Warning: Permanently added '44.204.100.74' (ED25519) to the list of known hosts. Running: /usr/bin/copr-rpmbuild --verbose --drop-resultdir --build-id 4801969 --chroot fedora-rawhide-x86_64 --detached Version: 0.61 PID: 12963 Logging PID: 12964 Task: {'appstream': False, 'background': True, 'build_id': 4801969, 'buildroot_pkgs': [], 'chroot': 'fedora-rawhide-x86_64', 'enable_net': True, 'fedora_review': False, 'git_hash': 'fac5d6dc210c12f059ceb54bbd64dc6a8a47cd4e', 'git_repo': 'https://copr-dist-git.fedorainfracloud.org/git/thrnciar/mpb.73/python-cclib', 'isolation': 'default', 'memory_reqs': 2048, 'package_name': 'python-cclib', 'package_version': '1.7.1-2.20220618git8e6892a5', 'project_dirname': 'mpb.73', 'project_name': 'mpb.73', 'project_owner': 'thrnciar', 'repos': [{'baseurl': 'https://download.copr.fedorainfracloud.org/results/thrnciar/mpb.73/fedora-rawhide-x86_64/', 'id': 'copr_base', 'name': 'Copr repository'}], 'sandbox': 'thrnciar/mpb.73--thrnciar', 'source_json': {}, 'source_type': None, 'submitter': 'thrnciar', 'tags': [], 'task_id': '4801969-fedora-rawhide-x86_64', 'timeout': 108000, 'uses_devel_repo': False, 'with_opts': [], 'without_opts': []} Running: git clone https://copr-dist-git.fedorainfracloud.org/git/thrnciar/mpb.73/python-cclib /var/lib/copr-rpmbuild/workspace/workdir-ufzfsutt/python-cclib --depth 500 --no-single-branch --recursive cmd: ['git', 'clone', 'https://copr-dist-git.fedorainfracloud.org/git/thrnciar/mpb.73/python-cclib', '/var/lib/copr-rpmbuild/workspace/workdir-ufzfsutt/python-cclib', '--depth', '500', '--no-single-branch', '--recursive'] cwd: . rc: 0 stdout: stderr: Cloning into '/var/lib/copr-rpmbuild/workspace/workdir-ufzfsutt/python-cclib'... Running: git checkout fac5d6dc210c12f059ceb54bbd64dc6a8a47cd4e cmd: ['git', 'checkout', 'fac5d6dc210c12f059ceb54bbd64dc6a8a47cd4e'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-ufzfsutt/python-cclib rc: 0 stdout: stderr: Note: switching to 'fac5d6dc210c12f059ceb54bbd64dc6a8a47cd4e'. You are in 'detached HEAD' state. You can look around, make experimental changes and commit them, and you can discard any commits you make in this state without impacting any branches by switching back to a branch. If you want to create a new branch to retain commits you create, you may do so (now or later) by using -c with the switch command. Example: git switch -c Or undo this operation with: git switch - Turn off this advice by setting config variable advice.detachedHead to false HEAD is now at fac5d6d automatic import of python-cclib Running: copr-distgit-client sources /usr/bin/tail: /var/lib/copr-rpmbuild/main.log: file truncated cmd: ['copr-distgit-client', 'sources'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-ufzfsutt/python-cclib 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 cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz INFO: Calling: curl -H Pragma: -o cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz --location --remote-time --show-error --fail https://copr-dist-git.fedorainfracloud.org/repo/pkgs/thrnciar/mpb.73/python-cclib/cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz/md5/22f02bf4cc0602447a43116b8681cba5/cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz % Total % Received % Xferd Average Speed Time Time Time Current Dload Upload Total Spent Left Speed 100 40.4M 100 40.4M 0 0 23.7M 0 0:00:01 0:00:01 --:--:-- 23.7M INFO: Reading stdout from command: md5sum cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz Running (timeout=108000): unbuffer mock --buildsrpm --spec /var/lib/copr-rpmbuild/workspace/workdir-ufzfsutt/python-cclib/python-cclib.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-ufzfsutt/python-cclib --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1662042480.271716 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 3.1 starting (python version = 3.10.4, NVR = mock-3.1-1.fc35)... 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-ufzfsutt/python-cclib/python-cclib.spec) Config(fedora-rawhide-x86_64) Start: clean chroot Finish: clean chroot Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-x86_64-bootstrap-1662042480.271716/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: enabled HW Info plugin Mock Version: 3.1 INFO: Mock Version: 3.1 Start(bootstrap): dnf install No matches found for the following disable plugin patterns: local, spacewalk, versionlock Updating Subscription Management repositories. Unable to read consumer identity This system is not registered with an entitlement server. You can use subscription-manager to register. Copr repository 19 MB/s | 2.3 MB 00:00 fedora 1.5 MB/s | 65 MB 00:42 Last metadata expiration check: 0:00:01 ago on Thu Sep 1 14:28:24 2022. Dependencies resolved. ================================================================================ Package Arch Version Repo Size ================================================================================ Installing: dnf noarch 4.13.0-3.fc37 fedora 464 k dnf-plugins-core noarch 4.2.1-3.fc37 fedora 34 k Installing dependencies: alternatives x86_64 1.19-3.fc37 fedora 36 k audit-libs x86_64 3.0.9-1.fc38 fedora 116 k basesystem noarch 11-14.fc37 fedora 7.0 k bash x86_64 5.1.16-3.fc37 fedora 1.7 M bzip2-libs x86_64 1.0.8-12.fc37 fedora 41 k ca-certificates noarch 2022.2.54-5.fc37 fedora 829 k coreutils x86_64 9.1-7.fc38 fedora 1.1 M coreutils-common x86_64 9.1-7.fc38 fedora 2.0 M crypto-policies noarch 20220824-2.git2187e9c.fc38 fedora 86 k curl x86_64 7.84.0-3.fc38 fedora 312 k cyrus-sasl-lib x86_64 2.1.28-8.fc38 fedora 792 k dbus-libs x86_64 1:1.14.0-5.fc38 fedora 156 k dnf-data noarch 4.13.0-3.fc37 fedora 42 k elfutils-default-yama-scope noarch 0.187-8.fc38 fedora 16 k elfutils-libelf x86_64 0.187-8.fc38 fedora 197 k elfutils-libs x86_64 0.187-8.fc38 fedora 257 k expat x86_64 2.4.8-2.fc37 fedora 110 k fedora-gpg-keys noarch 38-0.3 fedora 125 k fedora-release noarch 38-0.3 fedora 11 k fedora-release-common noarch 38-0.3 fedora 22 k fedora-release-identity-basic noarch 38-0.3 fedora 12 k fedora-repos noarch 38-0.3 fedora 10 k fedora-repos-rawhide noarch 38-0.3 fedora 9.7 k file-libs x86_64 5.42-4.fc38 copr_base 676 k filesystem x86_64 3.18-2.fc37 fedora 1.1 M findutils x86_64 1:4.9.0-2.fc37 fedora 492 k gawk x86_64 5.1.1-4.fc37 fedora 1.0 M gdbm-libs x86_64 1:1.23-2.fc37 fedora 56 k glib2 x86_64 2.73.3-2.fc38 fedora 2.7 M glibc x86_64 2.36.9000-2.fc38 fedora 2.1 M glibc-common x86_64 2.36.9000-2.fc38 fedora 288 k glibc-minimal-langpack x86_64 2.36.9000-2.fc38 fedora 10 k gmp x86_64 1:6.2.1-3.fc37 fedora 315 k gnupg2 x86_64 2.3.7-3.fc37 fedora 2.5 M gnutls x86_64 3.7.7-1.fc37 fedora 1.1 M gpgme x86_64 1.17.0-4.fc37 fedora 210 k grep x86_64 3.7-4.fc37 fedora 273 k ima-evm-utils x86_64 1.4-6.fc37 fedora 63 k json-c x86_64 0.16-2.fc37 fedora 41 k keyutils-libs x86_64 1.6.1-5.fc37 fedora 31 k krb5-libs x86_64 1.19.2-11.fc37.1 fedora 727 k libacl x86_64 2.3.1-4.fc37 fedora 23 k libarchive x86_64 3.6.1-2.fc37 fedora 397 k libassuan x86_64 2.5.5-5.fc37 fedora 67 k libattr x86_64 2.5.1-5.fc37 fedora 18 k libb2 x86_64 0.98.1-7.fc37 fedora 25 k libblkid x86_64 2.38.1-2.fc38 fedora 107 k libbrotli x86_64 1.0.9-9.fc38 copr_base 316 k libcap x86_64 2.48-5.fc37 fedora 67 k libcap-ng x86_64 0.8.3-3.fc37 fedora 33 k libcom_err x86_64 1.46.5-3.fc37 fedora 25 k libcomps x86_64 0.1.18-4.fc37 fedora 76 k libcurl x86_64 7.84.0-3.fc38 fedora 306 k libdnf x86_64 0.68.0-1.fc38 fedora 673 k libevent x86_64 2.1.12-7.fc37 fedora 261 k libffi x86_64 3.4.2-9.fc37 fedora 37 k libfsverity x86_64 1.4-8.fc37 fedora 19 k libgcc x86_64 12.2.1-1.fc38 fedora 106 k libgcrypt x86_64 1.10.1-4.fc37 fedora 512 k libgomp x86_64 12.2.1-1.fc38 fedora 293 k libgpg-error x86_64 1.45-2.fc37 fedora 227 k libidn2 x86_64 2.3.3-2.fc37 fedora 113 k libksba x86_64 1.6.0-4.fc37 fedora 157 k libmodulemd x86_64 2.14.0-4.fc37 fedora 234 k libmount x86_64 2.38.1-2.fc38 fedora 135 k libnghttp2 x86_64 1.49.0-1.fc38 fedora 74 k libnsl2 x86_64 2.0.0-4.fc37 fedora 30 k libpsl x86_64 0.21.1-6.fc37 fedora 63 k librepo x86_64 1.14.4-1.fc38 fedora 94 k libreport-filesystem noarch 2.17.2-1.fc38 fedora 13 k libselinux x86_64 3.4-5.fc37 fedora 86 k libsemanage x86_64 3.4-5.fc37 fedora 120 k libsepol x86_64 3.4-3.fc37 fedora 322 k libsigsegv x86_64 2.14-3.fc37 fedora 27 k libsmartcols x86_64 2.38.1-2.fc38 fedora 64 k libsolv x86_64 0.7.22-3.fc37 fedora 405 k libssh x86_64 0.9.6-5.fc37 fedora 203 k libssh-config noarch 0.9.6-5.fc37 fedora 7.8 k libstdc++ x86_64 12.2.1-1.fc38 fedora 799 k libtasn1 x86_64 4.18.0-3.fc37 fedora 75 k libtirpc x86_64 1.3.3-0.fc37 fedora 93 k libunistring x86_64 1.0-2.fc37 fedora 549 k libuuid x86_64 2.38.1-2.fc38 fedora 28 k libverto x86_64 0.3.2-4.fc37 fedora 21 k libxcrypt x86_64 4.4.28-3.fc38 fedora 117 k libxml2 x86_64 2.9.14-3.fc37 fedora 752 k libyaml x86_64 0.2.5-8.fc37 fedora 60 k libzstd x86_64 1.5.2-3.fc37 fedora 294 k lua-libs x86_64 5.4.4-4.fc37 fedora 217 k lz4-libs x86_64 1.9.3-5.fc37 fedora 70 k mpdecimal x86_64 2.5.1-4.fc37 fedora 102 k mpfr x86_64 4.1.0-10.fc37 fedora 331 k ncurses-base noarch 6.3-3.20220501.fc37 fedora 86 k ncurses-libs x86_64 6.3-3.20220501.fc37 fedora 329 k nettle x86_64 3.8-2.fc37 fedora 414 k npth x86_64 1.6-9.fc37 fedora 24 k openldap x86_64 2.6.3-1.fc38 fedora 254 k openssl-libs x86_64 1:3.0.5-2.fc37 fedora 2.1 M p11-kit x86_64 0.24.1-3.fc37 fedora 376 k p11-kit-trust x86_64 0.24.1-3.fc37 fedora 138 k pcre x86_64 8.45-1.fc37.2 fedora 202 k pcre2 x86_64 10.40-1.fc37.1 fedora 236 k pcre2-syntax noarch 10.40-1.fc37.1 fedora 142 k popt x86_64 1.19~rc1-4.fc38 fedora 65 k publicsuffix-list-dafsa noarch 20210518-5.fc37 fedora 58 k python-pip-wheel noarch 22.2-1.fc37 fedora 1.4 M python-setuptools-wheel noarch 65.3.0-1.fc38 copr_base 715 k python3 x86_64 3.11.0~rc1-2.fc38 fedora 27 k python3-dateutil noarch 1:2.8.2-4.fc37 fedora 361 k python3-dbus x86_64 1.2.18-5.fc37 fedora 156 k python3-distro noarch 1.7.0-3.fc37 fedora 48 k python3-dnf noarch 4.13.0-3.fc37 fedora 605 k python3-dnf-plugins-core noarch 4.2.1-3.fc37 fedora 268 k python3-gpg x86_64 1.17.0-4.fc37 fedora 298 k python3-hawkey x86_64 0.68.0-1.fc38 fedora 108 k python3-libcomps x86_64 0.1.18-4.fc37 fedora 48 k python3-libdnf x86_64 0.68.0-1.fc38 fedora 818 k python3-libs x86_64 3.11.0~rc1-2.fc38 fedora 9.6 M python3-rpm x86_64 4.18.0-0.beta1.4.fc37 fedora 93 k python3-six noarch 1.16.0-8.fc37 fedora 42 k readline x86_64 8.1-7.fc37 fedora 211 k rpm x86_64 4.18.0-0.beta1.4.fc37 fedora 570 k rpm-build-libs x86_64 4.18.0-0.beta1.4.fc37 fedora 93 k rpm-libs x86_64 4.18.0-0.beta1.4.fc37 fedora 319 k rpm-sign-libs x86_64 4.18.0-0.beta1.4.fc37 fedora 26 k sed x86_64 4.8-11.fc37 fedora 306 k setup noarch 2.14.1-2.fc37 fedora 149 k shadow-utils x86_64 2:4.12.3-1.fc38 fedora 1.3 M sqlite-libs x86_64 3.39.2-2.fc37 fedora 657 k systemd-libs x86_64 251.4-53.fc38 fedora 620 k tpm2-tss x86_64 3.2.0-3.fc37 fedora 600 k tzdata noarch 2022c-1.fc38 fedora 717 k xz-libs x86_64 5.2.5-10.fc37 fedora 92 k zchunk-libs x86_64 1.2.2-2.fc37 fedora 51 k zlib x86_64 1.2.12-5.fc38 fedora 94 k Transaction Summary ================================================================================ Install 137 Packages Total download size: 56 M Installed size: 195 M Downloading Packages: (1/137): file-libs-5.42-4.fc38.x86_64.rpm 16 MB/s | 676 kB 00:00 (2/137): python-setuptools-wheel-65.3.0-1.fc38. 16 MB/s | 715 kB 00:00 (3/137): libbrotli-1.0.9-9.fc38.x86_64.rpm 6.1 MB/s | 316 kB 00:00 (4/137): basesystem-11-14.fc37.noarch.rpm 68 kB/s | 7.0 kB 00:00 (5/137): alternatives-1.19-3.fc37.x86_64.rpm 253 kB/s | 36 kB 00:00 (6/137): bzip2-libs-1.0.8-12.fc37.x86_64.rpm 1.0 MB/s | 41 kB 00:00 (7/137): audit-libs-3.0.9-1.fc38.x86_64.rpm 536 kB/s | 116 kB 00:00 (8/137): bash-5.1.16-3.fc37.x86_64.rpm 5.1 MB/s | 1.7 MB 00:00 (9/137): coreutils-9.1-7.fc38.x86_64.rpm 4.8 MB/s | 1.1 MB 00:00 (10/137): ca-certificates-2022.2.54-5.fc37.noar 3.0 MB/s | 829 kB 00:00 (11/137): curl-7.84.0-3.fc38.x86_64.rpm 7.6 MB/s | 312 kB 00:00 (12/137): crypto-policies-20220824-2.git2187e9c 736 kB/s | 86 kB 00:00 (13/137): dbus-libs-1.14.0-5.fc38.x86_64.rpm 3.8 MB/s | 156 kB 00:00 (14/137): coreutils-common-9.1-7.fc38.x86_64.rp 12 MB/s | 2.0 MB 00:00 (15/137): cyrus-sasl-lib-2.1.28-8.fc38.x86_64.r 6.3 MB/s | 792 kB 00:00 (16/137): dnf-data-4.13.0-3.fc37.noarch.rpm 1.1 MB/s | 42 kB 00:00 (17/137): dnf-plugins-core-4.2.1-3.fc37.noarch. 960 kB/s | 34 kB 00:00 (18/137): elfutils-default-yama-scope-0.187-8.f 468 kB/s | 16 kB 00:00 (19/137): elfutils-libelf-0.187-8.fc38.x86_64.r 5.1 MB/s | 197 kB 00:00 (20/137): dnf-4.13.0-3.fc37.noarch.rpm 4.2 MB/s | 464 kB 00:00 (21/137): elfutils-libs-0.187-8.fc38.x86_64.rpm 6.1 MB/s | 257 kB 00:00 (22/137): expat-2.4.8-2.fc37.x86_64.rpm 2.7 MB/s | 110 kB 00:00 (23/137): fedora-gpg-keys-38-0.3.noarch.rpm 3.2 MB/s | 125 kB 00:00 (24/137): fedora-release-38-0.3.noarch.rpm 321 kB/s | 11 kB 00:00 (25/137): fedora-release-common-38-0.3.noarch.r 618 kB/s | 22 kB 00:00 (26/137): fedora-release-identity-basic-38-0.3. 339 kB/s | 12 kB 00:00 (27/137): fedora-repos-38-0.3.noarch.rpm 290 kB/s | 10 kB 00:00 (28/137): fedora-repos-rawhide-38-0.3.noarch.rp 277 kB/s | 9.7 kB 00:00 (29/137): findutils-4.9.0-2.fc37.x86_64.rpm 6.6 MB/s | 492 kB 00:00 (30/137): gdbm-libs-1.23-2.fc37.x86_64.rpm 1.5 MB/s | 56 kB 00:00 (31/137): filesystem-3.18-2.fc37.x86_64.rpm 7.4 MB/s | 1.1 MB 00:00 (32/137): gawk-5.1.1-4.fc37.x86_64.rpm 6.7 MB/s | 1.0 MB 00:00 (33/137): glibc-common-2.36.9000-2.fc38.x86_64. 