=52.8089, beta=59.8129, gamma=64.9431)
cell Cell([[4.6989399557768285, 0.0, 0.0], [1.7994760209596912, 3.849001794597506, 0.0], [1.9191555212352258, 1.6495721976846434, 2.857142857142857]])
Original BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[35x3])
path {'path': 'XGY,LGZ,NGM,RG'}
Produced by kpts2kpts BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[35x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

TRI(a=4.62104, b=4.35346, c=4.04896, alpha=125.431, beta=112.904, gamma=91.7817)
cell Cell([[4.6210361858277755, 0.0, 0.0], [-0.13535438518689638, 4.3513576311075965, 0.0], [-1.5757951048971695, -2.397427517649375, 2.8571428571428563]])
Original BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[33x3])
path {'path': 'XGY,LGZ,NGM,RG'}
Produced by kpts2kpts BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[33x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

TRI(a=4.35393, b=3.93691, c=3.59106, alpha=57.8533, beta=66.7383, gamma=77.8695)
cell Cell([[4.353927019882799, 0.0, 0.0], [0.8272948574276768, 3.849001794597503, 0.0], [1.4182197555903027, 1.649572197684645, 2.8571428571428585]])
Original BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[36x3])
path {'path': 'XGY,LGZ,NGM,RG'}
Produced by kpts2kpts BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[36x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

TRI(a=5.27974, b=4.97402, c=4.92301, alpha=137.921, beta=130.746, gamma=61.0233)
cell Cell([[5.279738173763637, 0.0, 0.0], [2.409687406799274, 4.351357631107596, 0.0], [-3.2132640977512383, -2.397427517649372, 2.857142857142858]])
Original BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[33x3])
path {'path': 'XGY,LGZ,NGM,RG'}
Produced by kpts2kpts BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[33x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

OBL(a=3, b=3.35, alpha=77.85)
cell Cell([[3.0, 0.0, 0.0], [0.7050803954013746, 3.2749597915120487, 0.0], [0.0, 0.0, 1.0]])
Original BandPath(path='GYHCH1XG', cell=[3x3], special_points={CGHH1XY}, kpts=[21x3])
path {'path': 'GYHCH1XG'}
Produced by kpts2kpts BandPath(path='GYHCH1XG', cell=[3x3], special_points={CGHH1XY}, kpts=[21x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

RECT(a=3, b=4)
cell Cell([3.0, 4.0, 1.0])
Original BandPath(path='GXSYGS', cell=[3x3], special_points={GSXY}, kpts=[25x3])
path {'path': 'GXSYGS'}
Produced by kpts2kpts BandPath(path='GXSYGS', cell=[3x3], special_points={GSXY}, kpts=[25x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

CRECT(a=3, alpha=55)
cell Cell([[3.0, 0.0, 0.0], [1.7207293090531386, 2.4574561328669753, 0.0], [0.0, 0.0, 1.0]])
Original BandPath(path='GXA1YG', cell=[3x3], special_points={A1GXY}, kpts=[24x3])
path {'path': 'GXA1YG'}
Produced by kpts2kpts BandPath(path='GXA1YG', cell=[3x3], special_points={A1GXY}, kpts=[24x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

HEX2D(a=3)
cell Cell([[3.0, 0.0, 0.0], [-1.5, 2.598076211353316, 0.0], [0.0, -0.0, 1.0]])
Original BandPath(path='GMKG', cell=[3x3], special_points={GKM}, kpts=[17x3])
path {'path': 'GMKG'}
Produced by kpts2kpts BandPath(path='GMKG', cell=[3x3], special_points={GKM}, kpts=[17x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

SQR(a=3)
cell Cell([3.0, 3.0, 1.0])
Original BandPath(path='MGXM', cell=[3x3], special_points={GMX}, kpts=[18x3])
path {'path': 'MGXM'}
Produced by kpts2kpts BandPath(path='MGXM', cell=[3x3], special_points={GMX}, kpts=[18x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

LINE(a=3)
cell Cell([3.0, 1.0, 1.0])
Original BandPath(path='GX', cell=[3x3], special_points={GX}, kpts=[5x3])
path {'path': 'GX'}
Produced by kpts2kpts BandPath(path='GX', cell=[3x3], special_points={GX}, kpts=[5x3])
.Global seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045

test_lattice_lindep.py .Global seed for "test/test_lattice_lindep.py:test_miller_lindep" was: 11772
Cell([[3.61, 0.0, 0.0], [-1.805, 1.805, 0.0], [0.0, 0.0, 3.61]])
.Global seed for "test/test_lattice_lindep.py:test_fcc_ok" was: 11884
.Global seed for "test/test_lattice_lindep.py:test_fcc_directions_linearly_dependent" was: 758
.Global seed for "test/test_lattice_lindep.py:test_fcc_directions_linearly_dependent" was: 758
Cell([[2.5526554800834367, 0.0, 0.0], [2.5526554800834362, 2.5526554800834367, 0.0], [0.0, 0.0, 3.61]])
.Global seed for "test/test_lattice_lindep.py:test_fcc_directions_ok" was: 915
.Global seed for "test/test_lattice_lindep.py:test_hcp_miller_lienarly_dependent" was: 6935
.Global seed for "test/test_lattice_lindep.py:test_hcp_cell_linearly_dependent" was: 5923
Cell([[5.559883092296095, 0.0, 0.0], [2.7799415461480477, 4.815, 0.0], [0.0, 0.0, 5.21304]])
.Global seed for "test/test_lattice_lindep.py:test_hcp" was: 95

test_linesearch_maxstep.py .Global seed for "test/test_linesearch_maxstep.py:test_linesearch" was: 5832
.Global seed for "test/test_linesearch_maxstep.py:test_linesearch" was: 5832
.Global seed for "test/test_linesearch_maxstep.py:test_linesearch" was: 5832
.Global seed for "test/test_linesearch_maxstep.py:test_linesearch" was: 5832

test_lock.py .Global seed for "test/test_lock.py:test_cannot_acquire_lock_twice" was: 4919
.Global seed for "test/test_lock.py:test_lock_close_file_descriptor" was: 9670

test_loggingcalc.py Label         # Force   # Energy Walltime/s
-------------------------------------------
(none)              4          4     0.00
.Global seed for "test/test_loggingcalc.py:test_loggingcalc" was: 8266

test_makebandpath.py BandPath(path='GXL', cell=[3x3], special_points={GKLUWX}, kpts=[14x3])
BandPath(path='GL', cell=[3x3], special_points={GKLUWX}, kpts=[50x3])
BandPath(path='GKpt0Kpt1', cell=[3x3], special_points={GKpt0Kpt1}, kpts=[50x3])
.Global seed for "test/test_makebandpath.py:test_makebandpath" was: 5888

test_matplotlib_plot.py .Global seed for "test/test_matplotlib_plot.py:test_matplotlib_plot_info_occupancies" was: 8234
.Global seed for "test/test_matplotlib_plot.py:test_matplotlib_plot" was: 5404
.Global seed for "test/test_matplotlib_plot.py:test_plot_manager_error" was: 3193
.Global seed for "test/test_matplotlib_plot.py:test_plot_manager_no_file" was: 2381
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_plot_manager_axis_file0
.Global seed for "test/test_matplotlib_plot.py:test_plot_manager_axis_file" was: 7052

test_minimum_image_convention.py .Global seed for "test/test_minimum_image_convention.py:test_minimum_image_convention" was: 8263
.Global seed for "test/test_minimum_image_convention.py:test_minimum_image_convention" was: 8263
.Global seed for "test/test_minimum_image_convention.py:test_numpy_array" was: 7444

test_mixingcalc.py .Global seed for "test/test_mixingcalc.py:test_mixingcalc" was: 2528