4.0 MB/s | 288 kB 00:00 (34/137): glibc-minimal-langpack-2.36.9000-2.fc 288 kB/s | 10 kB 00:00 (35/137): gmp-6.2.1-3.fc37.x86_64.rpm 4.3 MB/s | 315 kB 00:00 (36/137): glib2-2.73.3-2.fc38.x86_64.rpm 10 MB/s | 2.7 MB 00:00 (37/137): glibc-2.36.9000-2.fc38.x86_64.rpm 8.1 MB/s | 2.1 MB 00:00 (38/137): gpgme-1.17.0-4.fc37.x86_64.rpm 5.4 MB/s | 210 kB 00:00 (39/137): grep-3.7-4.fc37.x86_64.rpm 6.6 MB/s | 273 kB 00:00 (40/137): gnutls-3.7.7-1.fc37.x86_64.rpm 9.7 MB/s | 1.1 MB 00:00 (41/137): ima-evm-utils-1.4-6.fc37.x86_64.rpm 1.7 MB/s | 63 kB 00:00 (42/137): json-c-0.16-2.fc37.x86_64.rpm 1.1 MB/s | 41 kB 00:00 (43/137): keyutils-libs-1.6.1-5.fc37.x86_64.rpm 880 kB/s | 31 kB 00:00 (44/137): libacl-2.3.1-4.fc37.x86_64.rpm 609 kB/s | 23 kB 00:00 (45/137): krb5-libs-1.19.2-11.fc37.1.x86_64.rpm 9.0 MB/s | 727 kB 00:00 (46/137): libassuan-2.5.5-5.fc37.x86_64.rpm 1.8 MB/s | 67 kB 00:00 (47/137): libarchive-3.6.1-2.fc37.x86_64.rpm 5.2 MB/s | 397 kB 00:00 (48/137): libattr-2.5.1-5.fc37.x86_64.rpm 510 kB/s | 18 kB 00:00 (49/137): gnupg2-2.3.7-3.fc37.x86_64.rpm 7.1 MB/s | 2.5 MB 00:00 (50/137): libb2-0.98.1-7.fc37.x86_64.rpm 649 kB/s | 25 kB 00:00 (51/137): libblkid-2.38.1-2.fc38.x86_64.rpm 2.8 MB/s | 107 kB 00:00 (52/137): libcap-2.48-5.fc37.x86_64.rpm 1.6 MB/s | 67 kB 00:00 (53/137): libcap-ng-0.8.3-3.fc37.x86_64.rpm 837 kB/s | 33 kB 00:00 (54/137): libcom_err-1.46.5-3.fc37.x86_64.rpm 716 kB/s | 25 kB 00:00 (55/137): libcomps-0.1.18-4.fc37.x86_64.rpm 1.8 MB/s | 76 kB 00:00 (56/137): libcurl-7.84.0-3.fc38.x86_64.rpm 4.8 MB/s | 306 kB 00:00 (57/137): libevent-2.1.12-7.fc37.x86_64.rpm 5.9 MB/s | 261 kB 00:00 (58/137): libffi-3.4.2-9.fc37.x86_64.rpm 983 kB/s | 37 kB 00:00 (59/137): libdnf-0.68.0-1.fc38.x86_64.rpm 6.7 MB/s | 673 kB 00:00 (60/137): libfsverity-1.4-8.fc37.x86_64.rpm 502 kB/s | 19 kB 00:00 (61/137): libgcc-12.2.1-1.fc38.x86_64.rpm 2.8 MB/s | 106 kB 00:00 (62/137): libgomp-12.2.1-1.fc38.x86_64.rpm 6.5 MB/s | 293 kB 00:00 (63/137): libgpg-error-1.45-2.fc37.x86_64.rpm 5.8 MB/s | 227 kB 00:00 (64/137): libidn2-2.3.3-2.fc37.x86_64.rpm 3.0 MB/s | 113 kB 00:00 (65/137): libksba-1.6.0-4.fc37.x86_64.rpm 4.1 MB/s | 157 kB 00:00 (66/137): libgcrypt-1.10.1-4.fc37.x86_64.rpm 4.5 MB/s | 512 kB 00:00 (67/137): libmodulemd-2.14.0-4.fc37.x86_64.rpm 5.7 MB/s | 234 kB 00:00 (68/137): libmount-2.38.1-2.fc38.x86_64.rpm 3.6 MB/s | 135 kB 00:00 (69/137): libnghttp2-1.49.0-1.fc38.x86_64.rpm 2.0 MB/s | 74 kB 00:00 (70/137): libnsl2-2.0.0-4.fc37.x86_64.rpm 854 kB/s | 30 kB 00:00 (71/137): libpsl-0.21.1-6.fc37.x86_64.rpm 1.7 MB/s | 63 kB 00:00 (72/137): librepo-1.14.4-1.fc38.x86_64.rpm 2.5 MB/s | 94 kB 00:00 (73/137): libreport-filesystem-2.17.2-1.fc38.no 370 kB/s | 13 kB 00:00 (74/137): libselinux-3.4-5.fc37.x86_64.rpm 2.1 MB/s | 86 kB 00:00 (75/137): libsepol-3.4-3.fc37.x86_64.rpm 4.3 MB/s | 322 kB 00:00 (76/137): libsigsegv-2.14-3.fc37.x86_64.rpm 351 kB/s | 27 kB 00:00 (77/137): libsemanage-3.4-5.fc37.x86_64.rpm 1.0 MB/s | 120 kB 00:00 (78/137): libsmartcols-2.38.1-2.fc38.x86_64.rpm 1.7 MB/s | 64 kB 00:00 (79/137): libssh-config-0.9.6-5.fc37.noarch.rpm 223 kB/s | 7.8 kB 00:00 (80/137): libsolv-0.7.22-3.fc37.x86_64.rpm 5.3 MB/s | 405 kB 00:00 (81/137): libssh-0.9.6-5.fc37.x86_64.rpm 2.7 MB/s | 203 kB 00:00 (82/137): libtasn1-4.18.0-3.fc37.x86_64.rpm 2.0 MB/s | 75 kB 00:00 (83/137): libtirpc-1.3.3-0.fc37.x86_64.rpm 2.5 MB/s | 93 kB 00:00 (84/137): libuuid-2.38.1-2.fc38.x86_64.rpm 715 kB/s | 28 kB 00:00 (85/137): libstdc++-12.2.1-1.fc38.x86_64.rpm 7.0 MB/s | 799 kB 00:00 (86/137): libverto-0.3.2-4.fc37.x86_64.rpm 580 kB/s | 21 kB 00:00 (87/137): libxcrypt-4.4.28-3.fc38.x86_64.rpm 3.1 MB/s | 117 kB 00:00 (88/137): libunistring-1.0-2.fc37.x86_64.rpm 4.9 MB/s | 549 kB 00:00 (89/137): libyaml-0.2.5-8.fc37.x86_64.rpm 1.6 MB/s | 60 kB 00:00 (90/137): lua-libs-5.4.4-4.fc37.x86_64.rpm 5.1 MB/s | 217 kB 00:00 (91/137): libzstd-1.5.2-3.fc37.x86_64.rpm 4.0 MB/s | 294 kB 00:00 (92/137): lz4-libs-1.9.3-5.fc37.x86_64.rpm 1.8 MB/s | 70 kB 00:00 (93/137): mpdecimal-2.5.1-4.fc37.x86_64.rpm 2.7 MB/s | 102 kB 00:00 (94/137): ncurses-base-6.3-3.20220501.fc37.noar 2.2 MB/s | 86 kB 00:00 (95/137): libxml2-2.9.14-3.fc37.x86_64.rpm 4.0 MB/s | 752 kB 00:00 (96/137): mpfr-4.1.0-10.fc37.x86_64.rpm 4.5 MB/s | 331 kB 00:00 (97/137): npth-1.6-9.fc37.x86_64.rpm 687 kB/s | 24 kB 00:00 (98/137): ncurses-libs-6.3-3.20220501.fc37.x86_ 4.5 MB/s | 329 kB 00:00 (99/137): openldap-2.6.3-1.fc38.x86_64.rpm 6.4 MB/s | 254 kB 00:00 (100/137): nettle-3.8-2.fc37.x86_64.rpm 3.7 MB/s | 414 kB 00:00 (101/137): p11-kit-trust-0.24.1-3.fc37.x86_64.r 3.5 MB/s | 138 kB 00:00 (102/137): p11-kit-0.24.1-3.fc37.x86_64.rpm 5.1 MB/s | 376 kB 00:00 (103/137): pcre2-10.40-1.fc37.1.x86_64.rpm 5.6 MB/s | 236 kB 00:00 (104/137): pcre-8.45-1.fc37.2.x86_64.rpm 2.8 MB/s | 202 kB 00:00 (105/137): pcre2-syntax-10.40-1.fc37.1.noarch.r 3.7 MB/s | 142 kB 00:00 (106/137): popt-1.19~rc1-4.fc38.x86_64.rpm 1.8 MB/s | 65 kB 00:00 (107/137): publicsuffix-list-dafsa-20210518-5.f 1.6 MB/s | 58 kB 00:00 (108/137): python3-3.11.0~rc1-2.fc38.x86_64.rpm 767 kB/s | 27 kB 00:00 (109/137): openssl-libs-3.0.5-2.fc37.x86_64.rpm 6.5 MB/s | 2.1 MB 00:00 (110/137): python3-dateutil-2.8.2-4.fc37.noarch 4.8 MB/s | 361 kB 00:00 (111/137): python3-dbus-1.2.18-5.fc37.x86_64.rp 4.0 MB/s | 156 kB 00:00 (112/137): python3-distro-1.7.0-3.fc37.noarch.r 1.3 MB/s | 48 kB 00:00 (113/137): python3-dnf-plugins-core-4.2.1-3.fc3 6.4 MB/s | 268 kB 00:00 (114/137): python3-gpg-1.17.0-4.fc37.x86_64.rpm 7.4 MB/s | 298 kB 00:00 (115/137): python3-dnf-4.13.0-3.fc37.noarch.rpm 5.4 MB/s | 605 kB 00:00 (116/137): python3-hawkey-0.68.0-1.fc38.x86_64. 2.9 MB/s | 108 kB 00:00 (117/137): python-pip-wheel-22.2-1.fc37.noarch. 4.4 MB/s | 1.4 MB 00:00 (118/137): python3-libcomps-0.1.18-4.fc37.x86_6 1.3 MB/s | 48 kB 00:00 (119/137): python3-rpm-4.18.0-0.beta1.4.fc37.x8 2.5 MB/s | 93 kB 00:00 (120/137): python3-six-1.16.0-8.fc37.noarch.rpm 1.2 MB/s | 42 kB 00:00 (121/137): python3-libdnf-0.68.0-1.fc38.x86_64. 7.2 MB/s | 818 kB 00:00 (122/137): readline-8.1-7.fc37.x86_64.rpm 5.4 MB/s | 211 kB 00:00 (123/137): rpm-build-libs-4.18.0-0.beta1.4.fc37 2.3 MB/s | 93 kB 00:00 (124/137): rpm-libs-4.18.0-0.beta1.4.fc37.x86_6 4.4 MB/s | 319 kB 00:00 (125/137): rpm-sign-libs-4.18.0-0.beta1.4.fc37. 748 kB/s | 26 kB 00:00 (126/137): rpm-4.18.0-0.beta1.4.fc37.x86_64.rpm 2.9 MB/s | 570 kB 00:00 (127/137): setup-2.14.1-2.fc37.noarch.rpm 3.9 MB/s | 149 kB 00:00 (128/137): sed-4.8-11.fc37.x86_64.rpm 4.0 MB/s | 306 kB 00:00 (129/137): sqlite-libs-3.39.2-2.fc37.x86_64.rpm 5.3 MB/s | 657 kB 00:00 (130/137): shadow-utils-4.12.3-1.fc38.x86_64.rp 5.5 MB/s | 1.3 MB 00:00 (131/137): systemd-libs-251.4-53.fc38.x86_64.rp 3.2 MB/s | 620 kB 00:00 (132/137): tpm2-tss-3.2.0-3.fc37.x86_64.rpm 3.7 MB/s | 600 kB 00:00 (133/137): xz-libs-5.2.5-10.fc37.x86_64.rpm 2.4 MB/s | 92 kB 00:00 (134/137): zchunk-libs-1.2.2-2.fc37.x86_64.rpm 1.4 MB/s | 51 kB 00:00 (135/137): zlib-1.2.12-5.fc38.x86_64.rpm 2.4 MB/s | 94 kB 00:00 (136/137): tzdata-2022c-1.fc38.noarch.rpm 3.1 MB/s | 717 kB 00:00 (137/137): python3-libs-3.11.0~rc1-2.fc38.x86_6 1.0 MB/s | 9.6 MB 00:09 -------------------------------------------------------------------------------- Total 4.4 MB/s | 56 MB 00:12 fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0xEB10B464: Userid : "Fedora (38) " Fingerprint: 6A51 BBAB BA3D 5467 B617 1221 809A 8D7C EB10 B464 From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-38-primary Key imported successfully fedora 1.6 MB/s | 1.6 kB 00:00 GPG key at file:///usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-38-primary (0xEB10B464) is already installed fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0x5323552A: Userid : "Fedora (37) " Fingerprint: ACB5 EE4E 831C 74BB 7C16 8D27 F55A D3FB 5323 552A From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-37-primary Key imported successfully Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Running scriptlet: filesystem-3.18-2.fc37.x86_64 1/1 Preparing : 1/1 Installing : libgcc-12.2.1-1.fc38.x86_64 1/137 Running scriptlet: libgcc-12.2.1-1.fc38.x86_64 1/137 Installing : crypto-policies-20220824-2.git2187e9c.fc38.noarc 2/137 Running scriptlet: crypto-policies-20220824-2.git2187e9c.fc38.noarc 2/137 Installing : tzdata-2022c-1.fc38.noarch 3/137 Installing : fedora-release-identity-basic-38-0.3.noarch 4/137 Installing : publicsuffix-list-dafsa-20210518-5.fc37.noarch 5/137 Installing : pcre2-syntax-10.40-1.fc37.1.noarch 6/137 Installing : ncurses-base-6.3-3.20220501.fc37.noarch 7/137 Installing : libssh-config-0.9.6-5.fc37.noarch 8/137 Installing : libreport-filesystem-2.17.2-1.fc38.noarch 9/137 Installing : dnf-data-4.13.0-3.fc37.noarch 10/137 warning: /etc/dnf/dnf.conf created as /etc/dnf/dnf.conf.rpmnew Installing : fedora-gpg-keys-38-0.3.noarch 11/137 Installing : fedora-release-38-0.3.noarch 12/137 Installing : fedora-release-common-38-0.3.noarch 13/137 Installing : fedora-repos-rawhide-38-0.3.noarch 14/137 Installing : fedora-repos-38-0.3.noarch 15/137 Installing : setup-2.14.1-2.fc37.noarch 16/137 warning: /etc/hosts created as /etc/hosts.rpmnew Running scriptlet: setup-2.14.1-2.fc37.noarch 16/137 Installing : filesystem-3.18-2.fc37.x86_64 17/137 Installing : basesystem-11-14.fc37.noarch 18/137 Installing : glibc-minimal-langpack-2.36.9000-2.fc38.x86_64 19/137 Installing : glibc-common-2.36.9000-2.fc38.x86_64 20/137 Running scriptlet: glibc-2.36.9000-2.fc38.x86_64 21/137 Installing : glibc-2.36.9000-2.fc38.x86_64 21/137 Running scriptlet: glibc-2.36.9000-2.fc38.x86_64 21/137 Installing : ncurses-libs-6.3-3.20220501.fc37.x86_64 22/137 Installing : bash-5.1.16-3.fc37.x86_64 23/137 Running scriptlet: bash-5.1.16-3.fc37.x86_64 23/137 Installing : zlib-1.2.12-5.fc38.x86_64 24/137 Installing : bzip2-libs-1.0.8-12.fc37.x86_64 25/137 Installing : xz-libs-5.2.5-10.fc37.x86_64 26/137 Installing : libzstd-1.5.2-3.fc37.x86_64 27/137 Installing : sqlite-libs-3.39.2-2.fc37.x86_64 28/137 Installing : libcap-2.48-5.fc37.x86_64 29/137 Installing : gmp-1:6.2.1-3.fc37.x86_64 30/137 Installing : libgpg-error-1.45-2.fc37.x86_64 31/137 Installing : popt-1.19~rc1-4.fc38.x86_64 32/137 Installing : libxml2-2.9.14-3.fc37.x86_64 33/137 Installing : libstdc++-12.2.1-1.fc38.x86_64 34/137 Installing : lua-libs-5.4.4-4.fc37.x86_64 35/137 Installing : file-libs-5.42-4.fc38.x86_64 36/137 Installing : elfutils-libelf-0.187-8.fc38.x86_64 37/137 Installing : readline-8.1-7.fc37.x86_64 38/137 Installing : libattr-2.5.1-5.fc37.x86_64 39/137 Installing : libacl-2.3.1-4.fc37.x86_64 40/137 Installing : libffi-3.4.2-9.fc37.x86_64 41/137 Installing : p11-kit-0.24.1-3.fc37.x86_64 42/137 Installing : libunistring-1.0-2.fc37.x86_64 43/137 Installing : libidn2-2.3.3-2.fc37.x86_64 44/137 Installing : libuuid-2.38.1-2.fc38.x86_64 45/137 Installing : libxcrypt-4.4.28-3.fc38.x86_64 46/137 Installing : libassuan-2.5.5-5.fc37.x86_64 47/137 Installing : expat-2.4.8-2.fc37.x86_64 48/137 Installing : gdbm-libs-1:1.23-2.fc37.x86_64 49/137 Installing : json-c-0.16-2.fc37.x86_64 50/137 Installing : keyutils-libs-1.6.1-5.fc37.x86_64 51/137 Installing : libcom_err-1.46.5-3.fc37.x86_64 52/137 Installing : libgomp-12.2.1-1.fc38.x86_64 53/137 Installing : libsepol-3.4-3.fc37.x86_64 54/137 Installing : libsmartcols-2.38.1-2.fc38.x86_64 55/137 Installing : libtasn1-4.18.0-3.fc37.x86_64 56/137 Installing : lz4-libs-1.9.3-5.fc37.x86_64 57/137 Installing : pcre2-10.40-1.fc37.1.x86_64 58/137 Installing : libselinux-3.4-5.fc37.x86_64 59/137 Installing : sed-4.8-11.fc37.x86_64 60/137 Installing : findutils-1:4.9.0-2.fc37.x86_64 61/137 Installing : systemd-libs-251.4-53.fc38.x86_64 62/137 Installing : dbus-libs-1:1.14.0-5.fc38.x86_64 63/137 Installing : libb2-0.98.1-7.fc37.x86_64 64/137 Installing : cyrus-sasl-lib-2.1.28-8.fc38.x86_64 65/137 Installing : libcomps-0.1.18-4.fc37.x86_64 66/137 Installing : libblkid-2.38.1-2.fc38.x86_64 67/137 Installing : libmount-2.38.1-2.fc38.x86_64 68/137 Installing : libpsl-0.21.1-6.fc37.x86_64 69/137 Installing : mpdecimal-2.5.1-4.fc37.x86_64 70/137 Installing : libgcrypt-1.10.1-4.fc37.x86_64 71/137 Installing : libksba-1.6.0-4.fc37.x86_64 72/137 Installing : mpfr-4.1.0-10.fc37.x86_64 73/137 Installing : nettle-3.8-2.fc37.x86_64 74/137 Installing : elfutils-default-yama-scope-0.187-8.fc38.noarch 75/137 Running scriptlet: elfutils-default-yama-scope-0.187-8.fc38.noarch 75/137 Installing : elfutils-libs-0.187-8.fc38.x86_64 76/137 Installing : libbrotli-1.0.9-9.fc38.x86_64 77/137 Installing : alternatives-1.19-3.fc37.x86_64 78/137 Installing : p11-kit-trust-0.24.1-3.fc37.x86_64 79/137 Running scriptlet: p11-kit-trust-0.24.1-3.fc37.x86_64 79/137 Installing : gnutls-3.7.7-1.fc37.x86_64 80/137 Installing : glib2-2.73.3-2.fc38.x86_64 81/137 Installing : libcap-ng-0.8.3-3.fc37.x86_64 82/137 Installing : audit-libs-3.0.9-1.fc38.x86_64 83/137 Installing : libsemanage-3.4-5.fc37.x86_64 84/137 Installing : shadow-utils-2:4.12.3-1.fc38.x86_64 85/137 Installing : libnghttp2-1.49.0-1.fc38.x86_64 86/137 Installing : libsigsegv-2.14-3.fc37.x86_64 87/137 Installing : gawk-5.1.1-4.fc37.x86_64 88/137 Installing : libverto-0.3.2-4.fc37.x86_64 89/137 Installing : libyaml-0.2.5-8.fc37.x86_64 90/137 Installing : npth-1.6-9.fc37.x86_64 91/137 Installing : pcre-8.45-1.fc37.2.x86_64 92/137 Installing : grep-3.7-4.fc37.x86_64 93/137 Installing : coreutils-common-9.1-7.fc38.x86_64 94/137 Installing : openssl-libs-1:3.0.5-2.fc37.x86_64 95/137 Installing : coreutils-9.1-7.fc38.x86_64 96/137 Running scriptlet: ca-certificates-2022.2.54-5.fc37.noarch 97/137 Installing : ca-certificates-2022.2.54-5.fc37.noarch 97/137 Running scriptlet: ca-certificates-2022.2.54-5.fc37.noarch 97/137 Installing : krb5-libs-1.19.2-11.fc37.1.x86_64 98/137 Installing : libtirpc-1.3.3-0.fc37.x86_64 99/137 Installing : libfsverity-1.4-8.fc37.x86_64 100/137 Installing : zchunk-libs-1.2.2-2.fc37.x86_64 101/137 Installing : libnsl2-2.0.0-4.fc37.x86_64 102/137 Installing : libssh-0.9.6-5.fc37.x86_64 103/137 Installing : python-pip-wheel-22.2-1.fc37.noarch 104/137 Installing : libarchive-3.6.1-2.fc37.x86_64 105/137 Installing : libevent-2.1.12-7.fc37.x86_64 106/137 Installing : openldap-2.6.3-1.fc38.x86_64 107/137 Installing : libcurl-7.84.0-3.fc38.x86_64 108/137 Installing : gnupg2-2.3.7-3.fc37.x86_64 109/137 Installing : gpgme-1.17.0-4.fc37.x86_64 110/137 Installing : librepo-1.14.4-1.fc38.x86_64 111/137 Installing : curl-7.84.0-3.fc38.x86_64 112/137 Installing : rpm-libs-4.18.0-0.beta1.4.fc37.x86_64 113/137 Running scriptlet: rpm-4.18.0-0.beta1.4.fc37.x86_64 114/137 Installing : rpm-4.18.0-0.beta1.4.fc37.x86_64 114/137 Installing : libmodulemd-2.14.0-4.fc37.x86_64 115/137 Installing : libsolv-0.7.22-3.fc37.x86_64 116/137 Installing : libdnf-0.68.0-1.fc38.x86_64 117/137 Installing : rpm-build-libs-4.18.0-0.beta1.4.fc37.x86_64 118/137 Running scriptlet: tpm2-tss-3.2.0-3.fc37.x86_64 119/137 Installing : tpm2-tss-3.2.0-3.fc37.x86_64 119/137 Installing : ima-evm-utils-1.4-6.fc37.x86_64 120/137 Installing : rpm-sign-libs-4.18.0-0.beta1.4.fc37.x86_64 121/137 Installing : python-setuptools-wheel-65.3.0-1.fc38.noarch 122/137 Installing : python3-3.11.0~rc1-2.fc38.x86_64 123/137 Installing : python3-libs-3.11.0~rc1-2.fc38.x86_64 124/137 Installing : python3-libdnf-0.68.0-1.fc38.x86_64 125/137 Installing : python3-hawkey-0.68.0-1.fc38.x86_64 126/137 Installing : python3-dbus-1.2.18-5.fc37.x86_64 127/137 Installing : python3-libcomps-0.1.18-4.fc37.x86_64 128/137 Installing : python3-distro-1.7.0-3.fc37.noarch 129/137 Installing : python3-gpg-1.17.0-4.fc37.x86_64 130/137 Installing : python3-rpm-4.18.0-0.beta1.4.fc37.x86_64 131/137 Installing : python3-dnf-4.13.0-3.fc37.noarch 132/137 Installing : python3-six-1.16.0-8.fc37.noarch 133/137 Installing : python3-dateutil-1:2.8.2-4.fc37.noarch 134/137 Installing : python3-dnf-plugins-core-4.2.1-3.fc37.noarch 135/137 Installing : dnf-plugins-core-4.2.1-3.fc37.noarch 136/137 Installing : dnf-4.13.0-3.fc37.noarch 137/137 Running scriptlet: dnf-4.13.0-3.fc37.noarch 137/137 Running scriptlet: filesystem-3.18-2.fc37.x86_64 137/137 Running scriptlet: ca-certificates-2022.2.54-5.fc37.noarch 137/137 Running scriptlet: rpm-4.18.0-0.beta1.4.fc37.x86_64 137/137 Running scriptlet: dnf-4.13.0-3.fc37.noarch 137/137 Verifying : file-libs-5.42-4.fc38.x86_64 1/137 Verifying : libbrotli-1.0.9-9.fc38.x86_64 2/137 Verifying : python-setuptools-wheel-65.3.0-1.fc38.noarch 3/137 Verifying : alternatives-1.19-3.fc37.x86_64 4/137 Verifying : audit-libs-3.0.9-1.fc38.x86_64 5/137 Verifying : basesystem-11-14.fc37.noarch 6/137 Verifying : bash-5.1.16-3.fc37.x86_64 7/137 Verifying : bzip2-libs-1.0.8-12.fc37.x86_64 8/137 Verifying : ca-certificates-2022.2.54-5.fc37.noarch 9/137 Verifying : coreutils-9.1-7.fc38.x86_64 10/137 Verifying : coreutils-common-9.1-7.fc38.x86_64 11/137 Verifying : crypto-policies-20220824-2.git2187e9c.fc38.noarc 12/137 Verifying : curl-7.84.0-3.fc38.x86_64 13/137 Verifying : cyrus-sasl-lib-2.1.28-8.fc38.x86_64 14/137 Verifying : dbus-libs-1:1.14.0-5.fc38.x86_64 15/137 Verifying : dnf-4.13.0-3.fc37.noarch 16/137 Verifying : dnf-data-4.13.0-3.fc37.noarch 17/137 Verifying : dnf-plugins-core-4.2.1-3.fc37.noarch 18/137 Verifying : elfutils-default-yama-scope-0.187-8.fc38.noarch 19/137 Verifying : elfutils-libelf-0.187-8.fc38.x86_64 20/137 Verifying : elfutils-libs-0.187-8.fc38.x86_64 21/137 Verifying : expat-2.4.8-2.fc37.x86_64 22/137 Verifying : fedora-gpg-keys-38-0.3.noarch 23/137 Verifying : fedora-release-38-0.3.noarch 24/137 Verifying : fedora-release-common-38-0.3.noarch 25/137 Verifying : fedora-release-identity-basic-38-0.3.noarch 26/137 Verifying : fedora-repos-38-0.3.noarch 27/137 Verifying : fedora-repos-rawhide-38-0.3.noarch 28/137 Verifying : filesystem-3.18-2.fc37.x86_64 29/137 Verifying : findutils-1:4.9.0-2.fc37.x86_64 30/137 Verifying : gawk-5.1.1-4.fc37.x86_64 31/137 Verifying : gdbm-libs-1:1.23-2.fc37.x86_64 32/137 Verifying : glib2-2.73.3-2.fc38.x86_64 33/137 Verifying : glibc-2.36.9000-2.fc38.x86_64 34/137 Verifying : glibc-common-2.36.9000-2.fc38.x86_64 35/137 Verifying : glibc-minimal-langpack-2.36.9000-2.fc38.x86_64 36/137 Verifying : gmp-1:6.2.1-3.fc37.x86_64 37/137 Verifying : gnupg2-2.3.7-3.fc37.x86_64 38/137 Verifying : gnutls-3.7.7-1.fc37.x86_64 39/137 Verifying : gpgme-1.17.0-4.fc37.x86_64 40/137 Verifying : grep-3.7-4.fc37.x86_64 41/137 Verifying : ima-evm-utils-1.4-6.fc37.x86_64 42/137 Verifying : json-c-0.16-2.fc37.x86_64 43/137 Verifying : keyutils-libs-1.6.1-5.fc37.x86_64 44/137 Verifying : krb5-libs-1.19.2-11.fc37.1.x86_64 45/137 Verifying : libacl-2.3.1-4.fc37.x86_64 46/137 Verifying : libarchive-3.6.1-2.fc37.x86_64 47/137 Verifying : libassuan-2.5.5-5.fc37.x86_64 48/137 Verifying : libattr-2.5.1-5.fc37.x86_64 49/137 Verifying : libb2-0.98.1-7.fc37.x86_64 50/137 Verifying : libblkid-2.38.1-2.fc38.x86_64 51/137 Verifying : libcap-2.48-5.fc37.x86_64 52/137 Verifying : libcap-ng-0.8.3-3.fc37.x86_64 53/137 Verifying : libcom_err-1.46.5-3.fc37.x86_64 54/137 Verifying : libcomps-0.1.18-4.fc37.x86_64 55/137 Verifying : libcurl-7.84.0-3.fc38.x86_64 56/137 Verifying : libdnf-0.68.0-1.fc38.x86_64 57/137 Verifying : libevent-2.1.12-7.fc37.x86_64 58/137 Verifying : libffi-3.4.2-9.fc37.x86_64 59/137 Verifying : libfsverity-1.4-8.fc37.x86_64 60/137 Verifying : libgcc-12.2.1-1.fc38.x86_64 61/137 Verifying : libgcrypt-1.10.1-4.fc37.x86_64 62/137 Verifying : libgomp-12.2.1-1.fc38.x86_64 63/137 Verifying : libgpg-error-1.45-2.fc37.x86_64 64/137 Verifying : libidn2-2.3.3-2.fc37.x86_64 65/137 Verifying : libksba-1.6.0-4.fc37.x86_64 66/137 Verifying : libmodulemd-2.14.0-4.fc37.x86_64 67/137 Verifying : libmount-2.38.1-2.fc38.x86_64 68/137 Verifying : libnghttp2-1.49.0-1.fc38.x86_64 69/137 Verifying : libnsl2-2.0.0-4.fc37.x86_64 70/137 Verifying : libpsl-0.21.1-6.fc37.x86_64 71/137 Verifying : librepo-1.14.4-1.fc38.x86_64 72/137 Verifying : libreport-filesystem-2.17.2-1.fc38.noarch 73/137 Verifying : libselinux-3.4-5.fc37.x86_64 74/137 Verifying : libsemanage-3.4-5.fc37.x86_64 75/137 Verifying : libsepol-3.4-3.fc37.x86_64 76/137 Verifying : libsigsegv-2.14-3.fc37.x86_64 77/137 Verifying : libsmartcols-2.38.1-2.fc38.x86_64 78/137 Verifying : libsolv-0.7.22-3.fc37.x86_64 79/137 Verifying : libssh-0.9.6-5.fc37.x86_64 80/137 Verifying : libssh-config-0.9.6-5.fc37.noarch 81/137 Verifying : libstdc++-12.2.1-1.fc38.x86_64 82/137 Verifying : libtasn1-4.18.0-3.fc37.x86_64 83/137 Verifying : libtirpc-1.3.3-0.fc37.x86_64 84/137 Verifying : libunistring-1.0-2.fc37.x86_64 85/137 Verifying : libuuid-2.38.1-2.fc38.x86_64 86/137 Verifying : libverto-0.3.2-4.fc37.x86_64 87/137 Verifying : libxcrypt-4.4.28-3.fc38.x86_64 88/137 Verifying : libxml2-2.9.14-3.fc37.x86_64 89/137 Verifying : libyaml-0.2.5-8.fc37.x86_64 90/137 Verifying : libzstd-1.5.2-3.fc37.x86_64 91/137 Verifying : lua-libs-5.4.4-4.fc37.x86_64 92/137 Verifying : lz4-libs-1.9.3-5.fc37.x86_64 93/137 Verifying : mpdecimal-2.5.1-4.fc37.x86_64 94/137 Verifying : mpfr-4.1.0-10.fc37.x86_64 95/137 Verifying : ncurses-base-6.3-3.20220501.fc37.noarch 96/137 Verifying : ncurses-libs-6.3-3.20220501.fc37.x86_64 97/137 Verifying : nettle-3.8-2.fc37.x86_64 98/137 Verifying : npth-1.6-9.fc37.x86_64 99/137 Verifying : openldap-2.6.3-1.fc38.x86_64 100/137 Verifying : openssl-libs-1:3.0.5-2.fc37.x86_64 101/137 Verifying : p11-kit-0.24.1-3.fc37.x86_64 102/137 Verifying : p11-kit-trust-0.24.1-3.fc37.x86_64 103/137 Verifying : pcre-8.45-1.fc37.2.x86_64 104/137 Verifying : pcre2-10.40-1.fc37.1.x86_64 105/137 Verifying : pcre2-syntax-10.40-1.fc37.1.noarch 106/137 Verifying : popt-1.19~rc1-4.fc38.x86_64 107/137 Verifying : publicsuffix-list-dafsa-20210518-5.fc37.noarch 108/137 Verifying : python-pip-wheel-22.2-1.fc37.noarch 109/137 Verifying : python3-3.11.0~rc1-2.fc38.x86_64 110/137 Verifying : python3-dateutil-1:2.8.2-4.fc37.noarch 111/137 Verifying : python3-dbus-1.2.18-5.fc37.x86_64 112/137 Verifying : python3-distro-1.7.0-3.fc37.noarch 113/137 Verifying : python3-dnf-4.13.0-3.fc37.noarch 114/137 Verifying : python3-dnf-plugins-core-4.2.1-3.fc37.noarch 115/137 Verifying : python3-gpg-1.17.0-4.fc37.x86_64 116/137 Verifying : python3-hawkey-0.68.0-1.fc38.x86_64 117/137 Verifying : python3-libcomps-0.1.18-4.fc37.x86_64 118/137 Verifying : python3-libdnf-0.68.0-1.fc38.x86_64 119/137 Verifying : python3-libs-3.11.0~rc1-2.fc38.x86_64 120/137 Verifying : python3-rpm-4.18.0-0.beta1.4.fc37.x86_64 121/137 Verifying : python3-six-1.16.0-8.fc37.noarch 122/137 Verifying : readline-8.1-7.fc37.x86_64 123/137 Verifying : rpm-4.18.0-0.beta1.4.fc37.x86_64 124/137 Verifying : rpm-build-libs-4.18.0-0.beta1.4.fc37.x86_64 125/137 Verifying : rpm-libs-4.18.0-0.beta1.4.fc37.x86_64 126/137 Verifying : rpm-sign-libs-4.18.0-0.beta1.4.fc37.x86_64 127/137 Verifying : sed-4.8-11.fc37.x86_64 128/137 Verifying : setup-2.14.1-2.fc37.noarch 129/137 Verifying : shadow-utils-2:4.12.3-1.fc38.x86_64 130/137 Verifying : sqlite-libs-3.39.2-2.fc37.x86_64 131/137 Verifying : systemd-libs-251.4-53.fc38.x86_64 132/137 Verifying : tpm2-tss-3.2.0-3.fc37.x86_64 133/137 Verifying : tzdata-2022c-1.fc38.noarch 134/137 Verifying : xz-libs-5.2.5-10.fc37.x86_64 135/137 Verifying : zchunk-libs-1.2.2-2.fc37.x86_64 136/137 Verifying : zlib-1.2.12-5.fc38.x86_64 137/137 Installed products updated. Installed: alternatives-1.19-3.fc37.x86_64 audit-libs-3.0.9-1.fc38.x86_64 basesystem-11-14.fc37.noarch bash-5.1.16-3.fc37.x86_64 bzip2-libs-1.0.8-12.fc37.x86_64 ca-certificates-2022.2.54-5.fc37.noarch coreutils-9.1-7.fc38.x86_64 coreutils-common-9.1-7.fc38.x86_64 crypto-policies-20220824-2.git2187e9c.fc38.noarch curl-7.84.0-3.fc38.x86_64 cyrus-sasl-lib-2.1.28-8.fc38.x86_64 dbus-libs-1:1.14.0-5.fc38.x86_64 dnf-4.13.0-3.fc37.noarch dnf-data-4.13.0-3.fc37.noarch dnf-plugins-core-4.2.1-3.fc37.noarch elfutils-default-yama-scope-0.187-8.fc38.noarch elfutils-libelf-0.187-8.fc38.x86_64 elfutils-libs-0.187-8.fc38.x86_64 expat-2.4.8-2.fc37.x86_64 fedora-gpg-keys-38-0.3.noarch fedora-release-38-0.3.noarch fedora-release-common-38-0.3.noarch fedora-release-identity-basic-38-0.3.noarch fedora-repos-38-0.3.noarch fedora-repos-rawhide-38-0.3.noarch file-libs-5.42-4.fc38.x86_64 filesystem-3.18-2.fc37.x86_64 findutils-1:4.9.0-2.fc37.x86_64 gawk-5.1.1-4.fc37.x86_64 gdbm-libs-1:1.23-2.fc37.x86_64 glib2-2.73.3-2.fc38.x86_64 glibc-2.36.9000-2.fc38.x86_64 glibc-common-2.36.9000-2.fc38.x86_64 glibc-minimal-langpack-2.36.9000-2.fc38.x86_64 gmp-1:6.2.1-3.fc37.x86_64 gnupg2-2.3.7-3.fc37.x86_64 gnutls-3.7.7-1.fc37.x86_64 gpgme-1.17.0-4.fc37.x86_64 grep-3.7-4.fc37.x86_64 ima-evm-utils-1.4-6.fc37.x86_64 json-c-0.16-2.fc37.x86_64 keyutils-libs-1.6.1-5.fc37.x86_64 krb5-libs-1.19.2-11.fc37.1.x86_64 libacl-2.3.1-4.fc37.x86_64 libarchive-3.6.1-2.fc37.x86_64 libassuan-2.5.5-5.fc37.x86_64 libattr-2.5.1-5.fc37.x86_64 libb2-0.98.1-7.fc37.x86_64 libblkid-2.38.1-2.fc38.x86_64 libbrotli-1.0.9-9.fc38.x86_64 libcap-2.48-5.fc37.x86_64 libcap-ng-0.8.3-3.fc37.x86_64 libcom_err-1.46.5-3.fc37.x86_64 libcomps-0.1.18-4.fc37.x86_64 libcurl-7.84.0-3.fc38.x86_64 libdnf-0.68.0-1.fc38.x86_64 libevent-2.1.12-7.fc37.x86_64 libffi-3.4.2-9.fc37.x86_64 libfsverity-1.4-8.fc37.x86_64 libgcc-12.2.1-1.fc38.x86_64 libgcrypt-1.10.1-4.fc37.x86_64 libgomp-12.2.1-1.fc38.x86_64 libgpg-error-1.45-2.fc37.x86_64 libidn2-2.3.3-2.fc37.x86_64 libksba-1.6.0-4.fc37.x86_64 libmodulemd-2.14.0-4.fc37.x86_64 libmount-2.38.1-2.fc38.x86_64 libnghttp2-1.49.0-1.fc38.x86_64 libnsl2-2.0.0-4.fc37.x86_64 libpsl-0.21.1-6.fc37.x86_64 librepo-1.14.4-1.fc38.x86_64 libreport-filesystem-2.17.2-1.fc38.noarch libselinux-3.4-5.fc37.x86_64 libsemanage-3.4-5.fc37.x86_64 libsepol-3.4-3.fc37.x86_64 libsigsegv-2.14-3.fc37.x86_64 libsmartcols-2.38.1-2.fc38.x86_64 libsolv-0.7.22-3.fc37.x86_64 libssh-0.9.6-5.fc37.x86_64 libssh-config-0.9.6-5.fc37.noarch libstdc++-12.2.1-1.fc38.x86_64 libtasn1-4.18.0-3.fc37.x86_64 libtirpc-1.3.3-0.fc37.x86_64 libunistring-1.0-2.fc37.x86_64 libuuid-2.38.1-2.fc38.x86_64 libverto-0.3.2-4.fc37.x86_64 libxcrypt-4.4.28-3.fc38.x86_64 libxml2-2.9.14-3.fc37.x86_64 libyaml-0.2.5-8.fc37.x86_64 libzstd-1.5.2-3.fc37.x86_64 lua-libs-5.4.4-4.fc37.x86_64 lz4-libs-1.9.3-5.fc37.x86_64 mpdecimal-2.5.1-4.fc37.x86_64 mpfr-4.1.0-10.fc37.x86_64 ncurses-base-6.3-3.20220501.fc37.noarch ncurses-libs-6.3-3.20220501.fc37.x86_64 nettle-3.8-2.fc37.x86_64 npth-1.6-9.fc37.x86_64 openldap-2.6.3-1.fc38.x86_64 openssl-libs-1:3.0.5-2.fc37.x86_64 p11-kit-0.24.1-3.fc37.x86_64 p11-kit-trust-0.24.1-3.fc37.x86_64 pcre-8.45-1.fc37.2.x86_64 pcre2-10.40-1.fc37.1.x86_64 pcre2-syntax-10.40-1.fc37.1.noarch popt-1.19~rc1-4.fc38.x86_64 publicsuffix-list-dafsa-20210518-5.fc37.noarch python-pip-wheel-22.2-1.fc37.noarch python-setuptools-wheel-65.3.0-1.fc38.noarch python3-3.11.0~rc1-2.fc38.x86_64 python3-dateutil-1:2.8.2-4.fc37.noarch python3-dbus-1.2.18-5.fc37.x86_64 python3-distro-1.7.0-3.fc37.noarch python3-dnf-4.13.0-3.fc37.noarch python3-dnf-plugins-core-4.2.1-3.fc37.noarch python3-gpg-1.17.0-4.fc37.x86_64 python3-hawkey-0.68.0-1.fc38.x86_64 python3-libcomps-0.1.18-4.fc37.x86_64 python3-libdnf-0.68.0-1.fc38.x86_64 python3-libs-3.11.0~rc1-2.fc38.x86_64 python3-rpm-4.18.0-0.beta1.4.fc37.x86_64 python3-six-1.16.0-8.fc37.noarch readline-8.1-7.fc37.x86_64 rpm-4.18.0-0.beta1.4.fc37.x86_64 rpm-build-libs-4.18.0-0.beta1.4.fc37.x86_64 rpm-libs-4.18.0-0.beta1.4.fc37.x86_64 rpm-sign-libs-4.18.0-0.beta1.4.fc37.x86_64 sed-4.8-11.fc37.x86_64 setup-2.14.1-2.fc37.noarch shadow-utils-2:4.12.3-1.fc38.x86_64 sqlite-libs-3.39.2-2.fc37.x86_64 systemd-libs-251.4-53.fc38.x86_64 tpm2-tss-3.2.0-3.fc37.x86_64 tzdata-2022c-1.fc38.noarch xz-libs-5.2.5-10.fc37.x86_64 zchunk-libs-1.2.2-2.fc37.x86_64 zlib-1.2.12-5.fc38.x86_64 Complete! Finish(bootstrap): dnf install 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-rawhide-x86_64-1662042480.271716/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 Mock Version: 3.1 INFO: Mock Version: 3.1 Start: dnf install No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 64 kB/s | 3.0 kB 00:00 Copr repository 12 MB/s | 2.3 MB 00:00 fedora 171 kB/s | 15 kB 00:00 Dependencies resolved. ================================================================================ Package Arch Version Repo Size ================================================================================ Installing group/module packages: bash x86_64 5.1.16-3.fc37 fedora 1.7 M bzip2 x86_64 1.0.8-12.fc37 fedora 52 k coreutils x86_64 9.1-7.fc38 fedora 1.1 M cpio x86_64 2.13-13.fc37 fedora 277 k diffutils x86_64 3.8-3.fc37 fedora 378 k fedora-release-common noarch 38-0.3 fedora 22 k findutils x86_64 1:4.9.0-2.fc37 fedora 492 k gawk x86_64 5.1.1-4.fc37 fedora 1.0 M glibc-minimal-langpack x86_64 2.36.9000-4.fc38 fedora 13 k grep x86_64 3.7-4.fc37 fedora 273 k gzip x86_64 1.12-2.fc37 fedora 166 k info x86_64 6.8-4.fc37 fedora 225 k patch x86_64 2.7.6-17.fc37 fedora 124 k redhat-rpm-config noarch 230-1.fc38 fedora 81 k rpm-build x86_64 4.18.0-0.beta1.4.fc37 fedora 76 k sed x86_64 4.8-11.fc37 fedora 306 k shadow-utils x86_64 2:4.12.3-1.fc38 fedora 1.3 M tar x86_64 2:1.34-3.fc36 fedora 886 k unzip x86_64 6.0-58.fc37 fedora 182 k util-linux x86_64 2.38.1-2.fc38 fedora 2.3 M which x86_64 2.21-35.fc37 fedora 41 k xz x86_64 5.2.6-1.fc38 fedora 299 k Installing dependencies: alternatives x86_64 1.19-3.fc37 fedora 36 k ansible-srpm-macros noarch 1-7.fc38 fedora 7.7 k audit-libs x86_64 3.0.9-1.fc38 fedora 116 k authselect x86_64 1.4.0-3.fc37 fedora 144 k authselect-libs x86_64 1.4.0-3.fc37 fedora 248 k basesystem noarch 11-14.fc37 fedora 7.0 k binutils x86_64 2.39-2.fc38 fedora 5.4 M binutils-gold x86_64 2.39-2.fc38 fedora 778 k bzip2-libs x86_64 1.0.8-12.fc37 fedora 41 k ca-certificates noarch 2022.2.54-5.fc37 fedora 829 k coreutils-common x86_64 9.1-7.fc38 fedora 2.0 M cracklib x86_64 2.9.7-30.fc38 fedora 92 k crypto-policies noarch 20220824-2.git2187e9c.fc38 fedora 86 k curl x86_64 7.84.0-3.fc38 fedora 312 k cyrus-sasl-lib x86_64 2.1.28-8.fc38 fedora 792 k debugedit x86_64 5.0-5.fc37 fedora 77 k dwz x86_64 0.14-7.fc37 fedora 129 k ed x86_64 1.18-2.fc37 fedora 78 k efi-srpm-macros noarch 5-6.fc37 fedora 22 k elfutils x86_64 0.187-8.fc38 fedora 529 k elfutils-debuginfod-client x86_64 0.187-8.fc38 fedora 39 k elfutils-default-yama-scope noarch 0.187-8.fc38 fedora 16 k elfutils-libelf x86_64 0.187-8.fc38 fedora 197 k elfutils-libs x86_64 0.187-8.fc38 fedora 257 k fedora-gpg-keys noarch 38-0.3 fedora 125 k fedora-release noarch 38-0.3 fedora 11 k fedora-release-identity-basic noarch 38-0.3 fedora 12 k fedora-repos noarch 38-0.3 fedora 10 k fedora-repos-rawhide noarch 38-0.3 fedora 9.7 k file x86_64 5.42-4.fc38 copr_base 49 k file-libs x86_64 5.42-4.fc38 copr_base 676 k filesystem x86_64 3.18-2.fc37 fedora 1.1 M fonts-srpm-macros noarch 1:2.0.5-9.fc38 fedora 26 k fpc-srpm-macros noarch 1.3-6.fc37 fedora 7.7 k gdb-minimal x86_64 12.1-4.fc37 fedora 3.9 M gdbm-libs x86_64 1:1.23-2.fc37 fedora 56 k ghc-srpm-macros noarch 1.5.0-7.fc37 fedora 7.8 k glibc x86_64 2.36.9000-4.fc38 fedora 2.1 M glibc-common x86_64 2.36.9000-4.fc38 fedora 291 k glibc-gconv-extra x86_64 2.36.9000-4.fc38 fedora 1.6 M gmp x86_64 1:6.2.1-3.fc37 fedora 315 k gnat-srpm-macros noarch 4-16.fc37 fedora 8.3 k go-srpm-macros noarch 3.1.0-4.fc37 fedora 27 k jansson x86_64 2.13.1-5.fc37 fedora 44 k kernel-srpm-macros noarch 1.0-15.fc37 fedora 9.4 k keyutils-libs x86_64 1.6.1-5.fc37 fedora 31 k krb5-libs x86_64 1.19.2-11.fc37.1 fedora 727 k libacl x86_64 2.3.1-4.fc37 fedora 23 k libarchive x86_64 3.6.1-2.fc37 fedora 397 k libattr x86_64 2.5.1-5.fc37 fedora 18 k libblkid x86_64 2.38.1-2.fc38 fedora 107 k libbrotli x86_64 1.0.9-9.fc38 copr_base 316 k libcap x86_64 2.48-5.fc37 fedora 67 k libcap-ng x86_64 0.8.3-3.fc37 fedora 33 k libcom_err x86_64 1.46.5-3.fc37 fedora 25 k libcurl x86_64 7.84.0-3.fc38 fedora 306 k libdb x86_64 5.3.28-53.fc37 fedora 760 k libeconf x86_64 0.4.0-4.fc37 fedora 27 k libevent x86_64 2.1.12-7.fc37 fedora 261 k libfdisk x86_64 2.38.1-2.fc38 fedora 160 k libffi x86_64 3.4.2-9.fc37 fedora 37 k libgcc x86_64 12.2.1-1.fc38 fedora 106 k libgomp x86_64 12.2.1-1.fc38 fedora 293 k libidn2 x86_64 2.3.3-2.fc37 fedora 113 k libmount x86_64 2.38.1-2.fc38 fedora 135 k libnghttp2 x86_64 1.49.0-1.fc38 fedora 74 k libnsl2 x86_64 2.0.0-4.fc37 fedora 30 k libpkgconf x86_64 1.8.0-3.fc37 fedora 36 k libpsl x86_64 0.21.1-6.fc37 fedora 63 k libpwquality x86_64 1.4.4-11.fc37 fedora 116 k libselinux x86_64 3.4-5.fc37 fedora 86 k libsemanage x86_64 3.4-5.fc37 fedora 120 k libsepol x86_64 3.4-3.fc37 fedora 322 k libsigsegv x86_64 2.14-3.fc37 fedora 27 k libsmartcols x86_64 2.38.1-2.fc38 fedora 64 k libssh x86_64 0.9.6-5.fc37 fedora 203 k libssh-config noarch 0.9.6-5.fc37 fedora 7.8 k libstdc++ x86_64 12.2.1-1.fc38 fedora 799 k libtasn1 x86_64 4.18.0-3.fc37 fedora 75 k libtirpc x86_64 1.3.3-0.fc37 fedora 93 k libunistring x86_64 1.0-2.fc37 fedora 549 k libutempter x86_64 1.2.1-7.fc37 fedora 26 k libuuid x86_64 2.38.1-2.fc38 fedora 28 k libverto x86_64 0.3.2-4.fc37 fedora 21 k libxcrypt x86_64 4.4.28-3.fc38 fedora 117 k libxml2 x86_64 2.9.14-3.fc37 fedora 752 k libzstd x86_64 1.5.2-3.fc37 fedora 294 k lua-libs x86_64 5.4.4-4.fc37 fedora 217 k lua-srpm-macros noarch 1-7.fc37 fedora 8.8 k lz4-libs x86_64 1.9.3-5.fc37 fedora 70 k mpfr x86_64 4.1.0-10.fc37 fedora 331 k ncurses-base noarch 6.3-3.20220501.fc37 fedora 86 k ncurses-libs x86_64 6.3-3.20220501.fc37 fedora 329 k nim-srpm-macros noarch 3-7.fc37 fedora 8.4 k ocaml-srpm-macros noarch 7-2.fc37 fedora 13 k openblas-srpm-macros noarch 2-12.fc37 fedora 7.5 k openldap x86_64 2.6.3-1.fc38 fedora 254 k openssl-libs x86_64 1:3.0.5-2.fc37 fedora 2.1 M p11-kit x86_64 0.24.1-3.fc37 fedora 376 k p11-kit-trust x86_64 0.24.1-3.fc37 fedora 138 k package-notes-srpm-macros noarch 0.5-4.fc38 fedora 10 k pam x86_64 1.5.2-14.fc37 fedora 560 k pam-libs x86_64 1.5.2-14.fc37 fedora 58 k pcre x86_64 8.45-1.fc37.2 fedora 202 k pcre2 x86_64 10.40-1.fc37.1 fedora 236 k pcre2-syntax noarch 10.40-1.fc37.1 fedora 142 k perl-srpm-macros noarch 1-46.fc37 fedora 8.3 k pkgconf x86_64 1.8.0-3.fc37 fedora 41 k pkgconf-m4 noarch 1.8.0-3.fc37 fedora 14 k pkgconf-pkg-config x86_64 1.8.0-3.fc37 fedora 10 k popt x86_64 1.19~rc1-4.fc38 fedora 65 k publicsuffix-list-dafsa noarch 20210518-5.fc37 fedora 58 k python-srpm-macros noarch 3.11-4.fc37 fedora 25 k qt5-srpm-macros noarch 5.15.5-2.fc37 fedora 8.1 k readline x86_64 8.1-7.fc37 fedora 211 k rpm x86_64 4.18.0-0.beta1.4.fc37 fedora 570 k rpm-build-libs x86_64 4.18.0-0.beta1.4.fc37 fedora 93 k rpm-libs x86_64 4.18.0-0.beta1.4.fc37 fedora 319 k rpmautospec-rpm-macros noarch 0.3.0-1.fc37 fedora 8.8 k rust-srpm-macros noarch 22-1.fc37 fedora 9.5 k setup noarch 2.14.1-2.fc37 fedora 149 k sqlite-libs x86_64 3.39.2-2.fc37 fedora 657 k systemd-libs x86_64 251.4-53.fc38 fedora 620 k tzdata noarch 2022c-1.fc38 fedora 717 k util-linux-core x86_64 2.38.1-2.fc38 fedora 470 k xxhash-libs x86_64 0.8.1-3.fc37 fedora 41 k xz-libs x86_64 5.2.6-1.fc38 fedora 92 k zip x86_64 3.0-33.fc37 fedora 259 k zlib x86_64 1.2.12-5.fc38 fedora 94 k zstd x86_64 1.5.2-3.fc37 fedora 447 k Installing Groups: Buildsystem building group Transaction Summary ================================================================================ Install 152 Packages Total size: 51 M Installed size: 177 M Downloading Packages: [SKIPPED] file-5.42-4.fc38.x86_64.rpm: Already downloaded [SKIPPED] file-libs-5.42-4.fc38.x86_64.rpm: Already downloaded [SKIPPED] libbrotli-1.0.9-9.fc38.x86_64.rpm: Already downloaded [SKIPPED] alternatives-1.19-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] ansible-srpm-macros-1-7.fc38.noarch.rpm: Already downloaded [SKIPPED] audit-libs-3.0.9-1.fc38.x86_64.rpm: Already downloaded [SKIPPED] authselect-1.4.0-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] authselect-libs-1.4.0-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] basesystem-11-14.fc37.noarch.rpm: Already downloaded [SKIPPED] bash-5.1.16-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] binutils-2.39-2.fc38.x86_64.rpm: Already downloaded [SKIPPED] binutils-gold-2.39-2.fc38.x86_64.rpm: Already downloaded [SKIPPED] bzip2-1.0.8-12.fc37.x86_64.rpm: Already downloaded [SKIPPED] bzip2-libs-1.0.8-12.fc37.x86_64.rpm: Already downloaded [SKIPPED] ca-certificates-2022.2.54-5.fc37.noarch.rpm: Already downloaded [SKIPPED] coreutils-9.1-7.fc38.x86_64.rpm: Already downloaded [SKIPPED] coreutils-common-9.1-7.fc38.x86_64.rpm: Already downloaded [SKIPPED] cpio-2.13-13.fc37.x86_64.rpm: Already downloaded [SKIPPED] cracklib-2.9.7-30.fc38.x86_64.rpm: Already downloaded [SKIPPED] crypto-policies-20220824-2.git2187e9c.fc38.noarch.rpm: Already downloaded [SKIPPED] curl-7.84.0-3.fc38.x86_64.rpm: Already downloaded [SKIPPED] cyrus-sasl-lib-2.1.28-8.fc38.x86_64.rpm: Already downloaded [SKIPPED] debugedit-5.0-5.fc37.x86_64.rpm: Already downloaded [SKIPPED] diffutils-3.8-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] dwz-0.14-7.fc37.x86_64.rpm: Already downloaded [SKIPPED] ed-1.18-2.fc37.x86_64.rpm: Already downloaded [SKIPPED] efi-srpm-macros-5-6.fc37.noarch.rpm: Already downloaded [SKIPPED] elfutils-0.187-8.fc38.x86_64.rpm: Already downloaded [SKIPPED] elfutils-debuginfod-client-0.187-8.fc38.x86_64.rpm: Already downloaded [SKIPPED] elfutils-default-yama-scope-0.187-8.fc38.noarch.rpm: Already downloaded [SKIPPED] elfutils-libelf-0.187-8.fc38.x86_64.rpm: Already downloaded [SKIPPED] elfutils-libs-0.187-8.fc38.x86_64.rpm: Already downloaded [SKIPPED] fedora-gpg-keys-38-0.3.noarch.rpm: Already downloaded [SKIPPED] fedora-release-38-0.3.noarch.rpm: Already downloaded [SKIPPED] fedora-release-common-38-0.3.noarch.rpm: Already downloaded [SKIPPED] fedora-release-identity-basic-38-0.3.noarch.rpm: Already downloaded [SKIPPED] fedora-repos-38-0.3.noarch.rpm: Already downloaded [SKIPPED] fedora-repos-rawhide-38-0.3.noarch.rpm: Already downloaded [SKIPPED] filesystem-3.18-2.fc37.x86_64.rpm: Already downloaded [SKIPPED] findutils-4.9.0-2.fc37.x86_64.rpm: Already downloaded [SKIPPED] fonts-srpm-macros-2.0.5-9.fc38.noarch.rpm: Already downloaded [SKIPPED] fpc-srpm-macros-1.3-6.fc37.noarch.rpm: Already downloaded [SKIPPED] gawk-5.1.1-4.fc37.x86_64.rpm: Already downloaded [SKIPPED] gdb-minimal-12.1-4.fc37.x86_64.rpm: Already downloaded [SKIPPED] gdbm-libs-1.23-2.fc37.x86_64.rpm: Already downloaded [SKIPPED] ghc-srpm-macros-1.5.0-7.fc37.noarch.rpm: Already downloaded [SKIPPED] glibc-2.36.9000-4.fc38.x86_64.rpm: Already downloaded [SKIPPED] glibc-common-2.36.9000-4.fc38.x86_64.rpm: Already downloaded [SKIPPED] glibc-gconv-extra-2.36.9000-4.fc38.x86_64.rpm: Already downloaded [SKIPPED] glibc-minimal-langpack-2.36.9000-4.fc38.x86_64.rpm: Already downloaded [SKIPPED] gmp-6.2.1-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] gnat-srpm-macros-4-16.fc37.noarch.rpm: Already downloaded [SKIPPED] go-srpm-macros-3.1.0-4.fc37.noarch.rpm: Already downloaded [SKIPPED] grep-3.7-4.fc37.x86_64.rpm: Already downloaded [SKIPPED] gzip-1.12-2.fc37.x86_64.rpm: Already downloaded [SKIPPED] info-6.8-4.fc37.x86_64.rpm: Already downloaded [SKIPPED] jansson-2.13.1-5.fc37.x86_64.rpm: Already downloaded [SKIPPED] kernel-srpm-macros-1.0-15.fc37.noarch.rpm: Already downloaded [SKIPPED] keyutils-libs-1.6.1-5.fc37.x86_64.rpm: Already downloaded [SKIPPED] krb5-libs-1.19.2-11.fc37.1.x86_64.rpm: Already downloaded [SKIPPED] libacl-2.3.1-4.fc37.x86_64.rpm: Already downloaded [SKIPPED] libarchive-3.6.1-2.fc37.x86_64.rpm: Already downloaded [SKIPPED] libattr-2.5.1-5.fc37.x86_64.rpm: Already downloaded [SKIPPED] libblkid-2.38.1-2.fc38.x86_64.rpm: Already downloaded [SKIPPED] libcap-2.48-5.fc37.x86_64.rpm: Already downloaded [SKIPPED] libcap-ng-0.8.3-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] libcom_err-1.46.5-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] libcurl-7.84.0-3.fc38.x86_64.rpm: Already downloaded [SKIPPED] libdb-5.3.28-53.fc37.x86_64.rpm: Already downloaded [SKIPPED] libeconf-0.4.0-4.fc37.x86_64.rpm: Already downloaded [SKIPPED] libevent-2.1.12-7.fc37.x86_64.rpm: Already downloaded [SKIPPED] libfdisk-2.38.1-2.fc38.x86_64.rpm: Already downloaded [SKIPPED] libffi-3.4.2-9.fc37.x86_64.rpm: Already downloaded [SKIPPED] libgcc-12.2.1-1.fc38.x86_64.rpm: Already downloaded [SKIPPED] libgomp-12.2.1-1.fc38.x86_64.rpm: Already downloaded [SKIPPED] libidn2-2.3.3-2.fc37.x86_64.rpm: Already downloaded [SKIPPED] libmount-2.38.1-2.fc38.x86_64.rpm: Already downloaded [SKIPPED] libnghttp2-1.49.0-1.fc38.x86_64.rpm: Already downloaded [SKIPPED] libnsl2-2.0.0-4.fc37.x86_64.rpm: Already downloaded [SKIPPED] libpkgconf-1.8.0-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] libpsl-0.21.1-6.fc37.x86_64.rpm: Already downloaded [SKIPPED] libpwquality-1.4.4-11.fc37.x86_64.rpm: Already downloaded [SKIPPED] libselinux-3.4-5.fc37.x86_64.rpm: Already downloaded [SKIPPED] libsemanage-3.4-5.fc37.x86_64.rpm: Already downloaded [SKIPPED] libsepol-3.4-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] libsigsegv-2.14-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] libsmartcols-2.38.1-2.fc38.x86_64.rpm: Already downloaded [SKIPPED] libssh-0.9.6-5.fc37.x86_64.rpm: Already downloaded [SKIPPED] libssh-config-0.9.6-5.fc37.noarch.rpm: Already downloaded [SKIPPED] libstdc++-12.2.1-1.fc38.x86_64.rpm: Already downloaded [SKIPPED] libtasn1-4.18.0-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] libtirpc-1.3.3-0.fc37.x86_64.rpm: Already downloaded [SKIPPED] libunistring-1.0-2.fc37.x86_64.rpm: Already downloaded [SKIPPED] libutempter-1.2.1-7.fc37.x86_64.rpm: Already downloaded [SKIPPED] libuuid-2.38.1-2.fc38.x86_64.rpm: Already downloaded [SKIPPED] libverto-0.3.2-4.fc37.x86_64.rpm: Already downloaded [SKIPPED] libxcrypt-4.4.28-3.fc38.x86_64.rpm: Already downloaded [SKIPPED] libxml2-2.9.14-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] libzstd-1.5.2-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] lua-libs-5.4.4-4.fc37.x86_64.rpm: Already downloaded [SKIPPED] lua-srpm-macros-1-7.fc37.noarch.rpm: Already downloaded [SKIPPED] lz4-libs-1.9.3-5.fc37.x86_64.rpm: Already downloaded [SKIPPED] mpfr-4.1.0-10.fc37.x86_64.rpm: Already downloaded [SKIPPED] ncurses-base-6.3-3.20220501.fc37.noarch.rpm: Already downloaded [SKIPPED] ncurses-libs-6.3-3.20220501.fc37.x86_64.rpm: Already downloaded [SKIPPED] nim-srpm-macros-3-7.fc37.noarch.rpm: Already downloaded [SKIPPED] ocaml-srpm-macros-7-2.fc37.noarch.rpm: Already downloaded [SKIPPED] openblas-srpm-macros-2-12.fc37.noarch.rpm: Already downloaded [SKIPPED] openldap-2.6.3-1.fc38.x86_64.rpm: Already downloaded [SKIPPED] openssl-libs-3.0.5-2.fc37.x86_64.rpm: Already downloaded [SKIPPED] p11-kit-0.24.1-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] p11-kit-trust-0.24.1-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] package-notes-srpm-macros-0.5-4.fc38.noarch.rpm: Already downloaded [SKIPPED] pam-1.5.2-14.fc37.x86_64.rpm: Already downloaded [SKIPPED] pam-libs-1.5.2-14.fc37.x86_64.rpm: Already downloaded [SKIPPED] patch-2.7.6-17.fc37.x86_64.rpm: Already downloaded [SKIPPED] pcre-8.45-1.fc37.2.x86_64.rpm: Already downloaded [SKIPPED] pcre2-10.40-1.fc37.1.x86_64.rpm: Already downloaded [SKIPPED] pcre2-syntax-10.40-1.fc37.1.noarch.rpm: Already downloaded [SKIPPED] perl-srpm-macros-1-46.fc37.noarch.rpm: Already downloaded [SKIPPED] pkgconf-1.8.0-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] pkgconf-m4-1.8.0-3.fc37.noarch.rpm: Already downloaded [SKIPPED] pkgconf-pkg-config-1.8.0-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] popt-1.19~rc1-4.fc38.x86_64.rpm: Already downloaded [SKIPPED] publicsuffix-list-dafsa-20210518-5.fc37.noarch.rpm: Already downloaded [SKIPPED] python-srpm-macros-3.11-4.fc37.noarch.rpm: Already downloaded [SKIPPED] qt5-srpm-macros-5.15.5-2.fc37.noarch.rpm: Already downloaded [SKIPPED] readline-8.1-7.fc37.x86_64.rpm: Already downloaded [SKIPPED] redhat-rpm-config-230-1.fc38.noarch.rpm: Already downloaded [SKIPPED] rpm-4.18.0-0.beta1.4.fc37.x86_64.rpm: Already downloaded [SKIPPED] rpm-build-4.18.0-0.beta1.4.fc37.x86_64.rpm: Already downloaded [SKIPPED] rpm-build-libs-4.18.0-0.beta1.4.fc37.x86_64.rpm: Already downloaded [SKIPPED] rpm-libs-4.18.0-0.beta1.4.fc37.x86_64.rpm: Already downloaded [SKIPPED] rpmautospec-rpm-macros-0.3.0-1.fc37.noarch.rpm: Already downloaded [SKIPPED] rust-srpm-macros-22-1.fc37.noarch.rpm: Already downloaded [SKIPPED] sed-4.8-11.fc37.x86_64.rpm: Already downloaded [SKIPPED] setup-2.14.1-2.fc37.noarch.rpm: Already downloaded [SKIPPED] shadow-utils-4.12.3-1.fc38.x86_64.rpm: Already downloaded [SKIPPED] sqlite-libs-3.39.2-2.fc37.x86_64.rpm: Already downloaded [SKIPPED] systemd-libs-251.4-53.fc38.x86_64.rpm: Already downloaded [SKIPPED] tar-1.34-3.fc36.x86_64.rpm: Already downloaded [SKIPPED] tzdata-2022c-1.fc38.noarch.rpm: Already downloaded [SKIPPED] unzip-6.0-58.fc37.x86_64.rpm: Already downloaded [SKIPPED] util-linux-2.38.1-2.fc38.x86_64.rpm: Already downloaded [SKIPPED] util-linux-core-2.38.1-2.fc38.x86_64.rpm: Already downloaded [SKIPPED] which-2.21-35.fc37.x86_64.rpm: Already downloaded [SKIPPED] xxhash-libs-0.8.1-3.fc37.x86_64.rpm: Already downloaded [SKIPPED] xz-5.2.6-1.fc38.x86_64.rpm: Already downloaded [SKIPPED] xz-libs-5.2.6-1.fc38.x86_64.rpm: Already downloaded [SKIPPED] zip-3.0-33.fc37.x86_64.rpm: Already downloaded [SKIPPED] zlib-1.2.12-5.fc38.x86_64.rpm: Already downloaded [SKIPPED] zstd-1.5.2-3.fc37.x86_64.rpm: Already downloaded fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0xEB10B464: Userid : "Fedora (38) " Fingerprint: 6A51 BBAB BA3D 5467 B617 1221 809A 8D7C EB10 B464 From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-38-primary Key imported successfully fedora 1.6 MB/s | 1.6 kB 00:00 GPG key at file:///usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-38-primary (0xEB10B464) is already installed fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0x5323552A: Userid : "Fedora (37) " Fingerprint: ACB5 EE4E 831C 74BB 7C16 8D27 F55A D3FB 5323 552A From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-37-primary Key imported successfully Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Running scriptlet: filesystem-3.18-2.fc37.x86_64 1/1 Preparing : 1/1 Installing : libgcc-12.2.1-1.fc38.x86_64 1/152 Running scriptlet: libgcc-12.2.1-1.fc38.x86_64 1/152 Installing : crypto-policies-20220824-2.git2187e9c.fc38.noarc 2/152 Running scriptlet: crypto-policies-20220824-2.git2187e9c.fc38.noarc 2/152 Installing : fedora-release-identity-basic-38-0.3.noarch 3/152 Installing : tzdata-2022c-1.fc38.noarch 4/152 Installing : rust-srpm-macros-22-1.fc37.noarch 5/152 Installing : qt5-srpm-macros-5.15.5-2.fc37.noarch 6/152 Installing : publicsuffix-list-dafsa-20210518-5.fc37.noarch 7/152 Installing : pkgconf-m4-1.8.0-3.fc37.noarch 8/152 Installing : perl-srpm-macros-1-46.fc37.noarch 9/152 Installing : pcre2-syntax-10.40-1.fc37.1.noarch 10/152 Installing : package-notes-srpm-macros-0.5-4.fc38.noarch 11/152 Installing : openblas-srpm-macros-2-12.fc37.noarch 12/152 Installing : ocaml-srpm-macros-7-2.fc37.noarch 13/152 Installing : nim-srpm-macros-3-7.fc37.noarch 14/152 Installing : ncurses-base-6.3-3.20220501.fc37.noarch 15/152 Installing : libssh-config-0.9.6-5.fc37.noarch 16/152 Installing : kernel-srpm-macros-1.0-15.fc37.noarch 17/152 Installing : gnat-srpm-macros-4-16.fc37.noarch 18/152 Installing : ghc-srpm-macros-1.5.0-7.fc37.noarch 19/152 Installing : fpc-srpm-macros-1.3-6.fc37.noarch 20/152 Installing : fedora-gpg-keys-38-0.3.noarch 21/152 Installing : fedora-release-38-0.3.noarch 22/152 Installing : fedora-release-common-38-0.3.noarch 23/152 Installing : fedora-repos-rawhide-38-0.3.noarch 24/152 Installing : fedora-repos-38-0.3.noarch 25/152 Installing : setup-2.14.1-2.fc37.noarch 26/152 warning: /etc/hosts created as /etc/hosts.rpmnew Running scriptlet: setup-2.14.1-2.fc37.noarch 26/152 Installing : filesystem-3.18-2.fc37.x86_64 27/152 Installing : basesystem-11-14.fc37.noarch 