test_mpi.py .Global seed for "test/test_mpi.py:test_mpi" was: 4910
s
test_noncollinear.py .Global seed for "test/test_noncollinear.py:test_noncollinear" was: 8972

test_nwchem_writer.py .Global seed for "test/test_nwchem_writer.py:test_echo" was: 11437
.Global seed for "test/test_nwchem_writer.py:test_params" was: 6798

test_parsemath.py .Global seed for "test/test_parsemath.py:test_parsemath" was: 5621

test_pathlib_support.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pathlib_support0
.Global seed for "test/test_pathlib_support.py:test_pathlib_support" was: 1353

test_phasediagram.py Species: Cu, Au
References: 5
0    Cu             0.000
1    Au             0.000
2    CuAu2         -0.200
3    CuAu          -0.500
4    Cu2Au         -0.700
Simplices: 3
reference    coefficient      energy
------------------------------------
Cu2Au                  1      -0.700
Cu                     1       0.000
------------------------------------
Total energy:                 -0.700
------------------------------------
.Global seed for "test/test_phasediagram.py:test_phasediagram" was: 1018
Species: Cu
References: 2
0    Cu             0.000
1    Cu             0.100
Simplices: 1
reference    coefficient      energy
------------------------------------
Cu                     1       0.000
------------------------------------
Total energy:                  0.000
------------------------------------
.Global seed for "test/test_phasediagram.py:test_phasediagram_1d" was: 1961
Species: Cu, I, Mg
References: 45
0    Cu2I3         -0.586
1    Cu2I5         -0.203
2    Cu3I4         -0.512
3    Cu3I5         -0.706
4    Cu9I11        -2.045
5    CuI           -0.167
6    CuI2          -0.387
7    CuI2          -0.156
8    CuI2           0.282
9    Mg7I12       -18.079
10   MgI2          -3.241
11   MgI2          -3.126
12   MgI2          -2.764
13   Cu4I6         -1.168
14   Cu4I6         -0.529
15   Cu2I2         -0.664
16   Cu2I2         -0.631
17   Cu2I4         -0.556
18   Cu2I4         -0.331
19   Cu2I6          0.373
20   Cu2I6          0.836
21   Cu2Mg2I6      -6.949
22   Mg2I4         -5.955
23   Cu3I3         -0.896
24   Cu3I3         -0.595
25   Cu3I3         -0.584
26   Cu3I3         -0.557
27   Cu3I6         -0.967
28   Mg9I12       -17.371
29   Cu4I4         -1.079
30   Cu4I4         -0.681
31   Cu4I8         -0.949
32   Cu4I8         -0.931
33   Mg8I12       -16.992
34   Cu5I5         -1.421
35   Cu6I6         -1.627
36   Cu6I6         -1.220
37   Cu6I6         -1.182
38   Cu             0.000
39   Cu4Mg8        -1.503
40   CuI           -0.317
41   I4             0.000
42   Mg12           0.000
43   Cu4Mg2        -0.934
44   MgI2          -3.245
Simplices: 7
reference    coefficient      energy
------------------------------------
MgI2                   6      -3.245
Mg12                 1/6       0.000
------------------------------------
Total energy:                -19.470
------------------------------------
Species: Mg, I
References: 10
0    Mg7I12       -18.079
1    MgI2          -3.241
2    MgI2          -3.126
3    MgI2          -2.764
4    Mg2I4         -5.955
5    Mg9I12       -17.371
6    Mg8I12       -16.992
7    I4             0.000
8    Mg12           0.000
9    MgI2          -3.245
Simplices: 2
reference    coefficient      energy
------------------------------------
MgI2                   6      -3.245
Mg12                 1/6       0.000
------------------------------------
Total energy:                -19.470
------------------------------------
.Global seed for "test/test_phasediagram.py:test_phasediagram_3d" was: 4862

test_phonons.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_set_atoms_indices0
.Global seed for "test/test_phonons.py:test_set_atoms_indices" was: 1166
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_set_atoms_symbol0
.Global seed for "test/test_phonons.py:test_set_atoms_symbol" was: 6552
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_check_eq_forces0
.Global seed for "test/test_phonons.py:test_check_eq_forces" was: 3293
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_check_consistent_format0
.Global seed for "test/test_phonons.py:test_check_consistent_format" was: 8073
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_get_band_structure_with_m0
.Global seed for "test/test_phonons.py:test_get_band_structure_with_modes" was: 7142

test_potential_energies.py .Global seed for "test/test_potential_energies.py:test_potential_energies" was: 8945

test_pourbaix.py [('HZnO2-(aq)', -4.801273583873681), ('ZnO2--(aq)', -4.045437252886342), ('ZnOH+(aq)', -3.5207315956891634), ('ZnO(aq)', -2.923607884977995), ('H2O(aq)', -2.45831105012463), ('Zn++(aq)', -1.5264164573008816), ('H+(aq)', 0.0)]
0    HZnO2-(aq)    -5.158
1    ZnO2--(aq)    -4.403
2    ZnOH+(aq)     -3.878
3    ZnO(aq)       -3.281
4    H2O(aq)       -2.458
5    Zn++(aq)      -1.884
6    H+(aq)        -0.417
7    Zn             0.000
8    ZnO           -3.323
9    ZnO2(aq)      -3.278
10   e-             1.000
reference    coefficient      energy
------------------------------------
H2O(aq)                1      -2.458
H+(aq)                -2      -0.417
Zn                     1       0.000
e-                    -2       1.000
------------------------------------
Total energy:                 -3.625
------------------------------------
[[0 0 0 0 0 0 0 0 0 0 0]
 [2 2 4 4 5 3 3 6 6 6 6]
 [1 1 1 1 1 1 1 1 1 1 1]] ['Zn', 'ZnO2(aq)', 'Zn++(aq)', 'HZnO2-(aq)', 'ZnOH+(aq)', 'ZnO', 'ZnO2--(aq)'] [(-2.0, 11.0, 'Zn'), (2.0, 11.0, 'ZnO$_{2}$(aq)'), (0.0, 6.5, 'Zn$^{++}$(aq)'), (0.0, 11.5, 'HZnO$_{2}$$^{-}$(aq)'), (0.0, 8.5, 'ZnOH$^{+}$(aq)'), (0.0, 10.0, 'ZnO'), (0.0, 14.5, 'ZnO$_{2}$$^{--}$(aq)')]
.Global seed for "test/test_pourbaix.py:test_pourbaix" was: 3050

test_properties.py .Global seed for "test/test_properties.py:test_properties" was: 125

test_ptable.py .Global seed for "test/test_ptable.py:test_pourbaix" was: 7390

test_pubchem.py .Global seed for "test/test_pubchem.py:test_pubchem" was: 8276

test_quaternions.py .Global seed for "test/test_quaternions.py:test_quaternions_rotations" was: 796
.Global seed for "test/test_quaternions.py:test_quaternions_gimbal" was: 7620
.Global seed for "test/test_quaternions.py:test_quaternions_overload" was: 10082
.Global seed for "test/test_quaternions.py:test_quaternions_euler" was: 11397
.Global seed for "test/test_quaternions.py:test_quaternions_euler" was: 11397
.Global seed for "test/test_quaternions.py:test_quaternions_rotm" was: 7606
.Global seed for "test/test_quaternions.py:test_quaternions_axang" was: 5259
.Global seed for "test/test_quaternions.py:test_quaternions_special_cases" was: 4229
.Global seed for "test/test_quaternions.py:test_quaternions_special_cases" was: 4229

test_root_surf.py .Global seed for "test/test_root_surf.py:test_root_surf" was: 9892

test_s22.py <s22-collection, 22 systems: Ammonia_dimer, Water_dimer, ...>
Atoms(symbols='NH3NH3', pbc=False)
Atoms(symbols='OH2OH2', pbc=False)
Atoms(symbols='CO2H2CO2H2', pbc=False)
Atoms(symbols='CONH3CONH3', pbc=False)
Atoms(symbols='OCNC3NOH4OCNC3NOH4', pbc=False)
Atoms(symbols='ONC5H5NC5H4NH2', pbc=False)
Atoms(symbols='NC3NCNCN2H5NC3NC2O2H6', pbc=False)
Atoms(symbols='CH4CH4', pbc=False)
Atoms(symbols='C2H4C2H4', pbc=False)
Atoms(symbols='C6H6CH4', pbc=False)
Atoms(symbols='C6H6C6H6', pbc=False)
Atoms(symbols='C2NC2NH4C2NC2NH4', pbc=False)
Atoms(symbols='NCHCHCONHCOHNCHCHCONHCOH', pbc=False)
Atoms(symbols='C6H7C2HC2HCNC2HCH3', pbc=False)
Atoms(symbols='NCHNC2NH2NCHNCHNCHC2H3CONHCOH', pbc=False)
Atoms(symbols='C2H4C2H2', pbc=False)
Atoms(symbols='C6H6OH2', pbc=False)
Atoms(symbols='C6H6NH3', pbc=False)
Atoms(symbols='C6H6NCH', pbc=False)
Atoms(symbols='C6H6C6H6', pbc=False)
Atoms(symbols='C6H7NC8H6', pbc=False)
Atoms(symbols='COHC5H5OCHC5H5', pbc=False)
.Global seed for "test/test_s22.py:test_s22" was: 9589

test_singlepoint_dft_calc.py .Global seed for "test/test_singlepoint_dft_calc.py:test_singlepoint_dft_calc" was: 2234

test_singlepointcalc.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_singlepointcalc0
.Global seed for "test/test_singlepointcalc.py:test_singlepointcalc" was: 4407

test_springcalc.py              eps         max(abs(df))
  0.100000000000       0.000000000000
  0.010000000000       0.000000000000
  0.001000000000       0.000000000000
  0.000100000000       0.000000000000
  0.000010000000       0.000000000000
  0.000001000000       0.000000000000
  0.000000100000       0.000000000000
  0.000000010000       0.000000000000
.Global seed for "test/test_springcalc.py:test_springcalc" was: 7040

test_stm.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_stm0
.Global seed for "test/test_stm.py:test_stm" was: 9696

test_stress.py .Global seed for "test/test_stress.py:test_stress_voigt_shape" was: 797
Analytical stress:
 [-0.77895227  1.2288922  -1.22307094 -1.37861825  5.74494294 -0.2421896 ]
Numerical stress:
 [-0.77895229  1.22889219 -1.22307096 -1.37861826  5.74494297 -0.2421896 ]
Percent error in stress:
 [ 1.76859938e-06 -9.54663077e-07  1.38792947e-06  5.22451731e-07
  5.10642296e-07  3.71699784e-08]
      Step     Time          Energy          fmax
BFGS:    0 18:27:26      -45.377826        5.731553
BFGS:    1 18:27:26      -46.073452        6.754282
BFGS:    2 18:27:26      -46.960385        8.720566
BFGS:    3 18:27:26      -46.603274       15.542061
BFGS:    4 18:27:26      -47.077003       11.004835
BFGS:    5 18:27:26      -44.157756       26.121105
BFGS:    6 18:27:26      -46.921895       13.319771
BFGS:    7 18:27:26      -29.002125      176.482102
BFGS:    8 18:27:26      -45.018653       33.574424
BFGS:    9 18:27:26      -28.246845      186.385905
BFGS:   10 18:27:26      -34.780827      109.103912
BFGS:   11 18:27:26      -39.216154       57.689635
BFGS:   12 18:27:26      -30.621670      177.739568
BFGS:   13 18:27:26       -2.786662      342.884153
BFGS:   14 18:27:26      -34.531319       57.214155
BFGS:   15 18:27:26      -38.188546       48.438243
BFGS:   16 18:27:26      -38.121936       27.051383
BFGS:   17 18:27:26      -40.400927       17.990790
BFGS:   18 18:27:26      -41.115306       18.987431
BFGS:   19 18:27:26      -42.419418       15.363545
BFGS:   20 18:27:26      -44.133243       29.797096
BFGS:   21 18:27:26      -45.416943       18.914226
BFGS:   22 18:27:26      -45.736654       18.970867
BFGS:   23 18:27:26      -46.143747       11.036410
BFGS:   24 18:27:26      -46.534944       16.924849
BFGS:   25 18:27:26      -47.102529        8.073166
BFGS:   26 18:27:26      -47.326454        5.444926
BFGS:   27 18:27:26      -47.459799        4.642643
BFGS:   28 18:27:26      -47.537479        3.468568
BFGS:   29 18:27:26      -47.575524        1.559234
BFGS:   30 18:27:26      -47.602932        1.412825
BFGS:   31 18:27:26      -47.613430        1.471525
BFGS:   32 18:27:26      -47.619902        0.986188
BFGS:   33 18:27:26      -47.624158        0.547958
BFGS:   34 18:27:26      -47.625399        0.408336
BFGS:   35 18:27:26      -47.626326        0.329045
BFGS:   36 18:27:26      -47.627144        0.178104
BFGS:   37 18:27:26      -47.627287        0.113802
BFGS:   38 18:27:26      -47.627370        0.087408
BFGS:   39 18:27:26      -47.627395        0.060123
BFGS:   40 18:27:26      -47.627408        0.025956
BFGS:   41 18:27:26      -47.627413        0.020895
BFGS:   42 18:27:26      -47.627418        0.024875
BFGS:   43 18:27:26      -47.627422        0.019507
BFGS:   44 18:27:26      -47.627423        0.008640
BFGS:   45 18:27:26      -47.627423        0.002924
BFGS:   46 18:27:26      -47.627423        0.001957
BFGS:   47 18:27:26      -47.627423        0.001235
BFGS:   48 18:27:27      -47.627423        0.000526
Minimized Niggli tensor:
 [[ 1.19564513  1.19564424  1.79346742]
 [ 1.19564424  4.78257703  3.58693722]
 [ 1.79346742  3.58693722 10.76080804]]
Theoretical Niggli tensor:
 [[ 1.18847708  1.18847708  1.78271562]
 [ 1.18847708  4.75390831  3.56543124]
 [ 1.78271562  3.56543124 10.69629371]]
Percent error in Niggli tensor:
 [[0.60312938 0.60305441 0.60311346]
 [0.60305441 0.60305574 0.6031805 ]
 [0.60311346 0.6031805  0.60314661]]
.Global seed for "test/test_stress.py:test_stress" was: 3493

test_structure_comparator.py .Global seed for "test/test_structure_comparator.py:test_compare" was: 1780
.Global seed for "test/test_structure_comparator.py:test_fcc_bcc" was: 195
.Global seed for "test/test_structure_comparator.py:test_single_impurity" was: 7742
.Global seed for "test/test_structure_comparator.py:test_translations" was: 11055
.Global seed for "test/test_structure_comparator.py:test_rot_60_deg" was: 10532
.Global seed for "test/test_structure_comparator.py:test_rot_120_deg" was: 8699
.Global seed for "test/test_structure_comparator.py:test_rotations_to_standard" was: 27
.Global seed for "test/test_structure_comparator.py:test_point_inversion" was: 6215
.Global seed for "test/test_structure_comparator.py:test_mirror_plane" was: 7643
.Global seed for "test/test_structure_comparator.py:test_hcp_symmetry_ops" was: 165
.Global seed for "test/test_structure_comparator.py:test_fcc_symmetry_ops" was: 11711
.Global seed for "test/test_structure_comparator.py:test_bcc_symmetry_ops" was: 2358
.Global seed for "test/test_structure_comparator.py:test_bcc_translation" was: 819
.Global seed for "test/test_structure_comparator.py:test_one_atom_out_of_pos" was: 471
.Global seed for "test/test_structure_comparator.py:test_reduce_to_primitive" was: 3537
.Global seed for "test/test_structure_comparator.py:test_order_of_candidates" was: 10518
.Global seed for "test/test_structure_comparator.py:test_original_paper_structures" was: 12006
.Global seed for "test/test_structure_comparator.py:test_symmetrical_one_element_out" was: 3808
.Global seed for "test/test_structure_comparator.py:test_one_vs_many" was: 5457
.Global seed for "test/test_structure_comparator.py:test_supercell_w_periodic_atom_removed" was: 12145