28/152 Installing : glibc-gconv-extra-2.36.9000-4.fc38.x86_64 29/152 Running scriptlet: glibc-gconv-extra-2.36.9000-4.fc38.x86_64 29/152 Installing : glibc-minimal-langpack-2.36.9000-4.fc38.x86_64 30/152 Installing : glibc-common-2.36.9000-4.fc38.x86_64 31/152 Running scriptlet: glibc-2.36.9000-4.fc38.x86_64 32/152 Installing : glibc-2.36.9000-4.fc38.x86_64 32/152 Running scriptlet: glibc-2.36.9000-4.fc38.x86_64 32/152 Installing : ncurses-libs-6.3-3.20220501.fc37.x86_64 33/152 Installing : bash-5.1.16-3.fc37.x86_64 34/152 Running scriptlet: bash-5.1.16-3.fc37.x86_64 34/152 Installing : zlib-1.2.12-5.fc38.x86_64 35/152 Installing : xz-libs-5.2.6-1.fc38.x86_64 36/152 Installing : bzip2-libs-1.0.8-12.fc37.x86_64 37/152 Installing : elfutils-libelf-0.187-8.fc38.x86_64 38/152 Installing : libstdc++-12.2.1-1.fc38.x86_64 39/152 Installing : libuuid-2.38.1-2.fc38.x86_64 40/152 Installing : libzstd-1.5.2-3.fc37.x86_64 41/152 Installing : popt-1.19~rc1-4.fc38.x86_64 42/152 Installing : libblkid-2.38.1-2.fc38.x86_64 43/152 Installing : readline-8.1-7.fc37.x86_64 44/152 Installing : gmp-1:6.2.1-3.fc37.x86_64 45/152 Installing : libattr-2.5.1-5.fc37.x86_64 46/152 Installing : libacl-2.3.1-4.fc37.x86_64 47/152 Installing : libcap-2.48-5.fc37.x86_64 48/152 Installing : libxcrypt-4.4.28-3.fc38.x86_64 49/152 Installing : lz4-libs-1.9.3-5.fc37.x86_64 50/152 Installing : systemd-libs-251.4-53.fc38.x86_64 51/152 Installing : mpfr-4.1.0-10.fc37.x86_64 52/152 Installing : dwz-0.14-7.fc37.x86_64 53/152 Installing : unzip-6.0-58.fc37.x86_64 54/152 Installing : file-libs-5.42-4.fc38.x86_64 55/152 Installing : file-5.42-4.fc38.x86_64 56/152 Installing : sqlite-libs-3.39.2-2.fc37.x86_64 57/152 Installing : alternatives-1.19-3.fc37.x86_64 58/152 Installing : libcap-ng-0.8.3-3.fc37.x86_64 59/152 Installing : audit-libs-3.0.9-1.fc38.x86_64 60/152 Installing : libcom_err-1.46.5-3.fc37.x86_64 61/152 Installing : libeconf-0.4.0-4.fc37.x86_64 62/152 Installing : pam-libs-1.5.2-14.fc37.x86_64 63/152 Installing : libsepol-3.4-3.fc37.x86_64 64/152 Installing : libsmartcols-2.38.1-2.fc38.x86_64 65/152 Installing : libunistring-1.0-2.fc37.x86_64 66/152 Installing : libidn2-2.3.3-2.fc37.x86_64 67/152 Installing : lua-libs-5.4.4-4.fc37.x86_64 68/152 Installing : libpsl-0.21.1-6.fc37.x86_64 69/152 Installing : zip-3.0-33.fc37.x86_64 70/152 Installing : zstd-1.5.2-3.fc37.x86_64 71/152 Installing : libfdisk-2.38.1-2.fc38.x86_64 72/152 Installing : bzip2-1.0.8-12.fc37.x86_64 73/152 Installing : libxml2-2.9.14-3.fc37.x86_64 74/152 Installing : ed-1.18-2.fc37.x86_64 75/152 Installing : elfutils-default-yama-scope-0.187-8.fc38.noarch 76/152 Running scriptlet: elfutils-default-yama-scope-0.187-8.fc38.noarch 76/152 Installing : libbrotli-1.0.9-9.fc38.x86_64 77/152 Installing : cpio-2.13-13.fc37.x86_64 78/152 Installing : diffutils-3.8-3.fc37.x86_64 79/152 Installing : gdbm-libs-1:1.23-2.fc37.x86_64 80/152 Installing : cyrus-sasl-lib-2.1.28-8.fc38.x86_64 81/152 Installing : jansson-2.13.1-5.fc37.x86_64 82/152 Installing : keyutils-libs-1.6.1-5.fc37.x86_64 83/152 Installing : libdb-5.3.28-53.fc37.x86_64 84/152 Installing : libffi-3.4.2-9.fc37.x86_64 85/152 Installing : p11-kit-0.24.1-3.fc37.x86_64 86/152 Installing : libgomp-12.2.1-1.fc38.x86_64 87/152 Installing : libnghttp2-1.49.0-1.fc38.x86_64 88/152 Installing : libpkgconf-1.8.0-3.fc37.x86_64 89/152 Installing : pkgconf-1.8.0-3.fc37.x86_64 90/152 Installing : pkgconf-pkg-config-1.8.0-3.fc37.x86_64 91/152 Installing : libsigsegv-2.14-3.fc37.x86_64 92/152 Installing : gawk-5.1.1-4.fc37.x86_64 93/152 Installing : libtasn1-4.18.0-3.fc37.x86_64 94/152 Installing : p11-kit-trust-0.24.1-3.fc37.x86_64 95/152 Running scriptlet: p11-kit-trust-0.24.1-3.fc37.x86_64 95/152 Installing : libverto-0.3.2-4.fc37.x86_64 96/152 Installing : pcre-8.45-1.fc37.2.x86_64 97/152 Installing : grep-3.7-4.fc37.x86_64 98/152 Installing : xz-5.2.6-1.fc38.x86_64 99/152 Installing : pcre2-10.40-1.fc37.1.x86_64 100/152 Installing : libselinux-3.4-5.fc37.x86_64 101/152 Installing : sed-4.8-11.fc37.x86_64 102/152 Installing : findutils-1:4.9.0-2.fc37.x86_64 103/152 Installing : libmount-2.38.1-2.fc38.x86_64 104/152 Installing : util-linux-core-2.38.1-2.fc38.x86_64 105/152 Installing : libsemanage-3.4-5.fc37.x86_64 106/152 Installing : shadow-utils-2:4.12.3-1.fc38.x86_64 107/152 Running scriptlet: libutempter-1.2.1-7.fc37.x86_64 108/152 Installing : libutempter-1.2.1-7.fc37.x86_64 108/152 Installing : patch-2.7.6-17.fc37.x86_64 109/152 Installing : tar-2:1.34-3.fc36.x86_64 110/152 Installing : xxhash-libs-0.8.1-3.fc37.x86_64 111/152 Installing : coreutils-common-9.1-7.fc38.x86_64 112/152 Installing : openssl-libs-1:3.0.5-2.fc37.x86_64 113/152 Installing : coreutils-9.1-7.fc38.x86_64 114/152 Running scriptlet: ca-certificates-2022.2.54-5.fc37.noarch 115/152 Installing : ca-certificates-2022.2.54-5.fc37.noarch 115/152 Running scriptlet: ca-certificates-2022.2.54-5.fc37.noarch 115/152 Installing : krb5-libs-1.19.2-11.fc37.1.x86_64 116/152 Installing : libtirpc-1.3.3-0.fc37.x86_64 117/152 Running scriptlet: authselect-libs-1.4.0-3.fc37.x86_64 118/152 Installing : authselect-libs-1.4.0-3.fc37.x86_64 118/152 Installing : gzip-1.12-2.fc37.x86_64 119/152 Installing : cracklib-2.9.7-30.fc38.x86_64 120/152 Installing : libpwquality-1.4.4-11.fc37.x86_64 121/152 Installing : authselect-1.4.0-3.fc37.x86_64 122/152 Installing : libnsl2-2.0.0-4.fc37.x86_64 123/152 Installing : pam-1.5.2-14.fc37.x86_64 124/152 Installing : libssh-0.9.6-5.fc37.x86_64 125/152 Installing : libarchive-3.6.1-2.fc37.x86_64 126/152 Installing : libevent-2.1.12-7.fc37.x86_64 127/152 Installing : openldap-2.6.3-1.fc38.x86_64 128/152 Installing : libcurl-7.84.0-3.fc38.x86_64 129/152 Installing : elfutils-libs-0.187-8.fc38.x86_64 130/152 Installing : elfutils-debuginfod-client-0.187-8.fc38.x86_64 131/152 Installing : binutils-gold-2.39-2.fc38.x86_64 132/152 Installing : binutils-2.39-2.fc38.x86_64 133/152 Running scriptlet: binutils-2.39-2.fc38.x86_64 133/152 Installing : elfutils-0.187-8.fc38.x86_64 134/152 Installing : gdb-minimal-12.1-4.fc37.x86_64 135/152 Installing : debugedit-5.0-5.fc37.x86_64 136/152 Installing : curl-7.84.0-3.fc38.x86_64 137/152 Installing : rpm-libs-4.18.0-0.beta1.4.fc37.x86_64 138/152 Running scriptlet: rpm-4.18.0-0.beta1.4.fc37.x86_64 139/152 Installing : rpm-4.18.0-0.beta1.4.fc37.x86_64 139/152 Installing : efi-srpm-macros-5-6.fc37.noarch 140/152 Installing : lua-srpm-macros-1-7.fc37.noarch 141/152 Installing : rpmautospec-rpm-macros-0.3.0-1.fc37.noarch 142/152 Installing : rpm-build-libs-4.18.0-0.beta1.4.fc37.x86_64 143/152 Installing : ansible-srpm-macros-1-7.fc38.noarch 144/152 Installing : fonts-srpm-macros-1:2.0.5-9.fc38.noarch 145/152 Installing : go-srpm-macros-3.1.0-4.fc37.noarch 146/152 Installing : python-srpm-macros-3.11-4.fc37.noarch 147/152 Installing : redhat-rpm-config-230-1.fc38.noarch 148/152 Installing : rpm-build-4.18.0-0.beta1.4.fc37.x86_64 149/152 Installing : util-linux-2.38.1-2.fc38.x86_64 150/152 Installing : which-2.21-35.fc37.x86_64 151/152 Installing : info-6.8-4.fc37.x86_64 152/152 Running scriptlet: filesystem-3.18-2.fc37.x86_64 152/152 Running scriptlet: ca-certificates-2022.2.54-5.fc37.noarch 152/152 Running scriptlet: authselect-libs-1.4.0-3.fc37.x86_64 152/152 Running scriptlet: rpm-4.18.0-0.beta1.4.fc37.x86_64 152/152 Running scriptlet: info-6.8-4.fc37.x86_64 152/152 Verifying : file-5.42-4.fc38.x86_64 1/152 Verifying : file-libs-5.42-4.fc38.x86_64 2/152 Verifying : libbrotli-1.0.9-9.fc38.x86_64 3/152 Verifying : alternatives-1.19-3.fc37.x86_64 4/152 Verifying : ansible-srpm-macros-1-7.fc38.noarch 5/152 Verifying : audit-libs-3.0.9-1.fc38.x86_64 6/152 Verifying : authselect-1.4.0-3.fc37.x86_64 7/152 Verifying : authselect-libs-1.4.0-3.fc37.x86_64 8/152 Verifying : basesystem-11-14.fc37.noarch 9/152 Verifying : bash-5.1.16-3.fc37.x86_64 10/152 Verifying : binutils-2.39-2.fc38.x86_64 11/152 Verifying : binutils-gold-2.39-2.fc38.x86_64 12/152 Verifying : bzip2-1.0.8-12.fc37.x86_64 13/152 Verifying : bzip2-libs-1.0.8-12.fc37.x86_64 14/152 Verifying : ca-certificates-2022.2.54-5.fc37.noarch 15/152 Verifying : coreutils-9.1-7.fc38.x86_64 16/152 Verifying : coreutils-common-9.1-7.fc38.x86_64 17/152 Verifying : cpio-2.13-13.fc37.x86_64 18/152 Verifying : cracklib-2.9.7-30.fc38.x86_64 19/152 Verifying : crypto-policies-20220824-2.git2187e9c.fc38.noarc 20/152 Verifying : curl-7.84.0-3.fc38.x86_64 21/152 Verifying : cyrus-sasl-lib-2.1.28-8.fc38.x86_64 22/152 Verifying : debugedit-5.0-5.fc37.x86_64 23/152 Verifying : diffutils-3.8-3.fc37.x86_64 24/152 Verifying : dwz-0.14-7.fc37.x86_64 25/152 Verifying : ed-1.18-2.fc37.x86_64 26/152 Verifying : efi-srpm-macros-5-6.fc37.noarch 27/152 Verifying : elfutils-0.187-8.fc38.x86_64 28/152 Verifying : elfutils-debuginfod-client-0.187-8.fc38.x86_64 29/152 Verifying : elfutils-default-yama-scope-0.187-8.fc38.noarch 30/152 Verifying : elfutils-libelf-0.187-8.fc38.x86_64 31/152 Verifying : elfutils-libs-0.187-8.fc38.x86_64 32/152 Verifying : fedora-gpg-keys-38-0.3.noarch 33/152 Verifying : fedora-release-38-0.3.noarch 34/152 Verifying : fedora-release-common-38-0.3.noarch 35/152 Verifying : fedora-release-identity-basic-38-0.3.noarch 36/152 Verifying : fedora-repos-38-0.3.noarch 37/152 Verifying : fedora-repos-rawhide-38-0.3.noarch 38/152 Verifying : filesystem-3.18-2.fc37.x86_64 39/152 Verifying : findutils-1:4.9.0-2.fc37.x86_64 40/152 Verifying : fonts-srpm-macros-1:2.0.5-9.fc38.noarch 41/152 Verifying : fpc-srpm-macros-1.3-6.fc37.noarch 42/152 Verifying : gawk-5.1.1-4.fc37.x86_64 43/152 Verifying : gdb-minimal-12.1-4.fc37.x86_64 44/152 Verifying : gdbm-libs-1:1.23-2.fc37.x86_64 45/152 Verifying : ghc-srpm-macros-1.5.0-7.fc37.noarch 46/152 Verifying : glibc-2.36.9000-4.fc38.x86_64 47/152 Verifying : glibc-common-2.36.9000-4.fc38.x86_64 48/152 Verifying : glibc-gconv-extra-2.36.9000-4.fc38.x86_64 49/152 Verifying : glibc-minimal-langpack-2.36.9000-4.fc38.x86_64 50/152 Verifying : gmp-1:6.2.1-3.fc37.x86_64 51/152 Verifying : gnat-srpm-macros-4-16.fc37.noarch 52/152 Verifying : go-srpm-macros-3.1.0-4.fc37.noarch 53/152 Verifying : grep-3.7-4.fc37.x86_64 54/152 Verifying : gzip-1.12-2.fc37.x86_64 55/152 Verifying : info-6.8-4.fc37.x86_64 56/152 Verifying : jansson-2.13.1-5.fc37.x86_64 57/152 Verifying : kernel-srpm-macros-1.0-15.fc37.noarch 58/152 Verifying : keyutils-libs-1.6.1-5.fc37.x86_64 59/152 Verifying : krb5-libs-1.19.2-11.fc37.1.x86_64 60/152 Verifying : libacl-2.3.1-4.fc37.x86_64 61/152 Verifying : libarchive-3.6.1-2.fc37.x86_64 62/152 Verifying : libattr-2.5.1-5.fc37.x86_64 63/152 Verifying : libblkid-2.38.1-2.fc38.x86_64 64/152 Verifying : libcap-2.48-5.fc37.x86_64 65/152 Verifying : libcap-ng-0.8.3-3.fc37.x86_64 66/152 Verifying : libcom_err-1.46.5-3.fc37.x86_64 67/152 Verifying : libcurl-7.84.0-3.fc38.x86_64 68/152 Verifying : libdb-5.3.28-53.fc37.x86_64 69/152 Verifying : libeconf-0.4.0-4.fc37.x86_64 70/152 Verifying : libevent-2.1.12-7.fc37.x86_64 71/152 Verifying : libfdisk-2.38.1-2.fc38.x86_64 72/152 Verifying : libffi-3.4.2-9.fc37.x86_64 73/152 Verifying : libgcc-12.2.1-1.fc38.x86_64 74/152 Verifying : libgomp-12.2.1-1.fc38.x86_64 75/152 Verifying : libidn2-2.3.3-2.fc37.x86_64 76/152 Verifying : libmount-2.38.1-2.fc38.x86_64 77/152 Verifying : libnghttp2-1.49.0-1.fc38.x86_64 78/152 Verifying : libnsl2-2.0.0-4.fc37.x86_64 79/152 Verifying : libpkgconf-1.8.0-3.fc37.x86_64 80/152 Verifying : libpsl-0.21.1-6.fc37.x86_64 81/152 Verifying : libpwquality-1.4.4-11.fc37.x86_64 82/152 Verifying : libselinux-3.4-5.fc37.x86_64 83/152 Verifying : libsemanage-3.4-5.fc37.x86_64 84/152 Verifying : libsepol-3.4-3.fc37.x86_64 85/152 Verifying : libsigsegv-2.14-3.fc37.x86_64 86/152 Verifying : libsmartcols-2.38.1-2.fc38.x86_64 87/152 Verifying : libssh-0.9.6-5.fc37.x86_64 88/152 Verifying : libssh-config-0.9.6-5.fc37.noarch 89/152 Verifying : libstdc++-12.2.1-1.fc38.x86_64 90/152 Verifying : libtasn1-4.18.0-3.fc37.x86_64 91/152 Verifying : libtirpc-1.3.3-0.fc37.x86_64 92/152 Verifying : libunistring-1.0-2.fc37.x86_64 93/152 Verifying : libutempter-1.2.1-7.fc37.x86_64 94/152 Verifying : libuuid-2.38.1-2.fc38.x86_64 95/152 Verifying : libverto-0.3.2-4.fc37.x86_64 96/152 Verifying : libxcrypt-4.4.28-3.fc38.x86_64 97/152 Verifying : libxml2-2.9.14-3.fc37.x86_64 98/152 Verifying : libzstd-1.5.2-3.fc37.x86_64 99/152 Verifying : lua-libs-5.4.4-4.fc37.x86_64 100/152 Verifying : lua-srpm-macros-1-7.fc37.noarch 101/152 Verifying : lz4-libs-1.9.3-5.fc37.x86_64 102/152 Verifying : mpfr-4.1.0-10.fc37.x86_64 103/152 Verifying : ncurses-base-6.3-3.20220501.fc37.noarch 104/152 Verifying : ncurses-libs-6.3-3.20220501.fc37.x86_64 105/152 Verifying : nim-srpm-macros-3-7.fc37.noarch 106/152 Verifying : ocaml-srpm-macros-7-2.fc37.noarch 107/152 Verifying : openblas-srpm-macros-2-12.fc37.noarch 108/152 Verifying : openldap-2.6.3-1.fc38.x86_64 109/152 Verifying : openssl-libs-1:3.0.5-2.fc37.x86_64 110/152 Verifying : p11-kit-0.24.1-3.fc37.x86_64 111/152 Verifying : p11-kit-trust-0.24.1-3.fc37.x86_64 112/152 Verifying : package-notes-srpm-macros-0.5-4.fc38.noarch 113/152 Verifying : pam-1.5.2-14.fc37.x86_64 114/152 Verifying : pam-libs-1.5.2-14.fc37.x86_64 115/152 Verifying : patch-2.7.6-17.fc37.x86_64 116/152 Verifying : pcre-8.45-1.fc37.2.x86_64 117/152 Verifying : pcre2-10.40-1.fc37.1.x86_64 118/152 Verifying : pcre2-syntax-10.40-1.fc37.1.noarch 119/152 Verifying : perl-srpm-macros-1-46.fc37.noarch 120/152 Verifying : pkgconf-1.8.0-3.fc37.x86_64 121/152 Verifying : pkgconf-m4-1.8.0-3.fc37.noarch 122/152 Verifying : pkgconf-pkg-config-1.8.0-3.fc37.x86_64 123/152 Verifying : popt-1.19~rc1-4.fc38.x86_64 124/152 Verifying : publicsuffix-list-dafsa-20210518-5.fc37.noarch 125/152 Verifying : python-srpm-macros-3.11-4.fc37.noarch 126/152 Verifying : qt5-srpm-macros-5.15.5-2.fc37.noarch 127/152 Verifying : readline-8.1-7.fc37.x86_64 128/152 Verifying : redhat-rpm-config-230-1.fc38.noarch 129/152 Verifying : rpm-4.18.0-0.beta1.4.fc37.x86_64 130/152 Verifying : rpm-build-4.18.0-0.beta1.4.fc37.x86_64 131/152 Verifying : rpm-build-libs-4.18.0-0.beta1.4.fc37.x86_64 132/152 Verifying : rpm-libs-4.18.0-0.beta1.4.fc37.x86_64 133/152 Verifying : rpmautospec-rpm-macros-0.3.0-1.fc37.noarch 134/152 Verifying : rust-srpm-macros-22-1.fc37.noarch 135/152 Verifying : sed-4.8-11.fc37.x86_64 136/152 Verifying : setup-2.14.1-2.fc37.noarch 137/152 Verifying : shadow-utils-2:4.12.3-1.fc38.x86_64 138/152 Verifying : sqlite-libs-3.39.2-2.fc37.x86_64 139/152 Verifying : systemd-libs-251.4-53.fc38.x86_64 140/152 Verifying : tar-2:1.34-3.fc36.x86_64 141/152 Verifying : tzdata-2022c-1.fc38.noarch 142/152 Verifying : unzip-6.0-58.fc37.x86_64 143/152 Verifying : util-linux-2.38.1-2.fc38.x86_64 144/152 Verifying : util-linux-core-2.38.1-2.fc38.x86_64 145/152 Verifying : which-2.21-35.fc37.x86_64 146/152 Verifying : xxhash-libs-0.8.1-3.fc37.x86_64 147/152 Verifying : xz-5.2.6-1.fc38.x86_64 148/152 Verifying : xz-libs-5.2.6-1.fc38.x86_64 149/152 Verifying : zip-3.0-33.fc37.x86_64 150/152 Verifying : zlib-1.2.12-5.fc38.x86_64 151/152 Verifying : zstd-1.5.2-3.fc37.x86_64 152/152 Installed: alternatives-1.19-3.fc37.x86_64 ansible-srpm-macros-1-7.fc38.noarch audit-libs-3.0.9-1.fc38.x86_64 authselect-1.4.0-3.fc37.x86_64 authselect-libs-1.4.0-3.fc37.x86_64 basesystem-11-14.fc37.noarch