test_symbols.py C2OH6
Atoms(symbols='XCPu2H2Au2H', pbc=False)
[ 0  6 94 94  1  1 79 79  1]
.Global seed for "test/test_symbols.py:test_symbols_indexing" was: 9224
.Global seed for "test/test_symbols.py:test_symbols_vs_get_chemical_symbols" was: 8797
.Global seed for "test/test_symbols.py:test_str_roundtrip" was: 8118
Au2Ag
.Global seed for "test/test_symbols.py:test_manipulation_with_string" was: 758
.Global seed for "test/test_symbols.py:test_search" was: 4298
.Global seed for "test/test_symbols.py:test_search_two" was: 714
.Global seed for "test/test_symbols.py:test_species" was: 4355
.Global seed for "test/test_symbols.py:test_indices" was: 4276
.Global seed for "test/test_symbols.py:test_symbols_to_symbols" was: 5203
.Global seed for "test/test_symbols.py:test_symbols_to_atoms" was: 4257
.Global seed for "test/test_symbols.py:test_symbols_to_formula" was: 1307

test_thermochemistry.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ideal_gas_thermo_n20
                Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 18:27:28        0.440344       3.2518
BFGSLineSearch:    1[  2] 18:27:28        0.265703       0.4702
BFGSLineSearch:    2[  3] 18:27:28        0.262932       0.1103
BFGSLineSearch:    3[  4] 18:27:28        0.262777       0.0027
Enthalpy components at T = 1000.00 K:
===============================
E_pot                  0.263 eV
E_ZPE                  0.076 eV
Cv_trans (0->T)        0.129 eV
Cv_rot (0->T)          0.086 eV
Cv_vib (0->T)          0.031 eV
(C_v -> C_p)           0.086 eV
-------------------------------
H                      0.672 eV
===============================
Entropy components at T = 1000.00 K and P = 100000000.0 Pa:
=================================================
                           S               T*S
S_trans (1 bar)    0.0018197 eV/K        1.820 eV
S_rot              0.0005143 eV/K        0.514 eV
S_elec             0.0000000 eV/K        0.000 eV
S_vib              0.0000474 eV/K        0.047 eV
S (1 bar -> P)    -0.0005953 eV/K       -0.595 eV
-------------------------------------------------
S                  0.0017861 eV/K        1.786 eV
=================================================
Enthalpy components at T = 1000.00 K:
===============================
E_pot                  0.263 eV
E_ZPE                  0.076 eV
Cv_trans (0->T)        0.129 eV
Cv_rot (0->T)          0.086 eV
Cv_vib (0->T)          0.031 eV
(C_v -> C_p)           0.086 eV
-------------------------------
H                      0.672 eV
===============================

Entropy components at T = 1000.00 K and P = 100000000.0 Pa:
=================================================
                           S               T*S
S_trans (1 bar)    0.0018197 eV/K        1.820 eV
S_rot              0.0005143 eV/K        0.514 eV
S_elec             0.0000000 eV/K        0.000 eV
S_vib              0.0000474 eV/K        0.047 eV
S (1 bar -> P)    -0.0005953 eV/K       -0.595 eV
-------------------------------------------------
S                  0.0017861 eV/K        1.786 eV
=================================================

Free energy components at T = 1000.00 K and P = 100000000.0 Pa:
=======================
    H          0.672 eV
 -T*S         -1.786 eV
-----------------------
    G         -1.114 eV
=======================
Enthalpy components at T = 1000.00 K:
===============================
E_pot                  0.263 eV
E_ZPE                  0.076 eV
Cv_trans (0->T)        0.129 eV
Cv_rot (0->T)          0.086 eV
Cv_vib (0->T)          0.031 eV
(C_v -> C_p)           0.086 eV
-------------------------------
H                      0.672 eV
===============================
Entropy components at T = 1000.00 K and P = 100000000.0 Pa:
=================================================
                           S               T*S
S_trans (1 bar)    0.0018197 eV/K        1.820 eV
S_rot              0.0005143 eV/K        0.514 eV
S_elec             0.0000000 eV/K        0.000 eV
S_vib              0.0000474 eV/K        0.047 eV
S (1 bar -> P)    -0.0005953 eV/K       -0.595 eV
-------------------------------------------------
S                  0.0017861 eV/K        1.786 eV
=================================================
.Global seed for "test/test_thermochemistry.py:test_ideal_gas_thermo_n2" was: 5746
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ideal_gas_thermo_ch30
Enthalpy components at T = 1000.00 K:
===============================
E_pot                  9.000 eV
E_ZPE                  1.185 eV
Cv_trans (0->T)        0.129 eV
Cv_rot (0->T)          0.129 eV
Cv_vib (0->T)          0.081 eV
(C_v -> C_p)           0.086 eV
-------------------------------
H                     10.611 eV
===============================
Entropy components at T = 1000.00 K and P = 100000000.0 Pa:
=================================================
                           S               T*S
S_trans (1 bar)    0.0017393 eV/K        1.739 eV
S_rot              0.0006077 eV/K        0.608 eV
S_elec             0.0000597 eV/K        0.060 eV
S_vib              0.0001195 eV/K        0.120 eV
S (1 bar -> P)    -0.0005953 eV/K       -0.595 eV
-------------------------------------------------
S                  0.0019310 eV/K        1.931 eV
=================================================
Enthalpy components at T = 1000.00 K:
===============================
E_pot                  9.000 eV
E_ZPE                  1.185 eV
Cv_trans (0->T)        0.129 eV
Cv_rot (0->T)          0.129 eV
Cv_vib (0->T)          0.081 eV
(C_v -> C_p)           0.086 eV
-------------------------------
H                     10.611 eV
===============================

Entropy components at T = 1000.00 K and P = 100000000.0 Pa:
=================================================
                           S               T*S
S_trans (1 bar)    0.0017393 eV/K        1.739 eV
S_rot              0.0006077 eV/K        0.608 eV
S_elec             0.0000597 eV/K        0.060 eV
S_vib              0.0001195 eV/K        0.120 eV
S (1 bar -> P)    -0.0005953 eV/K       -0.595 eV
-------------------------------------------------
S                  0.0019310 eV/K        1.931 eV
=================================================

Free energy components at T = 1000.00 K and P = 100000000.0 Pa:
=======================
    H         10.611 eV
 -T*S         -1.931 eV
-----------------------
    G          8.680 eV
=======================
Enthalpy components at T = 1000.00 K:
===============================
E_pot                  9.000 eV
E_ZPE                  1.185 eV
Cv_trans (0->T)        0.129 eV
Cv_rot (0->T)          0.129 eV
Cv_vib (0->T)          0.081 eV
(C_v -> C_p)           0.086 eV
-------------------------------
H                     10.611 eV
===============================
Entropy components at T = 1000.00 K and P = 100000000.0 Pa:
=================================================
                           S               T*S
S_trans (1 bar)    0.0017393 eV/K        1.739 eV
S_rot              0.0006077 eV/K        0.608 eV
S_elec             0.0000597 eV/K        0.060 eV
S_vib              0.0001195 eV/K        0.120 eV
S (1 bar -> P)    -0.0005953 eV/K       -0.595 eV
-------------------------------------------------
S                  0.0019310 eV/K        1.931 eV
=================================================
.Global seed for "test/test_thermochemistry.py:test_ideal_gas_thermo_ch3" was: 4010
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ideal_gas_thermo_ch3_v20
Enthalpy components at T = 1000.00 K:
===============================
E_pot                  9.000 eV
E_ZPE                  1.185 eV
Cv_trans (0->T)        0.129 eV
Cv_rot (0->T)          0.129 eV
Cv_vib (0->T)          0.081 eV
(C_v -> C_p)           0.086 eV
-------------------------------
H                     10.611 eV
===============================
Entropy components at T = 1000.00 K and P = 100000000.0 Pa:
=================================================
                           S               T*S
S_trans (1 bar)    0.0017393 eV/K        1.739 eV
S_rot              0.0006077 eV/K        0.608 eV
S_elec             0.0000597 eV/K        0.060 eV
S_vib              0.0001195 eV/K        0.120 eV
S (1 bar -> P)    -0.0005953 eV/K       -0.595 eV
-------------------------------------------------
S                  0.0019310 eV/K        1.931 eV
=================================================
Enthalpy components at T = 1000.00 K:
===============================
E_pot                  9.000 eV
E_ZPE                  1.185 eV
Cv_trans (0->T)        0.129 eV
Cv_rot (0->T)          0.129 eV
Cv_vib (0->T)          0.081 eV
(C_v -> C_p)           0.086 eV
-------------------------------
H                     10.611 eV
===============================

Entropy components at T = 1000.00 K and P = 100000000.0 Pa:
=================================================
                           S               T*S
S_trans (1 bar)    0.0017393 eV/K        1.739 eV
S_rot              0.0006077 eV/K        0.608 eV
S_elec             0.0000597 eV/K        0.060 eV
S_vib              0.0001195 eV/K        0.120 eV
S (1 bar -> P)    -0.0005953 eV/K       -0.595 eV
-------------------------------------------------
S                  0.0019310 eV/K        1.931 eV
=================================================

Free energy components at T = 1000.00 K and P = 100000000.0 Pa:
=======================
    H         10.611 eV
 -T*S         -1.931 eV
-----------------------
    G          8.680 eV
=======================
Enthalpy components at T = 1000.00 K:
===============================
E_pot                  9.000 eV
E_ZPE                  1.185 eV
Cv_trans (0->T)        0.129 eV
Cv_rot (0->T)          0.129 eV
Cv_vib (0->T)          0.081 eV
(C_v -> C_p)           0.086 eV
-------------------------------
H                     10.611 eV
===============================
Entropy components at T = 1000.00 K and P = 100000000.0 Pa:
=================================================
                           S               T*S
S_trans (1 bar)    0.0017393 eV/K        1.739 eV
S_rot              0.0006077 eV/K        0.608 eV
S_elec             0.0000597 eV/K        0.060 eV
S_vib              0.0001195 eV/K        0.120 eV
S (1 bar -> P)    -0.0005953 eV/K       -0.595 eV
-------------------------------------------------
S                  0.0019310 eV/K        1.931 eV
=================================================
.Global seed for "test/test_thermochemistry.py:test_ideal_gas_thermo_ch3_v2" was: 6638
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ideal_gas_thermo_ch3_v30
.Global seed for "test/test_thermochemistry.py:test_ideal_gas_thermo_ch3_v3" was: 10450
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ideal_gas_thermo_ch3_v40
.Global seed for "test/test_thermochemistry.py:test_ideal_gas_thermo_ch3_v4" was: 1917
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_harmonic_thermo0
Internal energy components at T = 298.15 K:
===============================
E_pot                  4.121 eV
E_ZPE                  0.018 eV
Cv_harm (0->T)         0.060 eV
-------------------------------
U                      4.199 eV
===============================

Entropy components at T = 298.15 K:
=================================================
                           S               T*S
S_harm             0.0004644 eV/K        0.138 eV
-------------------------------------------------
S                  0.0004644 eV/K        0.138 eV
=================================================

Free energy components at T = 298.15 K:
=======================
    U          4.199 eV
 -T*S         -0.138 eV
-----------------------
    F          4.061 eV
=======================
.Global seed for "test/test_thermochemistry.py:test_harmonic_thermo" was: 807
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_harmonic_thermo_v20
Internal energy components at T = 298.15 K:
===============================
E_pot                  4.121 eV
E_ZPE                  0.018 eV
Cv_harm (0->T)         0.060 eV
-------------------------------
U                      4.199 eV
===============================

Entropy components at T = 298.15 K:
=================================================
                           S               T*S
S_harm             0.0004644 eV/K        0.138 eV
-------------------------------------------------
S                  0.0004644 eV/K        0.138 eV
=================================================

Free energy components at T = 298.15 K:
=======================
    U          4.199 eV
 -T*S         -0.138 eV
-----------------------
    F          4.061 eV
=======================
.Global seed for "test/test_thermochemistry.py:test_harmonic_thermo_v2" was: 6476
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_harmonic_thermo_v30
.Global seed for "test/test_thermochemistry.py:test_harmonic_thermo_v3" was: 10288
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_harmonic_thermo_v40
Internal energy components at T = 298.15 K:
===============================
E_pot                  4.121 eV
E_ZPE                  0.018 eV
Cv_harm (0->T)         0.060 eV
-------------------------------
U                      4.199 eV
===============================

Entropy components at T = 298.15 K:
=================================================
                           S               T*S
S_harm             0.0004644 eV/K        0.138 eV
-------------------------------------------------
S                  0.0004644 eV/K        0.138 eV
=================================================

Free energy components at T = 298.15 K:
=======================
    U          4.199 eV
 -T*S         -0.138 eV
-----------------------
    F          4.061 eV
=======================
.Global seed for "test/test_thermochemistry.py:test_harmonic_thermo_v4" was: 1755
sInternal energy components at T = 298.15 K:
===============================
E_pot                  0.000 eV
E_trans                0.049 eV
E_rot                  0.018 eV
E_vib                  0.076 eV
E_ZPE                  1.969 eV
-------------------------------
U                      2.112 eV
===============================

Entropy components at T = 298.15 K:
=================================================
                           S               T*S
S_trans            0.0005074 eV/K        0.151 eV
S_rot              0.0002287 eV/K        0.068 eV
S_vib              0.0005004 eV/K        0.149 eV
S_con              0.0005044 eV/K        0.150 eV
-------------------------------------------------
S                  0.0017409 eV/K        0.519 eV
=================================================

Free energy components at T = 298.15 K:
=======================
    U          2.112 eV
 -T*S         -0.519 eV
-----------------------
    F          1.593 eV
=======================
.Global seed for "test/test_thermochemistry.py:test_hindered_thermo1" was: 11767
Internal energy components at T = 298.15 K:
===============================
E_pot                  0.000 eV
E_trans                0.049 eV
E_rot                  0.018 eV
E_vib                  0.076 eV
E_ZPE                  1.969 eV
-------------------------------
U                      2.112 eV
===============================

Entropy components at T = 298.15 K:
=================================================
                           S               T*S
S_trans            0.0005074 eV/K        0.151 eV
S_rot              0.0002287 eV/K        0.068 eV
S_vib              0.0005004 eV/K        0.149 eV
S_con              0.0005044 eV/K        0.150 eV
-------------------------------------------------
S                  0.0017409 eV/K        0.519 eV
=================================================