bash-5.1.16-3.fc37.x86_64 binutils-2.39-2.fc38.x86_64 binutils-gold-2.39-2.fc38.x86_64 bzip2-1.0.8-12.fc37.x86_64 bzip2-libs-1.0.8-12.fc37.x86_64 ca-certificates-2022.2.54-5.fc37.noarch coreutils-9.1-7.fc38.x86_64 coreutils-common-9.1-7.fc38.x86_64 cpio-2.13-13.fc37.x86_64 cracklib-2.9.7-30.fc38.x86_64 crypto-policies-20220824-2.git2187e9c.fc38.noarch curl-7.84.0-3.fc38.x86_64 cyrus-sasl-lib-2.1.28-8.fc38.x86_64 debugedit-5.0-5.fc37.x86_64 diffutils-3.8-3.fc37.x86_64 dwz-0.14-7.fc37.x86_64 ed-1.18-2.fc37.x86_64 efi-srpm-macros-5-6.fc37.noarch elfutils-0.187-8.fc38.x86_64 elfutils-debuginfod-client-0.187-8.fc38.x86_64 elfutils-default-yama-scope-0.187-8.fc38.noarch elfutils-libelf-0.187-8.fc38.x86_64 elfutils-libs-0.187-8.fc38.x86_64 fedora-gpg-keys-38-0.3.noarch fedora-release-38-0.3.noarch fedora-release-common-38-0.3.noarch fedora-release-identity-basic-38-0.3.noarch fedora-repos-38-0.3.noarch fedora-repos-rawhide-38-0.3.noarch file-5.42-4.fc38.x86_64 file-libs-5.42-4.fc38.x86_64 filesystem-3.18-2.fc37.x86_64 findutils-1:4.9.0-2.fc37.x86_64 fonts-srpm-macros-1:2.0.5-9.fc38.noarch fpc-srpm-macros-1.3-6.fc37.noarch gawk-5.1.1-4.fc37.x86_64 gdb-minimal-12.1-4.fc37.x86_64 gdbm-libs-1:1.23-2.fc37.x86_64 ghc-srpm-macros-1.5.0-7.fc37.noarch glibc-2.36.9000-4.fc38.x86_64 glibc-common-2.36.9000-4.fc38.x86_64 glibc-gconv-extra-2.36.9000-4.fc38.x86_64 glibc-minimal-langpack-2.36.9000-4.fc38.x86_64 gmp-1:6.2.1-3.fc37.x86_64 gnat-srpm-macros-4-16.fc37.noarch go-srpm-macros-3.1.0-4.fc37.noarch grep-3.7-4.fc37.x86_64 gzip-1.12-2.fc37.x86_64 info-6.8-4.fc37.x86_64 jansson-2.13.1-5.fc37.x86_64 kernel-srpm-macros-1.0-15.fc37.noarch keyutils-libs-1.6.1-5.fc37.x86_64 krb5-libs-1.19.2-11.fc37.1.x86_64 libacl-2.3.1-4.fc37.x86_64 libarchive-3.6.1-2.fc37.x86_64 libattr-2.5.1-5.fc37.x86_64 libblkid-2.38.1-2.fc38.x86_64 libbrotli-1.0.9-9.fc38.x86_64 libcap-2.48-5.fc37.x86_64 libcap-ng-0.8.3-3.fc37.x86_64 libcom_err-1.46.5-3.fc37.x86_64 libcurl-7.84.0-3.fc38.x86_64 libdb-5.3.28-53.fc37.x86_64 libeconf-0.4.0-4.fc37.x86_64 libevent-2.1.12-7.fc37.x86_64 libfdisk-2.38.1-2.fc38.x86_64 libffi-3.4.2-9.fc37.x86_64 libgcc-12.2.1-1.fc38.x86_64 libgomp-12.2.1-1.fc38.x86_64 libidn2-2.3.3-2.fc37.x86_64 libmount-2.38.1-2.fc38.x86_64 libnghttp2-1.49.0-1.fc38.x86_64 libnsl2-2.0.0-4.fc37.x86_64 libpkgconf-1.8.0-3.fc37.x86_64 libpsl-0.21.1-6.fc37.x86_64 libpwquality-1.4.4-11.fc37.x86_64 libselinux-3.4-5.fc37.x86_64 libsemanage-3.4-5.fc37.x86_64 libsepol-3.4-3.fc37.x86_64 libsigsegv-2.14-3.fc37.x86_64 libsmartcols-2.38.1-2.fc38.x86_64 libssh-0.9.6-5.fc37.x86_64 libssh-config-0.9.6-5.fc37.noarch libstdc++-12.2.1-1.fc38.x86_64 libtasn1-4.18.0-3.fc37.x86_64 libtirpc-1.3.3-0.fc37.x86_64 libunistring-1.0-2.fc37.x86_64 libutempter-1.2.1-7.fc37.x86_64 libuuid-2.38.1-2.fc38.x86_64 libverto-0.3.2-4.fc37.x86_64 libxcrypt-4.4.28-3.fc38.x86_64 libxml2-2.9.14-3.fc37.x86_64 libzstd-1.5.2-3.fc37.x86_64 lua-libs-5.4.4-4.fc37.x86_64 lua-srpm-macros-1-7.fc37.noarch lz4-libs-1.9.3-5.fc37.x86_64 mpfr-4.1.0-10.fc37.x86_64 ncurses-base-6.3-3.20220501.fc37.noarch ncurses-libs-6.3-3.20220501.fc37.x86_64 nim-srpm-macros-3-7.fc37.noarch ocaml-srpm-macros-7-2.fc37.noarch openblas-srpm-macros-2-12.fc37.noarch openldap-2.6.3-1.fc38.x86_64 openssl-libs-1:3.0.5-2.fc37.x86_64 p11-kit-0.24.1-3.fc37.x86_64 p11-kit-trust-0.24.1-3.fc37.x86_64 package-notes-srpm-macros-0.5-4.fc38.noarch pam-1.5.2-14.fc37.x86_64 pam-libs-1.5.2-14.fc37.x86_64 patch-2.7.6-17.fc37.x86_64 pcre-8.45-1.fc37.2.x86_64 pcre2-10.40-1.fc37.1.x86_64 pcre2-syntax-10.40-1.fc37.1.noarch perl-srpm-macros-1-46.fc37.noarch pkgconf-1.8.0-3.fc37.x86_64 pkgconf-m4-1.8.0-3.fc37.noarch pkgconf-pkg-config-1.8.0-3.fc37.x86_64 popt-1.19~rc1-4.fc38.x86_64 publicsuffix-list-dafsa-20210518-5.fc37.noarch python-srpm-macros-3.11-4.fc37.noarch qt5-srpm-macros-5.15.5-2.fc37.noarch readline-8.1-7.fc37.x86_64 redhat-rpm-config-230-1.fc38.noarch rpm-4.18.0-0.beta1.4.fc37.x86_64 rpm-build-4.18.0-0.beta1.4.fc37.x86_64 rpm-build-libs-4.18.0-0.beta1.4.fc37.x86_64 rpm-libs-4.18.0-0.beta1.4.fc37.x86_64 rpmautospec-rpm-macros-0.3.0-1.fc37.noarch rust-srpm-macros-22-1.fc37.noarch sed-4.8-11.fc37.x86_64 setup-2.14.1-2.fc37.noarch shadow-utils-2:4.12.3-1.fc38.x86_64 sqlite-libs-3.39.2-2.fc37.x86_64 systemd-libs-251.4-53.fc38.x86_64 tar-2:1.34-3.fc36.x86_64 tzdata-2022c-1.fc38.noarch unzip-6.0-58.fc37.x86_64 util-linux-2.38.1-2.fc38.x86_64 util-linux-core-2.38.1-2.fc38.x86_64 which-2.21-35.fc37.x86_64 xxhash-libs-0.8.1-3.fc37.x86_64 xz-5.2.6-1.fc38.x86_64 xz-libs-5.2.6-1.fc38.x86_64 zip-3.0-33.fc37.x86_64 zlib-1.2.12-5.fc38.x86_64 zstd-1.5.2-3.fc37.x86_64 Complete! Finish: dnf install Start: creating root cache Finish: creating root cache Finish: chroot init INFO: Installed packages: INFO: zlib-1.2.12-5.fc38.x86_64 pcre-8.45-1.fc37.2.x86_64 xz-5.2.6-1.fc38.x86_64 libpwquality-1.4.4-11.fc37.x86_64 p11-kit-trust-0.24.1-3.fc37.x86_64 redhat-rpm-config-230-1.fc38.noarch fedora-repos-rawhide-38-0.3.noarch libffi-3.4.2-9.fc37.x86_64 kernel-srpm-macros-1.0-15.fc37.noarch rpm-build-libs-4.18.0-0.beta1.4.fc37.x86_64 gpg-pubkey-5323552a-6112bcdc gdbm-libs-1.23-2.fc37.x86_64 pkgconf-pkg-config-1.8.0-3.fc37.x86_64 glibc-minimal-langpack-2.36.9000-4.fc38.x86_64 crypto-policies-20220824-2.git2187e9c.fc38.noarch libsmartcols-2.38.1-2.fc38.x86_64 libfdisk-2.38.1-2.fc38.x86_64 gpg-pubkey-eb10b464-6202d9c6 libblkid-2.38.1-2.fc38.x86_64 gnat-srpm-macros-4-16.fc37.noarch mpfr-4.1.0-10.fc37.x86_64 lua-libs-5.4.4-4.fc37.x86_64 elfutils-default-yama-scope-0.187-8.fc38.noarch findutils-4.9.0-2.fc37.x86_64 tar-1.34-3.fc36.x86_64 ghc-srpm-macros-1.5.0-7.fc37.noarch rpm-4.18.0-0.beta1.4.fc37.x86_64 libcap-2.48-5.fc37.x86_64 which-2.21-35.fc37.x86_64 file-libs-5.42-4.fc38.x86_64 python-srpm-macros-3.11-4.fc37.noarch libcom_err-1.46.5-3.fc37.x86_64 elfutils-libelf-0.187-8.fc38.x86_64 sqlite-libs-3.39.2-2.fc37.x86_64 libnghttp2-1.49.0-1.fc38.x86_64 libattr-2.5.1-5.fc37.x86_64 debugedit-5.0-5.fc37.x86_64 ocaml-srpm-macros-7-2.fc37.noarch zip-3.0-33.fc37.x86_64 setup-2.14.1-2.fc37.noarch basesystem-11-14.fc37.noarch ed-1.18-2.fc37.x86_64 zstd-1.5.2-3.fc37.x86_64 coreutils-9.1-7.fc38.x86_64 readline-8.1-7.fc37.x86_64 libpkgconf-1.8.0-3.fc37.x86_64 rpmautospec-rpm-macros-0.3.0-1.fc37.noarch gawk-5.1.1-4.fc37.x86_64 glibc-gconv-extra-2.36.9000-4.fc38.x86_64 cyrus-sasl-lib-2.1.28-8.fc38.x86_64 libbrotli-1.0.9-9.fc38.x86_64 efi-srpm-macros-5-6.fc37.noarch libgcc-12.2.1-1.fc38.x86_64 fpc-srpm-macros-1.3-6.fc37.noarch bzip2-1.0.8-12.fc37.x86_64 libutempter-1.2.1-7.fc37.x86_64 libeconf-0.4.0-4.fc37.x86_64 pam-libs-1.5.2-14.fc37.x86_64 systemd-libs-251.4-53.fc38.x86_64 file-5.42-4.fc38.x86_64 libssh-0.9.6-5.fc37.x86_64 fedora-release-common-38-0.3.noarch rpm-build-4.18.0-0.beta1.4.fc37.x86_64 openblas-srpm-macros-2-12.fc37.noarch fedora-release-identity-basic-38-0.3.noarch libsemanage-3.4-5.fc37.x86_64 libverto-0.3.2-4.fc37.x86_64 fedora-gpg-keys-38-0.3.noarch libselinux-3.4-5.fc37.x86_64 lua-srpm-macros-1-7.fc37.noarch elfutils-0.187-8.fc38.x86_64 elfutils-libs-0.187-8.fc38.x86_64 ncurses-base-6.3-3.20220501.fc37.noarch libmount-2.38.1-2.fc38.x86_64 coreutils-common-9.1-7.fc38.x86_64 gzip-1.12-2.fc37.x86_64 libevent-2.1.12-7.fc37.x86_64 dwz-0.14-7.fc37.x86_64 fonts-srpm-macros-2.0.5-9.fc38.noarch nim-srpm-macros-3-7.fc37.noarch cpio-2.13-13.fc37.x86_64 util-linux-core-2.38.1-2.fc38.x86_64 xz-libs-5.2.6-1.fc38.x86_64 bash-5.1.16-3.fc37.x86_64 glibc-2.36.9000-4.fc38.x86_64 lz4-libs-1.9.3-5.fc37.x86_64 libnsl2-2.0.0-4.fc37.x86_64 ansible-srpm-macros-1-7.fc38.noarch p11-kit-0.24.1-3.fc37.x86_64 alternatives-1.19-3.fc37.x86_64 diffutils-3.8-3.fc37.x86_64 openssl-libs-3.0.5-2.fc37.x86_64 curl-7.84.0-3.fc38.x86_64 authselect-libs-1.4.0-3.fc37.x86_64 libacl-2.3.1-4.fc37.x86_64 ca-certificates-2022.2.54-5.fc37.noarch libsepol-3.4-3.fc37.x86_64 rust-srpm-macros-22-1.fc37.noarch pkgconf-m4-1.8.0-3.fc37.noarch sed-4.8-11.fc37.x86_64 rpm-libs-4.18.0-0.beta1.4.fc37.x86_64 info-6.8-4.fc37.x86_64 pcre2-10.40-1.fc37.1.x86_64 publicsuffix-list-dafsa-20210518-5.fc37.noarch filesystem-3.18-2.fc37.x86_64 libpsl-0.21.1-6.fc37.x86_64 libtirpc-1.3.3-0.fc37.x86_64 libcap-ng-0.8.3-3.fc37.x86_64 util-linux-2.38.1-2.fc38.x86_64 perl-srpm-macros-1-46.fc37.noarch krb5-libs-1.19.2-11.fc37.1.x86_64 shadow-utils-4.12.3-1.fc38.x86_64 tzdata-2022c-1.fc38.noarch patch-2.7.6-17.fc37.x86_64 elfutils-debuginfod-client-0.187-8.fc38.x86_64 libuuid-2.38.1-2.fc38.x86_64 libarchive-3.6.1-2.fc37.x86_64 unzip-6.0-58.fc37.x86_64 libtasn1-4.18.0-3.fc37.x86_64 libssh-config-0.9.6-5.fc37.noarch libzstd-1.5.2-3.fc37.x86_64 glibc-common-2.36.9000-4.fc38.x86_64 libidn2-2.3.3-2.fc37.x86_64 openldap-2.6.3-1.fc38.x86_64 libxml2-2.9.14-3.fc37.x86_64 libunistring-1.0-2.fc37.x86_64 keyutils-libs-1.6.1-5.fc37.x86_64 pkgconf-1.8.0-3.fc37.x86_64 libgomp-12.2.1-1.fc38.x86_64 libxcrypt-4.4.28-3.fc38.x86_64 libsigsegv-2.14-3.fc37.x86_64 binutils-2.39-2.fc38.x86_64 binutils-gold-2.39-2.fc38.x86_64 grep-3.7-4.fc37.x86_64 pam-1.5.2-14.fc37.x86_64 authselect-1.4.0-3.fc37.x86_64 gmp-6.2.1-3.fc37.x86_64 libcurl-7.84.0-3.fc38.x86_64 fedora-repos-38-0.3.noarch popt-1.19~rc1-4.fc38.x86_64 pcre2-syntax-10.40-1.fc37.1.noarch libstdc++-12.2.1-1.fc38.x86_64 gdb-minimal-12.1-4.fc37.x86_64 libdb-5.3.28-53.fc37.x86_64 cracklib-2.9.7-30.fc38.x86_64 package-notes-srpm-macros-0.5-4.fc38.noarch fedora-release-38-0.3.noarch ncurses-libs-6.3-3.20220501.fc37.x86_64 xxhash-libs-0.8.1-3.fc37.x86_64 jansson-2.13.1-5.fc37.x86_64 qt5-srpm-macros-5.15.5-2.fc37.noarch bzip2-libs-1.0.8-12.fc37.x86_64 go-srpm-macros-3.1.0-4.fc37.noarch audit-libs-3.0.9-1.fc38.x86_64 Start: buildsrpm Start: rpmbuild -bs Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1658448000 Wrote: /builddir/build/SRPMS/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.src.rpm Finish: rpmbuild -bs INFO: chroot_scan: 3 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-rawhide-x86_64-1662042480.271716/root/var/log/dnf.rpm.log /var/lib/mock/fedora-rawhide-x86_64-1662042480.271716/root/var/log/dnf.librepo.log /var/lib/mock/fedora-rawhide-x86_64-1662042480.271716/root/var/log/dnf.log Finish: buildsrpm INFO: Done(/var/lib/copr-rpmbuild/workspace/workdir-ufzfsutt/python-cclib/python-cclib.spec) Config(child) 2 minutes 9 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 (timeout=108000): unbuffer mock --rebuild /var/lib/copr-rpmbuild/results/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.src.rpm --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1662042480.271716 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 3.1 starting (python version = 3.10.4, NVR = mock-3.1-1.fc35)... 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/results/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.src.rpm) Config(fedora-rawhide-x86_64) Start: clean chroot Finish: clean chroot Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-x86_64-bootstrap-1662042480.271716/root. INFO: reusing tmpfs at /var/lib/mock/fedora-rawhide-x86_64-bootstrap-1662042480.271716/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: enabled HW Info plugin Mock Version: 3.1 INFO: Mock Version: 3.1 Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-x86_64-1662042480.271716/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 Mock Version: 3.1 INFO: Mock Version: 3.1 Start: dnf update No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 57 kB/s | 3.0 kB 00:00 Copr repository 15 MB/s | 2.3 MB 00:00 fedora 70 kB/s | 15 kB 00:00 Dependencies resolved. Nothing to do. Complete! Finish: dnf update Finish: chroot init Start: build phase for python-cclib-1.7.1-2.20220618git8e6892a5.fc38.src.rpm Start: build setup for python-cclib-1.7.1-2.20220618git8e6892a5.fc38.src.rpm Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1658448000 Wrote: /builddir/build/SRPMS/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.src.rpm No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 63 kB/s | 3.0 kB 00:00 Copr repository 12 MB/s | 2.3 MB 00:00 fedora 266 kB/s | 15 kB 00:00 Dependencies resolved. =============================================================================================== Package Arch Version Repo Size =============================================================================================== Installing: python3-biopython x86_64 1.79-4.fc38 copr_base 3.1 M python3-devel x86_64 3.11.0~rc1-2.fc38 fedora 268 k python3-numpy x86_64 1:1.22.0-7.fc38 copr_base 7.1 M python3-packaging noarch 21.3-7.fc38 fedora 98 k python3-periodictable noarch 1.6.1-3.fc37 fedora 604 k python3-scipy x86_64 1.8.1-6.fc37 fedora 20 M python3-setuptools noarch 65.3.0-1.fc38 copr_base 1.5 M python3-six noarch 1.16.0-8.fc37 fedora 42 k Installing dependencies: adobe-mappings-cmap noarch 20190730-4.fc37 fedora 2.1 M adobe-mappings-cmap-deprecated noarch 20190730-4.fc37 fedora 113 k adobe-mappings-pdf noarch 20190401-2.fc37 fedora 697 k avahi-libs x86_64 0.8-17.fc37 fedora 67 k cairo x86_64 1.17.6-2.fc37 fedora 676 k cairo-gobject x86_64 1.17.6-2.fc37 fedora 18 k crypto-policies-scripts noarch 20220824-2.git2187e9c.fc38 fedora 111 k cups-libs x86_64 1:2.4.2-4.fc38 fedora 267 k dbus-libs x86_64 1:1.14.0-5.fc38 fedora 156 k dejavu-sans-fonts noarch 2.37-19.fc37 fedora 1.3 M expat x86_64 2.4.8-2.fc37 fedora 110 k flex x86_64 2.6.4-11.fc37 fedora 313 k flexiblas x86_64 3.2.1-2.fc37 fedora 33 k flexiblas-netlib x86_64 3.2.1-2.fc37 fedora 3.1 M flexiblas-openblas-openmp x86_64 3.2.1-2.fc37 fedora 17 k fontconfig x86_64 2.14.0-2.fc37 fedora 288 k fonts-filesystem noarch 1:2.0.5-9.fc38 fedora 7.8 k freetype x86_64 2.12.1-3.fc37 fedora 407 k fribidi x86_64 1.0.12-2.fc37 fedora 89 k gd x86_64 2.3.3-6.fc37 fedora 137 k gdk-pixbuf2 x86_64 2.42.9-1.fc38 fedora 485 k glib2 x86_64 2.73.3-2.fc38 fedora 2.7 M gnutls x86_64 3.7.7-1.fc37 fedora 1.1 M google-droid-sans-fonts noarch 20200215-13.fc37 fedora 2.7 M google-noto-fonts-common noarch 20201206^1.git0c78c8329-3.fc38 fedora 17 k google-noto-sans-vf-fonts noarch 20201206^1.git0c78c8329-3.fc38 fedora 728 k graphite2 x86_64 1.3.14-10.fc37 fedora 95 k graphviz x86_64 5.0.1-1.fc38 fedora 5.0 M gts x86_64 0.7.6-42.20121130.fc37 fedora 241 k harfbuzz x86_64 5.1.0-2.fc37 fedora 820 k jbig2dec-libs x86_64 0.19-7.fc37 fedora 73 k jbigkit-libs x86_64 2.1-24.fc37 fedora 53 k langpacks-core-font-en noarch 3.0-26.fc37 fedora 10 k lasi x86_64 1.1.3-9.fc37 fedora 54 k lcms2 x86_64 2.13.1-2.fc37 fedora 175 k libX11 x86_64 1.8.1-2.fc38 fedora 648 k libX11-common noarch 1.8.1-2.fc38 fedora 182 k libXau x86_64 1.0.10-1.fc38 fedora 31 k libXext x86_64 1.3.4-9.fc37 fedora 39 k libXft x86_64 2.3.4-3.fc37 fedora 62 k libXpm x86_64 3.5.13-8.fc37 fedora 58 k libXrender x86_64 0.9.10-17.fc37 fedora 27 k libaom x86_64 3.4.0-3.fc37 fedora 1.7 M libart_lgpl x86_64 2.3.21-28.fc37 fedora 72 k libavif x86_64 0.10.1-3.fc37 fedora 81 k libb2 x86_64 0.98.1-7.fc37 fedora 25 k libdatrie x86_64 0.2.13-4.fc37 fedora 32 k libdav1d x86_64 1.0.0-2.fc37 fedora 584 k libfontenc x86_64 1.1.4-4.fc37 fedora 31 k libgfortran x86_64 12.2.1-1.fc38 fedora 898 k libgs x86_64 9.55.0-5.fc37 fedora 3.5 M libijs x86_64 0.35-16.fc37 fedora 29 k libimagequant x86_64 2.17.0-3.fc37 fedora 62 k libjpeg-turbo x86_64 2.1.4-1.fc38 fedora 181 k libpaper x86_64 1.1.28-5.fc37 fedora 46 k libpng x86_64 2:1.6.37-13.fc37 fedora 119 k libpq x86_64 14.3-2.fc37 fedora 199 k