Free energy components at T = 298.15 K:
=======================
    U          2.112 eV
 -T*S         -0.519 eV
-----------------------
    F          1.593 eV
=======================
.Global seed for "test/test_thermochemistry.py:test_hindered_thermo2" was: 3234
Internal energy components at T = 298.15 K:
===============================
E_pot                  0.000 eV
E_trans                0.049 eV
E_rot                  0.018 eV
E_vib                  0.076 eV
E_ZPE                  1.969 eV
-------------------------------
U                      2.112 eV
===============================

Entropy components at T = 298.15 K:
=================================================
                           S               T*S
S_trans            0.0005074 eV/K        0.151 eV
S_rot              0.0002287 eV/K        0.068 eV
S_vib              0.0005004 eV/K        0.149 eV
S_con              0.0005044 eV/K        0.150 eV
-------------------------------------------------
S                  0.0017409 eV/K        0.519 eV
=================================================

Free energy components at T = 298.15 K:
=======================
    U          2.112 eV
 -T*S         -0.519 eV
-----------------------
    F          1.593 eV
=======================
.Global seed for "test/test_thermochemistry.py:test_hindered_thermo3" was: 7046
.Global seed for "test/test_thermochemistry.py:test_hindered_thermo4" was: 10858
.Global seed for "test/test_thermochemistry.py:test_hindered_thermo5" was: 2325

test_things.py 27.211386024367243 0.5291772105638411 0.010364269574711572 0.04336410390059322 0.02585199101165164 0.09822694788464063 10.180505671156725
.Global seed for "test/test_things.py:test_things" was: 738

test_timing.py 0
1
2
3
4
Timing:     incl.     excl.
----------------------------------
run:        0.005     0.000   0.7% |
 yield:     0.005     0.005  99.1% |---------------------------------------|
Other:      0.000     0.000   0.2% |
----------------------------------
Total:                0.005 100.0%

.Global seed for "test/test_timing.py:test_timer" was: 1307

test_units.py .Global seed for "test/test_units.py:test_create_units" was: 5403
.Global seed for "test/test_units.py:test_bad_codata" was: 884

test_util.py .Global seed for "test/test_util.py:test_should_raise_future_warning_by_default" was: 11407
.Global seed for "test/test_util.py:test_should_satisfy_condition_and_raise_warning_by_default" was: 5091
.Global seed for "test/test_util.py:test_should_raise_warning_when_callback_returns_true" was: 11542
.Global seed for "test/test_util.py:test_should_not_raise_warning_when_callback_returns_false" was: 7791
.Global seed for "test/test_util.py:test_should_call_function_correctly" was: 6996
.Global seed for "test/test_util.py:test_should_call_callback" was: 2171
.Global seed for "test/test_util.py:test_should_call_function_with_modified_args" was: 11507
.Global seed for "test/test_util.py:test_should_call_function_with_modified_kwargs" was: 8128
.Global seed for "test/test_util.py:test_should_raise_warning_and_modify_args_if_callback_returns_true" was: 10250
.Global seed for "test/test_util.py:test_should_work_when_warning_passed_as_message" was: 4126
.Global seed for "test/test_util.py:test_deprecated_devnull" was: 1123
.Global seed for "test/test_util.py:test_tokenize_version_lessthan" was: 4306
.Global seed for "test/test_util.py:test_tokenize_version_lessthan" was: 4306
.Global seed for "test/test_util.py:test_tokenize_version_lessthan" was: 4306
.Global seed for "test/test_util.py:test_tokenize_version_lessthan" was: 4306
.Global seed for "test/test_util.py:test_tokenize_version_lessthan" was: 4306
.Global seed for "test/test_util.py:test_tokenize_version_lessthan" was: 4306
.Global seed for "test/test_util.py:test_tokenize_version_equal" was: 10724
.Global seed for "test/test_util.py:test_zero" was: 8503
.Global seed for "test/test_util.py:test_last" was: 10575
.Global seed for "test/test_util.py:test_last_two" was: 1667
.Global seed for "test/test_util.py:test_all" was: 7393
.Global seed for "test/test_util.py:test_even" was: 2035
.Global seed for "test/test_util.py:test_three_colons" was: 1342
.Global seed for "test/test_util.py:test_get_python_package_path_description" was: 2365

test_versionnumber.py .Global seed for "test/test_versionnumber.py:test_versionnumber" was: 4313

test_x3d.py sGlobal seed for "test/test_x3d.py:test_x3d" was: 7462

test_xrdebye.py .Global seed for "test/test_xrdebye.py:test_get" was: 4642
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_xrd0
.Global seed for "test/test_xrdebye.py:test_xrd" was: 2572
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_saxs_and_files0
.Global seed for "test/test_xrdebye.py:test_saxs_and_files" was: 2758

test_xwopen.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_xwopen0
.Global seed for "test/test_xwopen.py:test_xwopen" was: 9448
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_xwopen_locked0
.Global seed for "test/test_xwopen.py:test_xwopen_locked" was: 9000
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_xwopen_fail0
.Global seed for "test/test_xwopen.py:test_xwopen_fail" was: 2481

test_zmatrix.py .Global seed for "test/test_zmatrix.py:test_zmatrix_diborane" was: 164
.Global seed for "test/test_zmatrix.py:test_zmatrix_diborane" was: 164
.Global seed for "test/test_zmatrix.py:test_zmatrix_diborane" was: 164
.Global seed for "test/test_zmatrix.py:test_zmatrix_diborane" was: 164

transport/test_transport_calculator.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_transport_calculator0
Subspace eigenvalues: [-0.8  0.8]
Max deviation of T after the rotation: 3.885780586188048e-16
.Global seed for "test/transport/test_transport_calculator.py:test_transport_calculator" was: 5148

vibrations/test_albrecht.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_one_state0
.Global seed for "test/vibrations/test_albrecht.py:test_one_state" was: 2262
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_all_states0
.Global seed for "test/vibrations/test_albrecht.py:test_all_states" was: 8315
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_multiples0
.Global seed for "test/vibrations/test_albrecht.py:test_multiples" was: 10045
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_summary0
-------------------------------------
 excitation at 1 eV
 gamma 0.1 eV
 approximation: Albrecht B
 Mode    Frequency        Intensity
  #    meV     cm^-1      [A^4/amu]
-------------------------------------
  0    0.0       0.0         0.0
  1    0.0       0.0         0.0
  2    0.0       0.0         0.0
  3    5.2      42.0         0.4
  4    5.2      42.0         1.8
  5  545.8    4402.2        12.0
-------------------------------------
Zero-point energy: 0.278 eV
-------------------------------------
 excitation at 1 eV
 gamma 0.1 eV
 approximation: Albrecht A
 observation: {'geometry': '-Z(XX)Z'}
 Mode    Frequency        Intensity
  #    meV     cm^-1      [e^4A^4/eV^2]
-------------------------------------
(0,)    0.0       0.0       0.0
(1,)    0.0       0.0       0.0
(2,)    0.0       0.0       0.0
(3,)    5.2      42.0       0.0
(4,)    5.2      42.0   24626.4
(5,)  545.8    4402.2     718.3
(0, 0)    0.0       0.0       0.0
(0, 1)    0.0       0.0       0.0
(0, 2)    0.0       0.0       0.0
(0, 3)    5.2      42.0       0.0
(0, 4)    5.2      42.0       0.0
(0, 5)  545.8    4402.2       0.0
(1, 1)    0.0       0.0       0.0
(1, 2)    0.0       0.0       0.0
(1, 3)    5.2      42.0       0.0
(1, 4)    5.2      42.0       0.0
(1, 5)  545.8    4402.2       0.0
(2, 2)    0.0       0.0       0.0
(2, 3)    5.2      42.0       0.0
(2, 4)    5.2      42.0       0.0
(2, 5)  545.8    4402.2       0.0
(3, 3)   10.4      83.9       0.0
(3, 4)   10.4      83.9       0.0
(3, 5)  551.0    4444.2       0.0
(4, 4)   10.4      83.9    6683.4
(4, 5)  551.0    4444.2      45.7
(5, 5) 1091.6    8804.5       2.1
-------------------------------------
Zero-point energy: 0.278 eV
.Global seed for "test/vibrations/test_albrecht.py:test_summary" was: 1982

vibrations/test_bond_polarizability_raman.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bulk0
-------------------------------------
 Mode    Frequency        Intensity
  #    meV     cm^-1      [0.1A^4/amu]
-------------------------------------
  0    0.0       0.0        0.00
  1    0.0       0.0        0.00
  2    0.0       0.0        0.00
  3   13.8     111.7      268.26
  4   13.8     111.7      315.73
  5   38.4     310.0      932.91
-------------------------------------
-------------------------------------
 Mode    Frequency        Intensity
  #    meV     cm^-1      [0.1A^4/amu]
-------------------------------------
  0   -0.0      -0.0        0.00
  1    0.0       0.0        0.00
  2    0.0       0.0        0.00
  3   13.8     111.7      268.57
  4   13.8     111.7      315.42
  5   38.4     310.0      932.91
-------------------------------------
.Global seed for "test/vibrations/test_bond_polarizability_raman.py:test_bulk" was: 7647
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bulk_kpts0
-------------------------------------
 Mode    Frequency        Intensity
  #    meV     cm^-1      [A^4/amu]
-------------------------------------
  0  -21.1    -170.4       73.63
  1   -3.4     -27.7       60.46
  2   15.7     126.5       24.17
  3   25.5     205.5       32.85
  4   50.7     409.1      139.51
  5   71.1     573.1      143.99
  6  -21.1    -170.4       73.63
  7   -3.4     -27.7       60.46
  8   15.7     126.5       24.17
  9   25.5     205.5       32.85
 10   50.7     409.1      139.51
 11   71.1     573.1      143.99
 12  -21.1    -170.4       73.63
 13   -3.4     -27.7       60.46
 14   15.7     126.5       24.17
 15   25.5     205.5       32.85
 16   50.7     409.1      139.51
 17   71.1     573.1      143.99
 18  -21.1    -170.4       73.63
 19   -3.4     -27.7       60.46
 20   15.7     126.5       24.17
 21   25.5     205.5       32.85
 22   50.7     409.1      139.51
 23   71.1     573.1      143.99
-------------------------------------
.Global seed for "test/vibrations/test_bond_polarizability_raman.py:test_bulk_kpts" was: 9307
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_c30
-------------------------------------
 Mode    Frequency        Intensity
  #    meV     cm^-1      [0.1A^4/amu]
-------------------------------------
  0    0.0       0.0        0.00
  1    0.0       0.0        2.05
  2    0.0       0.0        0.00
  3    0.0       0.0        0.00
  4    0.1       0.6        0.00
  5    0.6       4.9        2.04
  6   45.1     363.7       53.63
  7   45.1     364.1       53.67
  8  116.1     936.6      357.32
-------------------------------------
.Global seed for "test/vibrations/test_bond_polarizability_raman.py:test_c3" was: 11570

vibrations/test_combine.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_combine0
.Global seed for "test/vibrations/test_combine.py:test_combine" was: 9791

vibrations/test_folding.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_folding0
.Global seed for "test/vibrations/test_folding.py:test_folding" was: 5961

vibrations/test_franck_condon.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_franck_condon0
.Global seed for "test/vibrations/test_franck_condon.py:test_franck_condon" was: 9300
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_all0
.Global seed for "test/vibrations/test_franck_condon.py:test_ch4_all" was: 10916
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_minfreq0
.Global seed for "test/vibrations/test_franck_condon.py:test_ch4_minfreq" was: 9955

vibrations/test_pickle2json.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.eq.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.eq.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.0x-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.0x-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.0x+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.0x+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.0y-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.0y-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.0y+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.0y+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.0z-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.0z-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.0z+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.0z+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.1x-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.1x-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.1x+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.1x+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.1y-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.1y-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.1y+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.1y+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.1z-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.1z-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.1z+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.1z+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.2x-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.2x-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.2x+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.2x+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.2y-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.2y-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.2y+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.2y+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.2z-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.2z-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.2z+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.2z+.json
.Global seed for "test/vibrations/test_pickle2json.py:test_pickle2json" was: 9319

vibrations/test_placzek.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_summary1
-------------------------------------
 excitation at 1.0 eV
 gamma 0.1 eV
 method: standard
 approximation: PlaczekAlpha
 Mode    Frequency        Intensity
  #    meV     cm^-1      [0.1A^4/amu]
-------------------------------------
  0    0.0       0.0        0.00
  1    0.0       0.0        0.00
  2    0.0       0.0        0.00
  3    5.2      42.0       11.97
  4    5.2      42.0       11.97
  5  545.8    4402.2      601.10
-------------------------------------
Zero-point energy: 0.278 eV
.Global seed for "test/vibrations/test_placzek.py:test_summary" was: 9923
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_names0
60.1094535660916 Placzek
.Global seed for "test/vibrations/test_placzek.py:test_names" was: 8925
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_overlap0
overlap 60.09786107805726 60.097880701779104 1.0000003265294555
.Global seed for "test/vibrations/test_placzek.py:test_overlap" was: 9250
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compare_placzek_implement0
60.10795134047361 Placzek
60.09736254067163 Profeta using frozenset
60.09735978020616 Profeta using overlap
.Global seed for "test/vibrations/test_placzek.py:test_compare_placzek_implementation_intensities" was: 992

vibrations/test_profeta_albrecht.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_compare_placzek_albrecht_0
pri, ali 1.7679062023552437 1.7545549306031656
pri, ali 42.66811272781292 42.68737391073275
pri, ali 60.098279679600545 60.04575293874359
.Global seed for "test/vibrations/test_profeta_albrecht.py:test_compare_placzek_albrecht_intensities" was: 9369

vibrations/test_vib.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_harmonic_vibrations0
.Global seed for "test/vibrations/test_vib.py:test_harmonic_vibrations" was: 6340
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_frederiksen0
.Global seed for "test/vibrations/test_vib.py:test_frederiksen" was: 2943
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_consistency_with_vibratio0
.Global seed for "test/vibrations/test_vib.py:test_consistency_with_vibrationsdata" was: 1901
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_json_manipulation0
.Global seed for "test/vibrations/test_vib.py:test_json_manipulation" was: 11796
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vibrations_methods0
.Global seed for "test/vibrations/test_vib.py:test_vibrations_methods" was: 8799
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vibrations_restart_dir0
.Global seed for "test/vibrations/test_vib.py:test_vibrations_restart_dir" was: 1421
.Global seed for "test/vibrations/test_vib.py:test_indices_from_mask" was: 7284
.Global seed for "test/vibrations/test_vib.py:test_indices_from_mask" was: 7284
.Global seed for "test/vibrations/test_vib.py:test_indices_from_mask" was: 7284
.Global seed for "test/vibrations/test_vib.py:test_indices_from_mask" was: 7284
.Global seed for "test/vibrations/test_vib.py:test_indices_from_mask" was: 7284
.Global seed for "test/vibrations/test_vib.py:test_indices_from_mask" was: 7284
.Global seed for "test/vibrations/test_vib.py:test_indices_from_constraint" was: 516
.Global seed for "test/vibrations/test_vib.py:test_indices_from_constraint" was: 516
.Global seed for "test/vibrations/test_vib.py:test_indices_from_constraint" was: 516
.Global seed for "test/vibrations/test_vib.py:test_indices_from_constraint" was: 516
.Global seed for "test/vibrations/test_vib.py:test_tabulate_energies" was: 6770
.Global seed for "test/vibrations/test_vib.py:test_get_jmol_images" was: 3679
.Global seed for "test/vibrations/test_vib.py:test_init" was: 8021
.Global seed for "test/vibrations/test_vib.py:test_energies_and_modes" was: 3557
.Global seed for "test/vibrations/test_vib.py:test_imaginary_energies" was: 9184
.Global seed for "test/vibrations/test_vib.py:test_zero_mass" was: 5330
.Global seed for "test/vibrations/test_vib.py:test_new_mass" was: 2657
.Global seed for "test/vibrations/test_vib.py:test_fixed_atoms" was: 11152
.Global seed for "test/vibrations/test_vib.py:test_constrained_atoms" was: 7157
.Global seed for "test/vibrations/test_vib.py:test_dos" was: 11356
.Global seed for "test/vibrations/test_vib.py:test_pdos" was: 5287
.Global seed for "test/vibrations/test_vib.py:test_todict" was: 9228
.Global seed for "test/vibrations/test_vib.py:test_dict_roundtrip" was: 963
.Global seed for "test/vibrations/test_vib.py:test_dict_indices" was: 10790
.Global seed for "test/vibrations/test_vib.py:test_dict_indices" was: 10790
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_jmol_roundtrip0
.Global seed for "test/vibrations/test_vib.py:test_jmol_roundtrip" was: 4334
.Global seed for "test/vibrations/test_vib.py:test_bad_hessian" was: 399
.Global seed for "test/vibrations/test_vib.py:test_bad_hessian2d" was: 2275
Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vibration_on_surface0
---------------------
  #    meV     cm^-1
---------------------
  0   29.9i    241.3i
  1    0.0       0.0
  2    0.0       0.0
  3    0.0       0.0
  4    0.0       0.0
  5   29.9     241.3
---------------------
Zero-point energy: 0.015 eV
.Global seed for "test/vibrations/test_vib.py:test_vibration_on_surface" was: 16

vibrations/test_vibrations_example.py Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vibrations_example0
      Step     Time          Energy          fmax
BFGS:    0 18:27:30        0.440344        3.251800
BFGS:    1 18:27:30        0.264361        0.347497
BFGS:    2 18:27:30        0.262860        0.080535
BFGS:    3 18:27:30        0.262777        0.001453
.Global seed for "test/vibrations/test_vibrations_example.py:test_vibrations_example" was: 10799


=============================== warnings summary ===============================
calculator/test_command.py::test_envvar_command[ace]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_ACE_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[amber]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_AMBER_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[castep]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded CASTEP_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[cp2k]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_CP2K_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[crystal]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_CRYSTAL_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[demon]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_DEMON_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[demonnano]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_DEMONNANO_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[dftb]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded DFTB_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[dftd3]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_DFTD3_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[dmol]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded DMOL_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[elk]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_ELK_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[gamess_us]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_GAMESSUS_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[gaussian]
fio/test_gaussian.py::test_read_write_gaussian_cartesian
fio/test_gaussian.py::test_read_write_gaussian_cartesian
fio/test_gaussian.py::test_read_write_gaussian_cartesian_basis_set
fio/test_gaussian.py::test_read_write_gaussian_cartesian_basis_set
fio/test_gaussian.py::test_read_write_gaussian_zmatrix
fio/test_gaussian.py::test_write_gaussian_calc
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_GAUSSIAN_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[gromacs]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_GROMACS_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[gulp]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_GULP_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[lammpsrun]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_LAMMPSRUN_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[mopac]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_MOPAC_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[nwchem]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_NWCHEM_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[openmx]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_OPENMX_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[siesta]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_SIESTA_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/test_command.py::test_envvar_command[vasp]
calculator/vasp/test_vasp_calculator.py::test_make_command_envvar[ASE_VASP_COMMAND]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded ASE_VASP_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/vasp/test_vasp_calculator.py::test_make_command_envvar[VASP_COMMAND]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded VASP_COMMAND from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

calculator/vasp/test_vasp_calculator.py::test_make_command_envvar[VASP_SCRIPT]
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/config.py:51: ASEEnvDeprecationWarning: Loaded VASP_SCRIPT from environment. Please use configfile.
    warnings.warn(f'Loaded {item} from environment. '

fio/test_castep.py: 11 warnings
  /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/build/lib/ase/io/castep/__init__.py:401: DeprecationWarning: 'maxsplit' is passed as positional argument
    L = re.split(r'[#!;]', l, 1)[0].strip()

-- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html
===== 2713 passed, 559 skipped, 5 xfailed, 41 warnings in 88.53s (0:01:28) =====
+ cd -
+ RPM_EC=0
/builddir/build/BUILD/python-ase-3.23.0-build
++ jobs -p
+ exit 0
Processing files: python3-ase-3.23.0-4.fc41.noarch
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.2re8r0
+ umask 022
+ cd /builddir/build/BUILD/python-ase-3.23.0-build
+ cd ase-3.23.0
+ DOCDIR=/builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/share/doc/python3-ase
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/share/doc/python3-ase
+ cp -pr /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/COPYING /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/share/doc/python3-ase
+ cp -pr /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/COPYING.LESSER /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/share/doc/python3-ase
+ cp -pr /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/LICENSE /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/share/doc/python3-ase
+ cp -pr /builddir/build/BUILD/python-ase-3.23.0-build/ase-3.23.0/README.rst /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT/usr/share/doc/python3-ase
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: application() application(ase-gui.desktop) python-ase = 3.23.0-4.fc41 python3-ase = 3.23.0-4.fc41 python3.13-ase = 3.23.0-4.fc41 python3.13dist(ase) = 3.23 python3dist(ase) = 3.23
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: /usr/bin/python3 python(abi) = 3.13 python3.13dist(matplotlib) >= 3.3.4 python3.13dist(numpy) >= 1.18.5 python3.13dist(scipy) >= 1.6
Obsoletes: python-ase < 3.23.0-4.fc41 python2-ase < 3.16.2-7
Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILD/python-ase-3.23.0-build/BUILDROOT
Wrote: /builddir/build/RPMS/python3-ase-3.23.0-4.fc41.noarch.rpm
Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.MNuba1
+ umask 022
+ cd /builddir/build/BUILD/python-ase-3.23.0-build
+ test -d /builddir/build/BUILD/python-ase-3.23.0-build
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w /builddir/build/BUILD/python-ase-3.23.0-build
+ rm -rf /builddir/build/BUILD/python-ase-3.23.0-build
+ RPM_EC=0
++ jobs -p
+ exit 0
Finish: rpmbuild python-ase-3.23.0-4.fc41.src.rpm
Finish: build phase for python-ase-3.23.0-4.fc41.src.rpm
INFO: chroot_scan: 1 files copied to /var/lib/copr-rpmbuild/results/chroot_scan
INFO: /var/lib/mock/fedora-41-x86_64-1725474323.679901/root/var/log/dnf5.log
INFO: Done(/var/lib/copr-rpmbuild/results/python-ase-3.23.0-4.fc41.src.rpm) Config(child) 1 minutes 58 seconds
INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results
INFO: Cleaning up build root ('cleanup_on_success=True')
Start: clean chroot
INFO: unmounting tmpfs.
Finish: clean chroot
Finish: run
Running RPMResults tool
Package info:
{
    "packages": [
        {
            "name": "python3-ase",
            "epoch": null,
            "version": "3.23.0",
            "release": "4.fc41",
            "arch": "noarch"
        },
        {
            "name": "python-ase",
            "epoch": null,
            "version": "3.23.0",
            "release": "4.fc41",
            "arch": "src"
        }
    ]
}
RPMResults finished