libquadmath x86_64 12.2.1-1.fc38 fedora 199 k libraqm x86_64 0.8.0-2.fc37 fedora 20 k librsvg2 x86_64 2.54.5-1.fc38 fedora 3.6 M libthai x86_64 0.1.29-3.fc37 fedora 213 k libtiff x86_64 4.4.0-4.fc37 fedora 197 k libtool-ltdl x86_64 2.4.7-2.fc37 fedora 37 k libvmaf x86_64 2.3.0-4.fc37 fedora 180 k libwebp x86_64 1.2.4-1.fc37 fedora 278 k libxcb x86_64 1.13.1-10.fc37 fedora 231 k m4 x86_64 1.4.19-4.fc37 fedora 303 k mariadb-connector-c x86_64 3.2.7-2.fc37 fedora 196 k mariadb-connector-c-config noarch 3.2.7-2.fc37 fedora 9.6 k mkfontscale x86_64 1.2.2-2.fc37 fedora 32 k mpdecimal x86_64 2.5.1-4.fc37 fedora 102 k mysql-connector-python3 noarch 8.0.21-7.fc38 copr_base 554 k netpbm x86_64 10.99.00-2.fc37 fedora 187 k nettle x86_64 3.8-2.fc37 fedora 414 k nspr x86_64 4.34.0-3.fc37 fedora 137 k nss x86_64 3.81.0-1.fc37 fedora 694 k nss-softokn x86_64 3.81.0-1.fc37 fedora 384 k nss-softokn-freebl x86_64 3.81.0-1.fc37 fedora 326 k nss-sysinit x86_64 3.81.0-1.fc37 fedora 20 k nss-util x86_64 3.81.0-1.fc37 fedora 87 k openblas x86_64 0.3.21-3.fc38 fedora 35 k openblas-openmp x86_64 0.3.21-3.fc38 fedora 5.1 M openjpeg2 x86_64 2.5.0-2.fc37 fedora 178 k pango x86_64 1.50.9-1.fc38 fedora 342 k pixman x86_64 0.40.0-6.fc37 fedora 277 k poppler x86_64 22.08.0-1.fc37 fedora 1.2 M poppler-data noarch 0.4.11-3.fc37 fedora 2.0 M poppler-glib x86_64 22.08.0-1.fc37 fedora 175 k pyproject-rpm-macros noarch 1.3.3-1.fc38 fedora 41 k python-pip-wheel noarch 22.2.2-1.fc38 fedora 1.4 M python-rpm-macros noarch 3.11-4.fc37 fedora 18 k python-setuptools-wheel noarch 65.3.0-1.fc38 copr_base 715 k python3 x86_64 3.11.0~rc1-2.fc38 fedora 27 k python3-isodate noarch 0.6.1-5.fc37 fedora 79 k python3-libs x86_64 3.11.0~rc1-2.fc38 fedora 9.6 M python3-mysql x86_64 1.4.6-11.fc37 fedora 117 k python3-networkx noarch 2.8.6-2.fc38 fedora 3.5 M python3-numpy-f2py x86_64 1:1.22.0-7.fc38 copr_base 384 k python3-olefile noarch 0.46-18.fc37 fedora 67 k python3-pillow x86_64 9.2.0-2.fc37 fedora 912 k python3-protobuf noarch 3.19.4-6.fc38 copr_base 290 k python3-psycopg2 x86_64 2.9.3-6.fc37 fedora 208 k python3-pygraphviz x86_64 1.10-1.fc38 fedora 160 k python3-pyparsing noarch 3.0.9-2.fc38 copr_base 255 k python3-rdflib noarch 6.2.0-1.fc38 fedora 965 k python3-reportlab x86_64 3.6.11-1.fc37 fedora 3.5 M python3-rpm-generators noarch 13-2.fc37 fedora 30 k python3-rpm-macros noarch 3.11-4.fc37 fedora 15 k rav1e-libs x86_64 0.5.1-5.fc37 fedora 910 k shared-mime-info x86_64 2.2-2.fc37 fedora 381 k svt-av1-libs x86_64 1.1.0-2.fc37 fedora 2.0 M urw-base35-bookman-fonts noarch 20200910-15.fc37 fedora 848 k urw-base35-c059-fonts noarch 20200910-15.fc37 fedora 875 k urw-base35-d050000l-fonts noarch 20200910-15.fc37 fedora 76 k urw-base35-fonts noarch 20200910-15.fc37 fedora 11 k urw-base35-fonts-common noarch 20200910-15.fc37 fedora 21 k urw-base35-gothic-fonts noarch 20200910-15.fc37 fedora 643 k urw-base35-nimbus-mono-ps-fonts noarch 20200910-15.fc37 fedora 796 k urw-base35-nimbus-roman-fonts noarch 20200910-15.fc37 fedora 857 k urw-base35-nimbus-sans-fonts noarch 20200910-15.fc37 fedora 1.3 M urw-base35-p052-fonts noarch 20200910-15.fc37 fedora 974 k urw-base35-standard-symbols-ps-fonts noarch 20200910-15.fc37 fedora 42 k urw-base35-z003-fonts noarch 20200910-15.fc37 fedora 276 k wise2 x86_64 2.4.1-15.fc37 fedora 974 k xml-common noarch 0.6.3-59.fc37 fedora 31 k xorg-x11-fonts-ISO8859-1-100dpi noarch 7.5-34.fc37 fedora 1.1 M Transaction Summary =============================================================================================== Install 134 Packages Total size: 117 M Total download size: 103 M Installed size: 489 M Downloading Packages: [SKIPPED] python-setuptools-wheel-65.3.0-1.fc38.noarch.rpm: Already downloaded [SKIPPED] python3-pyparsing-3.0.9-2.fc38.noarch.rpm: Already downloaded [SKIPPED] python3-setuptools-65.3.0-1.fc38.noarch.rpm: Already downloaded [SKIPPED] expat-2.4.8-2.fc37.x86_64.rpm: Already downloaded [SKIPPED] libb2-0.98.1-7.fc37.x86_64.rpm: Already downloaded [SKIPPED] libtool-ltdl-2.4.7-2.fc37.x86_64.rpm: Already downloaded [SKIPPED] mpdecimal-2.5.1-4.fc37.x86_64.rpm: Already downloaded [SKIPPED] pyproject-rpm-macros-1.3.3-1.fc38.noarch.rpm: Already downloaded [SKIPPED] python-pip-wheel-22.2.2-1.fc38.noarch.rpm: Already downloaded [SKIPPED] python-rpm-macros-3.11-4.fc37.noarch.rpm: Already downloaded [SKIPPED] python3-3.11.0~rc1-2.fc38.x86_64.rpm: Already downloaded [SKIPPED] python3-devel-3.11.0~rc1-2.fc38.x86_64.rpm: Already downloaded [SKIPPED] python3-libs-3.11.0~rc1-2.fc38.x86_64.rpm: Already downloaded [SKIPPED] python3-packaging-21.3-7.fc38.noarch.rpm: Already downloaded [SKIPPED] python3-rpm-generators-13-2.fc37.noarch.rpm: Already downloaded [SKIPPED] python3-rpm-macros-3.11-4.fc37.noarch.rpm: Already downloaded (17/134): mysql-connector-python3-8.0.21-7.fc38 4.5 MB/s | 554 kB 00:00 (18/134): python3-numpy-f2py-1.22.0-7.fc38.x86_ 26 MB/s | 384 kB 00:00 (19/134): python3-protobuf-3.19.4-6.fc38.noarch 12 MB/s | 290 kB 00:00 (20/134): python3-biopython-1.79-4.fc38.x86_64. 15 MB/s | 3.1 MB 00:00 (21/134): python3-numpy-1.22.0-7.fc38.x86_64.rp 21 MB/s | 7.1 MB 00:00 (22/134): adobe-mappings-cmap-deprecated-201907 623 kB/s | 113 kB 00:00 (23/134): avahi-libs-0.8-17.fc37.x86_64.rpm 1.7 MB/s | 67 kB 00:00 (24/134): cairo-1.17.6-2.fc37.x86_64.rpm 5.3 MB/s | 676 kB 00:00 (25/134): cairo-gobject-1.17.6-2.fc37.x86_64.rp 487 kB/s | 18 kB 00:00 (26/134): crypto-policies-scripts-20220824-2.gi 2.5 MB/s | 111 kB 00:00 (27/134): cups-libs-2.4.2-4.fc38.x86_64.rpm 6.3 MB/s | 267 kB 00:00 (28/134): adobe-mappings-cmap-20190730-4.fc37.n 4.0 MB/s | 2.1 MB 00:00 (29/134): adobe-mappings-pdf-20190401-2.fc37.no 2.0 MB/s | 697 kB 00:00 (30/134): dbus-libs-1.14.0-5.fc38.x86_64.rpm 4.1 MB/s | 156 kB 00:00 (31/134): flex-2.6.4-11.fc37.x86_64.rpm 6.6 MB/s | 313 kB 00:00 (32/134): flexiblas-3.2.1-2.fc37.x86_64.rpm 926 kB/s | 33 kB 00:00 (33/134): dejavu-sans-fonts-2.37-19.fc37.noarch 16 MB/s | 1.3 MB 00:00 (34/134): flexiblas-openblas-openmp-3.2.1-2.fc3 485 kB/s | 17 kB 00:00 (35/134): fontconfig-2.14.0-2.fc37.x86_64.rpm 7.0 MB/s | 288 kB 00:00 (36/134): fonts-filesystem-2.0.5-9.fc38.noarch. 223 kB/s | 7.8 kB 00:00 (37/134): freetype-2.12.1-3.fc37.x86_64.rpm 8.7 MB/s | 407 kB 00:00 (38/134): fribidi-1.0.12-2.fc37.x86_64.rpm 2.2 MB/s | 89 kB 00:00 (39/134): gd-2.3.3-6.fc37.x86_64.rpm 3.4 MB/s | 137 kB 00:00 (40/134): gdk-pixbuf2-2.42.9-1.fc38.x86_64.rpm 11 MB/s | 485 kB 00:00 (41/134): gnutls-3.7.7-1.fc37.x86_64.rpm 8.9 MB/s | 1.1 MB 00:00 (42/134): glib2-2.73.3-2.fc38.x86_64.rpm 18 MB/s | 2.7 MB 00:00 (43/134): google-noto-fonts-common-20201206^1.g 491 kB/s | 17 kB 00:00 (44/134): flexiblas-netlib-3.2.1-2.fc37.x86_64. 8.3 MB/s | 3.1 MB 00:00 (45/134): google-noto-sans-vf-fonts-20201206^1. 15 MB/s | 728 kB 00:00 (46/134): graphite2-1.3.14-10.fc37.x86_64.rpm 2.3 MB/s | 95 kB 00:00 (47/134): gts-0.7.6-42.20121130.fc37.x86_64.rpm 4.6 MB/s | 241 kB 00:00 (48/134): harfbuzz-5.1.0-2.fc37.x86_64.rpm 7.3 MB/s | 820 kB 00:00 (49/134): jbig2dec-libs-0.19-7.fc37.x86_64.rpm 2.0 MB/s | 73 kB 00:00 (50/134): jbigkit-libs-2.1-24.fc37.x86_64.rpm 1.4 MB/s | 53 kB 00:00 (51/134): google-droid-sans-fonts-20200215-13.f 6.7 MB/s | 2.7 MB 00:00 (52/134): langpacks-core-font-en-3.0-26.fc37.no 286 kB/s | 10 kB 00:00 (53/134): lasi-1.1.3-9.fc37.x86_64.rpm 1.5 MB/s | 54 kB 00:00 (54/134): lcms2-2.13.1-2.fc37.x86_64.rpm 4.5 MB/s | 175 kB 00:00 (55/134): graphviz-5.0.1-1.fc38.x86_64.rpm 14 MB/s | 5.0 MB 00:00 (56/134): libX11-common-1.8.1-2.fc38.noarch.rpm 4.7 MB/s | 182 kB 00:00 (57/134): libXau-1.0.10-1.fc38.x86_64.rpm 879 kB/s | 31 kB 00:00 (58/134): libXext-1.3.4-9.fc37.x86_64.rpm 1.1 MB/s | 39 kB 00:00 (59/134): libXft-2.3.4-3.fc37.x86_64.rpm 1.7 MB/s | 62 kB 00:00 (60/134): libXpm-3.5.13-8.fc37.x86_64.rpm 1.6 MB/s | 58 kB 00:00 (61/134): libXrender-0.9.10-17.fc37.x86_64.rpm 757 kB/s | 27 kB 00:00 (62/134): libX11-1.8.1-2.fc38.x86_64.rpm 4.5 MB/s | 648 kB 00:00 (63/134): libart_lgpl-2.3.21-28.fc37.x86_64.rpm 1.9 MB/s | 72 kB 00:00 (64/134): libavif-0.10.1-3.fc37.x86_64.rpm 2.2 MB/s | 81 kB 00:00 (65/134): libdatrie-0.2.13-4.fc37.x86_64.rpm 897 kB/s | 32 kB 00:00 (66/134): libfontenc-1.1.4-4.fc37.x86_64.rpm 868 kB/s | 31 kB 00:00 (67/134): libdav1d-1.0.0-2.fc37.x86_64.rpm 5.0 MB/s | 584 kB 00:00 (68/134): libgfortran-12.2.1-1.fc38.x86_64.rpm 11 MB/s | 898 kB 00:00 (69/134): libaom-3.4.0-3.fc37.x86_64.rpm 8.0 MB/s | 1.7 MB 00:00 (70/134): libijs-0.35-16.fc37.x86_64.rpm 800 kB/s | 29 kB 00:00 (71/134): libimagequant-2.17.0-3.fc37.x86_64.rp 1.4 MB/s | 62 kB 00:00 (72/134): libjpeg-turbo-2.1.4-1.fc38.x86_64.rpm 4.3 MB/s | 181 kB 00:00 (73/134): libpng-1.6.37-13.fc37.x86_64.rpm 3.1 MB/s | 119 kB 00:00 (74/134): libpaper-1.1.28-5.fc37.x86_64.rpm 579 kB/s | 46 kB 00:00 (75/134): libpq-14.3-2.fc37.x86_64.rpm 5.1 MB/s | 199 kB 00:00 (76/134): libquadmath-12.2.1-1.fc38.x86_64.rpm 3.8 MB/s | 199 kB 00:00 (77/134): libraqm-0.8.0-2.fc37.x86_64.rpm 542 kB/s | 20 kB 00:00 (78/134): libthai-0.1.29-3.fc37.x86_64.rpm 5.4 MB/s | 213 kB 00:00 (79/134): libtiff-4.4.0-4.fc37.x86_64.rpm 5.1 MB/s | 197 kB 00:00 (80/134): libvmaf-2.3.0-4.fc37.x86_64.rpm 4.7 MB/s | 180 kB 00:00 (81/134): libwebp-1.2.4-1.fc37.x86_64.rpm 6.8 MB/s | 278 kB 00:00 (82/134): libxcb-1.13.1-10.fc37.x86_64.rpm 5.7 MB/s | 231 kB 00:00 (83/134): m4-1.4.19-4.fc37.x86_64.rpm 7.3 MB/s | 303 kB 00:00 (84/134): mariadb-connector-c-3.2.7-2.fc37.x86_ 1.7 MB/s | 196 kB 00:00 (85/134): mariadb-connector-c-config-3.2.7-2.fc 267 kB/s | 9.6 kB 00:00 (86/134): mkfontscale-1.2.2-2.fc37.x86_64.rpm 897 kB/s | 32 kB 00:00 (87/134): libgs-9.55.0-5.fc37.x86_64.rpm 5.0 MB/s | 3.5 MB 00:00 (88/134): netpbm-10.99.00-2.fc37.x86_64.rpm 2.6 MB/s | 187 kB 00:00 (89/134): nspr-4.34.0-3.fc37.x86_64.rpm 3.5 MB/s | 137 kB 00:00 (90/134): nettle-3.8-2.fc37.x86_64.rpm 3.6 MB/s | 414 kB 00:00 (91/134): nss-softokn-3.81.0-1.fc37.x86_64.rpm 3.5 MB/s | 384 kB 00:00 (92/134): nss-3.81.0-1.fc37.x86_64.rpm 3.8 MB/s | 694 kB 00:00 (93/134): nss-sysinit-3.81.0-1.fc37.x86_64.rpm 557 kB/s | 20 kB 00:00 (94/134): librsvg2-2.54.5-1.fc38.x86_64.rpm 4.5 MB/s | 3.6 MB 00:00 (95/134): nss-softokn-freebl-3.81.0-1.fc37.x86_ 2.9 MB/s | 326 kB 00:00 (96/134): nss-util-3.81.0-1.fc37.x86_64.rpm 1.9 MB/s | 87 kB 00:00 (97/134): openblas-0.3.21-3.fc38.x86_64.rpm 989 kB/s | 35 kB 00:00 (98/134): openjpeg2-2.5.0-2.fc37.x86_64.rpm 2.4 MB/s | 178 kB 00:00 (99/134): pango-1.50.9-1.fc38.x86_64.rpm 3.0 MB/s | 342 kB 00:00 (100/134): pixman-0.40.0-6.fc37.x86_64.rpm 1.8 MB/s | 277 kB 00:00 (101/134): poppler-22.08.0-1.fc37.x86_64.rpm 2.7 MB/s | 1.2 MB 00:00 (102/134): poppler-glib-22.08.0-1.fc37.x86_64.r 1.6 MB/s | 175 kB 00:00 (103/134): python3-isodate-0.6.1-5.fc37.noarch. 2.1 MB/s | 79 kB 00:00 (104/134): python3-mysql-1.4.6-11.fc37.x86_64.r 1.0 MB/s | 117 kB 00:00 (105/134): poppler-data-0.4.11-3.fc37.noarch.rp 1.7 MB/s | 2.0 MB 00:01 (106/134): python3-olefile-0.46-18.fc37.noarch. 952 kB/s | 67 kB 00:00 (107/134): python3-periodictable-1.6.1-3.fc37.n 1.3 MB/s | 604 kB 00:00 (108/134): python3-pillow-9.2.0-2.fc37.x86_64.r 1.3 MB/s | 912 kB 00:00 (109/134): python3-psycopg2-2.9.3-6.fc37.x86_64 1.4 MB/s | 208 kB 00:00 (110/134): python3-pygraphviz-1.10-1.fc38.x86_6 1.5 MB/s | 160 kB 00:00 (111/134): python3-rdflib-6.2.0-1.fc38.noarch.r 1.7 MB/s | 965 kB 00:00 (112/134): python3-networkx-2.8.6-2.fc38.noarch 1.2 MB/s | 3.5 MB 00:02 (113/134): openblas-openmp-0.3.21-3.fc38.x86_64 1.2 MB/s | 5.1 MB 00:04 (114/134): python3-six-1.16.0-8.fc37.noarch.rpm 1.1 MB/s | 42 kB 00:00 (115/134): rav1e-libs-0.5.1-5.fc37.x86_64.rpm 888 kB/s | 910 kB 00:01 (116/134): shared-mime-info-2.2-2.fc37.x86_64.r 964 kB/s | 381 kB 00:00 (117/134): python3-reportlab-3.6.11-1.fc37.x86_ 1.0 MB/s | 3.5 MB 00:03 (118/134): urw-base35-bookman-fonts-20200910-15 772 kB/s | 848 kB 00:01 (119/134): svt-av1-libs-1.1.0-2.fc37.x86_64.rpm 776 kB/s | 2.0 MB 00:02 (120/134): urw-base35-d050000l-fonts-20200910-1 403 kB/s | 76 kB 00:00 (121/134): urw-base35-fonts-20200910-15.fc37.no 263 kB/s | 11 kB 00:00 (122/134): urw-base35-fonts-common-20200910-15. 607 kB/s | 21 kB 00:00 (123/134): urw-base35-c059-fonts-20200910-15.fc 1.0 MB/s | 875 kB 00:00 (124/134): urw-base35-gothic-fonts-20200910-15. 671 kB/s | 643 kB 00:00 (125/134): urw-base35-nimbus-mono-ps-fonts-2020 605 kB/s | 796 kB 00:01 (126/134): urw-base35-nimbus-roman-fonts-202009 627 kB/s | 857 kB 00:01 (127/134): urw-base35-nimbus-sans-fonts-2020091 517 kB/s | 1.3 MB 00:02 (128/134): urw-base35-standard-symbols-ps-fonts 595 kB/s | 42 kB 00:00 (129/134): urw-base35-p052-fonts-20200910-15.fc 497 kB/s | 974 kB 00:01 (130/134): urw-base35-z003-fonts-20200910-15.fc 644 kB/s | 276 kB 00:00 (131/134): xml-common-0.6.3-59.fc37.noarch.rpm 444 kB/s | 31 kB 00:00 (132/134): wise2-2.4.1-15.fc37.x86_64.rpm 796 kB/s | 974 kB 00:01 (133/134): xorg-x11-fonts-ISO8859-1-100dpi-7.5- 972 kB/s | 1.1 MB 00:01 (134/134): python3-scipy-1.8.1-6.fc37.x86_64.rp 949 kB/s | 20 MB 00:21 -------------------------------------------------------------------------------- Total 3.6 MB/s | 103 MB 00:28 Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Preparing : 1/1 Installing : libpng-2:1.6.37-13.fc37.x86_64 1/134 Installing : nspr-4.34.0-3.fc37.x86_64 2/134 Installing : libjpeg-turbo-2.1.4-1.fc38.x86_64 3/134 Installing : fonts-filesystem-1:2.0.5-9.fc38.noarch 4/134 Installing : urw-base35-fonts-common-20200910-15.fc37.noarch 5/134 Installing : nss-util-3.81.0-1.fc37.x86_64 6/134 Installing : libwebp-1.2.4-1.fc37.x86_64 7/134 Installing : python-rpm-macros-3.11-4.fc37.noarch 8/134 Installing : openjpeg2-2.5.0-2.fc37.x86_64 9/134 Installing : lcms2-2.13.1-2.fc37.x86_64 10/134 Installing : python3-rpm-macros-3.11-4.fc37.noarch 11/134 Installing : libquadmath-12.2.1-1.fc38.x86_64 12/134 Installing : libgfortran-12.2.1-1.fc38.x86_64 13/134 Installing : libimagequant-2.17.0-3.fc37.x86_64 14/134 Installing : fribidi-1.0.12-2.fc37.x86_64 15/134 Installing : flexiblas-3.2.1-2.fc37.x86_64 16/134 Installing : expat-2.4.8-2.fc37.x86_64 17/134 Installing : adobe-mappings-cmap-20190730-4.fc37.noarch 18/134 Installing : adobe-mappings-cmap-deprecated-20190730-4.fc37.n 19/134 Installing : pyproject-rpm-macros-1.3.3-1.fc38.noarch 20/134 Installing : nss-softokn-freebl-3.81.0-1.fc37.x86_64 21/134 Installing : nss-softokn-3.81.0-1.fc37.x86_64 22/134 Installing : urw-base35-bookman-fonts-20200910-15.fc37.noarch 23/134 Running scriptlet: urw-base35-bookman-fonts-20200910-15.fc37.noarch 23/134 Installing : urw-base35-c059-fonts-20200910-15.fc37.noarch 24/134 Running scriptlet: urw-base35-c059-fonts-20200910-15.fc37.noarch 24/134 Installing : urw-base35-d050000l-fonts-20200910-15.fc37.noarc 25/134 Running scriptlet: urw-base35-d050000l-fonts-20200910-15.fc37.noarc 25/134 Installing : urw-base35-gothic-fonts-20200910-15.fc37.noarch 26/134 Running scriptlet: urw-base35-gothic-fonts-20200910-15.fc37.noarch 26/134 Installing : urw-base35-nimbus-mono-ps-fonts-20200910-15.fc37 27/134 Running scriptlet: urw-base35-nimbus-mono-ps-fonts-20200910-15.fc37 27/134 Installing : urw-base35-nimbus-roman-fonts-20200910-15.fc37.n 28/134 Running scriptlet: urw-base35-nimbus-roman-fonts-20200910-15.fc37.n 28/134 Installing : urw-base35-nimbus-sans-fonts-20200910-15.fc37.no 29/134 Running scriptlet: urw-base35-nimbus-sans-fonts-20200910-15.fc37.no 29/134 Installing : urw-base35-p052-fonts-20200910-15.fc37.noarch 30/134 Running scriptlet: urw-base35-p052-fonts-20200910-15.fc37.noarch 30/134 Installing : urw-base35-standard-symbols-ps-fonts-20200910-15 31/134 Running scriptlet: urw-base35-standard-symbols-ps-fonts-20200910-15 31/134 Installing : urw-base35-z003-fonts-20200910-15.fc37.noarch 32/134 Running scriptlet: urw-base35-z003-fonts-20200910-15.fc37.noarch 32/134 Installing : urw-base35-fonts-20200910-15.fc37.noarch 33/134 Installing : dejavu-sans-fonts-2.37-19.fc37.noarch 34/134 Running scriptlet: xml-common-0.6.3-59.fc37.noarch 35/134 Installing : xml-common-0.6.3-59.fc37.noarch 35/134 Installing : svt-av1-libs-1.1.0-2.fc37.x86_64 36/134 Installing : rav1e-libs-0.5.1-5.fc37.x86_64 37/134 Installing : python-pip-wheel-22.2.2-1.fc38.noarch 38/134 Installing : poppler-data-0.4.11-3.fc37.noarch 39/134 Installing : pixman-0.40.0-6.fc37.x86_64 40/134 Installing : openblas-0.3.21-3.fc38.x86_64 41/134 Installing : openblas-openmp-0.3.21-3.fc38.x86_64 42/134 Installing : flexiblas-netlib-3.2.1-2.fc37.x86_64 43/134 Installing : flexiblas-openblas-openmp-3.2.1-2.fc37.x86_64 44/134 Installing : nettle-3.8-2.fc37.x86_64 45/134 Installing : gnutls-3.7.7-1.fc37.x86_64 46/134 Installing : glib2-2.73.3-2.fc38.x86_64 47/134 Installing : shared-mime-info-2.2-2.fc37.x86_64 48/134 Running scriptlet: shared-mime-info-2.2-2.fc37.x86_64 48/134 Installing : gdk-pixbuf2-2.42.9-1.fc38.x86_64 49/134 Installing : wise2-2.4.1-15.fc37.x86_64 50/134 Installing : netpbm-10.99.00-2.fc37.x86_64 51/134 Installing : gts-0.7.6-42.20121130.fc37.x86_64 52/134 Installing : mpdecimal-2.5.1-4.fc37.x86_64 53/134 Installing : mariadb-connector-c-config-3.2.7-2.fc37.noarch 54/134 Installing : mariadb-connector-c-3.2.7-2.fc37.x86_64 55/134 Installing : m4-1.4.19-4.fc37.x86_64 56/134 Installing : flex-2.6.4-11.fc37.x86_64 57/134 Installing : libvmaf-2.3.0-4.fc37.x86_64 58/134 Installing : libaom-3.4.0-3.fc37.x86_64 59/134 Installing : libtool-ltdl-2.4.7-2.fc37.x86_64 60/134 Installing : libpq-14.3-2.fc37.x86_64 61/134 Installing : libpaper-1.1.28-5.fc37.x86_64 62/134 Installing : libijs-0.35-16.fc37.x86_64 63/134 Installing : libfontenc-1.1.4-4.fc37.x86_64 64/134 Installing : libdav1d-1.0.0-2.fc37.x86_64 65/134 Installing : libavif-0.10.1-3.fc37.x86_64 66/134 Installing : libdatrie-0.2.13-4.fc37.x86_64 67/134 Installing : libthai-0.1.29-3.fc37.x86_64 68/134 Installing : libb2-0.98.1-7.fc37.x86_64 69/134 Installing : libart_lgpl-2.3.21-28.fc37.x86_64 70/134 Installing : libXau-1.0.10-1.fc38.x86_64 71/134 Installing : libxcb-1.13.1-10.fc37.x86_64 72/134 Installing : libX11-common-1.8.1-2.fc38.noarch 73/134 Installing : libX11-1.8.1-2.fc38.x86_64 74/134 Installing : libXrender-0.9.10-17.fc37.x86_64 75/134 Installing : libXext-1.3.4-9.fc37.x86_64 76/134 Installing : libXpm-3.5.13-8.fc37.x86_64 77/134 Installing : jbigkit-libs-2.1-24.fc37.x86_64 78/134 Installing : libtiff-4.4.0-4.fc37.x86_64 79/134 Installing : jbig2dec-libs-0.19-7.fc37.x86_64 80/134 Installing : graphite2-1.3.14-10.fc37.x86_64 81/134 Installing : harfbuzz-5.1.0-2.fc37.x86_64 82/134 Installing : freetype-2.12.1-3.fc37.x86_64 83/134 Installing : libraqm-0.8.0-2.fc37.x86_64 84/134 Installing : mkfontscale-1.2.2-2.fc37.x86_64 85/134 Installing : xorg-x11-fonts-ISO8859-1-100dpi-7.5-34.fc37.noar 86/134 Running scriptlet: xorg-x11-fonts-ISO8859-1-100dpi-7.5-34.fc37.noar 86/134 Installing : google-noto-fonts-common-20201206^1.git0c78c8329 87/134 Installing : google-noto-sans-vf-fonts-20201206^1.git0c78c832 88/134 Installing : google-droid-sans-fonts-20200215-13.fc37.noarch 89/134 Installing : langpacks-core-font-en-3.0-26.fc37.noarch 90/134 Installing : fontconfig-2.14.0-2.fc37.x86_64 91/134 Running scriptlet: fontconfig-2.14.0-2.fc37.x86_64 91/134 Installing : cairo-1.17.6-2.fc37.x86_64 92/134 Installing : cairo-gobject-1.17.6-2.fc37.x86_64 93/134 Installing : gd-2.3.3-6.fc37.x86_64 94/134 Installing : libXft-2.3.4-3.fc37.x86_64 95/134 Installing : pango-1.50.9-1.fc38.x86_64 96/134 Installing : lasi-1.1.3-9.fc37.x86_64 97/134 Installing : librsvg2-2.54.5-1.fc38.x86_64 98/134 Installing : dbus-libs-1:1.14.0-5.fc38.x86_64 99/134 Installing : avahi-libs-0.8-17.fc37.x86_64 100/134 Installing : cups-libs-1:2.4.2-4.fc38.x86_64 101/134 Installing : adobe-mappings-pdf-20190401-2.fc37.noarch 102/134 Installing : libgs-9.55.0-5.fc37.x86_64 103/134 Installing : python-setuptools-wheel-65.3.0-1.fc38.noarch 104/134 Installing : python3-3.11.0~rc1-2.fc38.x86_64 105/134 Installing : python3-libs-3.11.0~rc1-2.fc38.x86_64 106/134 Installing : python3-numpy-1:1.22.0-7.fc38.x86_64 107/134 Installing : python3-pyparsing-3.0.9-2.fc38.noarch 108/134 Installing : python3-six-1.16.0-8.fc37.noarch 109/134 Installing : python3-protobuf-3.19.4-6.fc38.noarch 110/134 Installing : mysql-connector-python3-8.0.21-7.fc38.noarch 111/134 Installing : python3-isodate-0.6.1-5.fc37.noarch 112/134 Installing : python3-packaging-21.3-7.fc38.noarch 113/134 Installing : python3-rpm-generators-13-2.fc37.noarch 114/134 Installing : python3-devel-3.11.0~rc1-2.fc38.x86_64 115/134 Installing : python3-numpy-f2py-1:1.22.0-7.fc38.x86_64 116/134 Installing : python3-setuptools-65.3.0-1.fc38.noarch 117/134 Installing : python3-rdflib-6.2.0-1.fc38.noarch 118/134 Installing : crypto-policies-scripts-20220824-2.git2187e9c.fc 119/134 Installing : nss-sysinit-3.81.0-1.fc37.x86_64 120/134 Installing : nss-3.81.0-1.fc37.x86_64 121/134 Running scriptlet: nss-3.81.0-1.fc37.x86_64 121/134 Installing : poppler-22.08.0-1.fc37.x86_64 122/134 Installing : poppler-glib-22.08.0-1.fc37.x86_64 123/134 Installing : graphviz-5.0.1-1.fc38.x86_64 124/134 Running scriptlet: graphviz-5.0.1-1.fc38.x86_64 124/134 Installing : python3-pygraphviz-1.10-1.fc38.x86_64 125/134 Installing : python3-networkx-2.8.6-2.fc38.noarch 126/134 Installing : python3-mysql-1.4.6-11.fc37.x86_64 127/134 Installing : python3-olefile-0.46-18.fc37.noarch 128/134 Installing : python3-pillow-9.2.0-2.fc37.x86_64 129/134 Installing : python3-reportlab-3.6.11-1.fc37.x86_64 130/134 Installing : python3-psycopg2-2.9.3-6.fc37.x86_64 131/134 Installing : python3-biopython-1.79-4.fc38.x86_64 132/134 Installing : python3-scipy-1.8.1-6.fc37.x86_64 133/134 Installing : python3-periodictable-1.6.1-3.fc37.noarch 134/134 Running scriptlet: urw-base35-bookman-fonts-20200910-15.fc37.noarch 134/134 Running scriptlet: urw-base35-c059-fonts-20200910-15.fc37.noarch 134/134 Running scriptlet: urw-base35-d050000l-fonts-20200910-15.fc37.noarc 134/134 Running scriptlet: urw-base35-gothic-fonts-20200910-15.fc37.noarch 134/134 Running scriptlet: urw-base35-nimbus-mono-ps-fonts-20200910-15.fc37 134/134 Running scriptlet: urw-base35-nimbus-roman-fonts-20200910-15.fc37.n 134/134 Running scriptlet: urw-base35-nimbus-sans-fonts-20200910-15.fc37.no 134/134 Running scriptlet: urw-base35-p052-fonts-20200910-15.fc37.noarch 134/134 Running scriptlet: urw-base35-standard-symbols-ps-fonts-20200910-15 134/134 Running scriptlet: urw-base35-z003-fonts-20200910-15.fc37.noarch 134/134 Running scriptlet: fontconfig-2.14.0-2.fc37.x86_64 134/134 Running scriptlet: crypto-policies-scripts-20220824-2.git2187e9c.fc 134/134 Running scriptlet: nss-3.81.0-1.fc37.x86_64 134/134 Running scriptlet: python3-periodictable-1.6.1-3.fc37.noarch 134/134 Verifying : mysql-connector-python3-8.0.21-7.fc38.noarch 1/134 Verifying : python-setuptools-wheel-65.3.0-1.fc38.noarch 2/134 Verifying : python3-biopython-1.79-4.fc38.x86_64 3/134 Verifying : python3-numpy-1:1.22.0-7.fc38.x86_64 4/134 Verifying : python3-numpy-f2py-1:1.22.0-7.fc38.x86_64 5/134 Verifying : python3-protobuf-3.19.4-6.fc38.noarch 6/134 Verifying : python3-pyparsing-3.0.9-2.fc38.noarch 7/134 Verifying : python3-setuptools-65.3.0-1.fc38.noarch 8/134 Verifying : adobe-mappings-cmap-20190730-4.fc37.noarch 9/134 Verifying : adobe-mappings-cmap-deprecated-20190730-4.fc37.n 10/134 Verifying : adobe-mappings-pdf-20190401-2.fc37.noarch 11/134 Verifying : avahi-libs-0.8-17.fc37.x86_64 12/134 Verifying : cairo-1.17.6-2.fc37.x86_64 13/134 Verifying : cairo-gobject-1.17.6-2.fc37.x86_64 14/134 Verifying : crypto-policies-scripts-20220824-2.git2187e9c.fc 15/134 Verifying : cups-libs-1:2.4.2-4.fc38.x86_64 16/134 Verifying : dbus-libs-1:1.14.0-5.fc38.x86_64 17/134 Verifying : dejavu-sans-fonts-2.37-19.fc37.noarch 18/134 Verifying : expat-2.4.8-2.fc37.x86_64 19/134 Verifying : flex-2.6.4-11.fc37.x86_64 20/134 Verifying : flexiblas-3.2.1-2.fc37.x86_64 21/134 Verifying : flexiblas-netlib-3.2.1-2.fc37.x86_64 22/134 Verifying : flexiblas-openblas-openmp-3.2.1-2.fc37.x86_64 23/134 Verifying : fontconfig-2.14.0-2.fc37.x86_64 24/134 Verifying : fonts-filesystem-1:2.0.5-9.fc38.noarch 25/134 Verifying : freetype-2.12.1-3.fc37.x86_64 26/134 Verifying : fribidi-1.0.12-2.fc37.x86_64 27/134 Verifying : gd-2.3.3-6.fc37.x86_64 28/134 Verifying : gdk-pixbuf2-2.42.9-1.fc38.x86_64 29/134 Verifying : glib2-2.73.3-2.fc38.x86_64 30/134 Verifying : gnutls-3.7.7-1.fc37.x86_64 31/134 Verifying : google-droid-sans-fonts-20200215-13.fc37.noarch 32/134 Verifying : google-noto-fonts-common-20201206^1.git0c78c8329 33/134 Verifying : google-noto-sans-vf-fonts-20201206^1.git0c78c832 34/134 Verifying : graphite2-1.3.14-10.fc37.x86_64 35/134 Verifying : graphviz-5.0.1-1.fc38.x86_64 36/134 Verifying : gts-0.7.6-42.20121130.fc37.x86_64 37/134 Verifying : harfbuzz-5.1.0-2.fc37.x86_64 38/134 Verifying : jbig2dec-libs-0.19-7.fc37.x86_64 39/134 Verifying : jbigkit-libs-2.1-24.fc37.x86_64 40/134 Verifying : langpacks-core-font-en-3.0-26.fc37.noarch 41/134 Verifying : lasi-1.1.3-9.fc37.x86_64 42/134 Verifying : lcms2-2.13.1-2.fc37.x86_64 43/134 Verifying : libX11-1.8.1-2.fc38.x86_64 44/134 Verifying : libX11-common-1.8.1-2.fc38.noarch 45/134 Verifying : libXau-1.0.10-1.fc38.x86_64 46/134 Verifying : libXext-1.3.4-9.fc37.x86_64 47/134 Verifying : libXft-2.3.4-3.fc37.x86_64 48/134 Verifying : libXpm-3.5.13-8.fc37.x86_64 49/134 Verifying : libXrender-0.9.10-17.fc37.x86_64 50/134 Verifying : libaom-3.4.0-3.fc37.x86_64 51/134 Verifying : libart_lgpl-2.3.21-28.fc37.x86_64 52/134 Verifying : libavif-0.10.1-3.fc37.x86_64 53/134 Verifying : libb2-0.98.1-7.fc37.x86_64 54/134 Verifying : libdatrie-0.2.13-4.fc37.x86_64 55/134 Verifying : libdav1d-1.0.0-2.fc37.x86_64 56/134 Verifying : libfontenc-1.1.4-4.fc37.x86_64 57/134 Verifying : libgfortran-12.2.1-1.fc38.x86_64 58/134 Verifying : libgs-9.55.0-5.fc37.x86_64 59/134 Verifying : libijs-0.35-16.fc37.x86_64 60/134 Verifying : libimagequant-2.17.0-3.fc37.x86_64 61/134 Verifying : libjpeg-turbo-2.1.4-1.fc38.x86_64 62/134 Verifying : libpaper-1.1.28-5.fc37.x86_64 63/134 Verifying : libpng-2:1.6.37-13.fc37.x86_64 64/134 Verifying : libpq-14.3-2.fc37.x86_64 65/134 Verifying : libquadmath-12.2.1-1.fc38.x86_64 66/134 Verifying : libraqm-0.8.0-2.fc37.x86_64 67/134 Verifying : librsvg2-2.54.5-1.fc38.x86_64 68/134 Verifying : libthai-0.1.29-3.fc37.x86_64 69/134 Verifying : libtiff-4.4.0-4.fc37.x86_64 70/134 Verifying : libtool-ltdl-2.4.7-2.fc37.x86_64 71/134 Verifying : libvmaf-2.3.0-4.fc37.x86_64 72/134 Verifying : libwebp-1.2.4-1.fc37.x86_64 73/134 Verifying : libxcb-1.13.1-10.fc37.x86_64 74/134 Verifying : m4-1.4.19-4.fc37.x86_64 75/134 Verifying : mariadb-connector-c-3.2.7-2.fc37.x86_64 76/134 Verifying : mariadb-connector-c-config-3.2.7-2.fc37.noarch 77/134 Verifying : mkfontscale-1.2.2-2.fc37.x86_64 78/134 Verifying : mpdecimal-2.5.1-4.fc37.x86_64 79/134 Verifying : netpbm-10.99.00-2.fc37.x86_64 80/134 Verifying : nettle-3.8-2.fc37.x86_64 81/134 Verifying : nspr-4.34.0-3.fc37.x86_64 82/134 Verifying : nss-3.81.0-1.fc37.x86_64 83/134 Verifying : nss-softokn-3.81.0-1.fc37.x86_64 84/134 Verifying : nss-softokn-freebl-3.81.0-1.fc37.x86_64 85/134 Verifying : nss-sysinit-3.81.0-1.fc37.x86_64 86/134 Verifying : nss-util-3.81.0-1.fc37.x86_64 87/134 Verifying : openblas-0.3.21-3.fc38.x86_64 88/134 Verifying : openblas-openmp-0.3.21-3.fc38.x86_64 89/134 Verifying : openjpeg2-2.5.0-2.fc37.x86_64 90/134 Verifying : pango-1.50.9-1.fc38.x86_64 91/134 Verifying : pixman-0.40.0-6.fc37.x86_64 92/134 Verifying : poppler-22.08.0-1.fc37.x86_64 93/134 Verifying : poppler-data-0.4.11-3.fc37.noarch 94/134 Verifying : poppler-glib-22.08.0-1.fc37.x86_64 95/134 Verifying : pyproject-rpm-macros-1.3.3-1.fc38.noarch 96/134 Verifying : python-pip-wheel-22.2.2-1.fc38.noarch 97/134 Verifying : python-rpm-macros-3.11-4.fc37.noarch 98/134 Verifying : python3-3.11.0~rc1-2.fc38.x86_64 99/134 Verifying : python3-devel-3.11.0~rc1-2.fc38.x86_64 100/134 Verifying : python3-isodate-0.6.1-5.fc37.noarch 101/134 Verifying : python3-libs-3.11.0~rc1-2.fc38.x86_64 102/134 Verifying : python3-mysql-1.4.6-11.fc37.x86_64 103/134 Verifying : python3-networkx-2.8.6-2.fc38.noarch 104/134 Verifying : python3-olefile-0.46-18.fc37.noarch 105/134 Verifying : python3-packaging-21.3-7.fc38.noarch 106/134 Verifying : python3-periodictable-1.6.1-3.fc37.noarch 107/134 Verifying : python3-pillow-9.2.0-2.fc37.x86_64 108/134 Verifying : python3-psycopg2-2.9.3-6.fc37.x86_64 109/134 Verifying : python3-pygraphviz-1.10-1.fc38.x86_64 110/134 Verifying : python3-rdflib-6.2.0-1.fc38.noarch 111/134 Verifying : python3-reportlab-3.6.11-1.fc37.x86_64 112/134 Verifying : python3-rpm-generators-13-2.fc37.noarch 113/134 Verifying : python3-rpm-macros-3.11-4.fc37.noarch 114/134 Verifying : python3-scipy-1.8.1-6.fc37.x86_64 115/134 Verifying : python3-six-1.16.0-8.fc37.noarch 116/134 Verifying : rav1e-libs-0.5.1-5.fc37.x86_64 117/134 Verifying : shared-mime-info-2.2-2.fc37.x86_64 118/134 Verifying : svt-av1-libs-1.1.0-2.fc37.x86_64 119/134 Verifying : urw-base35-bookman-fonts-20200910-15.fc37.noarch 120/134 Verifying : urw-base35-c059-fonts-20200910-15.fc37.noarch 121/134 Verifying : urw-base35-d050000l-fonts-20200910-15.fc37.noarc 122/134 Verifying : urw-base35-fonts-20200910-15.fc37.noarch 123/134 Verifying : urw-base35-fonts-common-20200910-15.fc37.noarch 124/134 Verifying : urw-base35-gothic-fonts-20200910-15.fc37.noarch 125/134 Verifying : urw-base35-nimbus-mono-ps-fonts-20200910-15.fc37 126/134 Verifying : urw-base35-nimbus-roman-fonts-20200910-15.fc37.n 127/134 Verifying : urw-base35-nimbus-sans-fonts-20200910-15.fc37.no 128/134 Verifying : urw-base35-p052-fonts-20200910-15.fc37.noarch 129/134 Verifying : urw-base35-standard-symbols-ps-fonts-20200910-15 130/134 Verifying : urw-base35-z003-fonts-20200910-15.fc37.noarch 131/134 Verifying : wise2-2.4.1-15.fc37.x86_64 132/134 Verifying : xml-common-0.6.3-59.fc37.noarch 133/134 Verifying : xorg-x11-fonts-ISO8859-1-100dpi-7.5-34.fc37.noar 134/134 Installed: adobe-mappings-cmap-20190730-4.fc37.noarch adobe-mappings-cmap-deprecated-20190730-4.fc37.noarch adobe-mappings-pdf-20190401-2.fc37.noarch avahi-libs-0.8-17.fc37.x86_64 cairo-1.17.6-2.fc37.x86_64 cairo-gobject-1.17.6-2.fc37.x86_64 crypto-policies-scripts-20220824-2.git2187e9c.fc38.noarch cups-libs-1:2.4.2-4.fc38.x86_64 dbus-libs-1:1.14.0-5.fc38.x86_64 dejavu-sans-fonts-2.37-19.fc37.noarch expat-2.4.8-2.fc37.x86_64 flex-2.6.4-11.fc37.x86_64 flexiblas-3.2.1-2.fc37.x86_64 flexiblas-netlib-3.2.1-2.fc37.x86_64 flexiblas-openblas-openmp-3.2.1-2.fc37.x86_64 fontconfig-2.14.0-2.fc37.x86_64 fonts-filesystem-1:2.0.5-9.fc38.noarch freetype-2.12.1-3.fc37.x86_64 fribidi-1.0.12-2.fc37.x86_64 gd-2.3.3-6.fc37.x86_64 gdk-pixbuf2-2.42.9-1.fc38.x86_64 glib2-2.73.3-2.fc38.x86_64 gnutls-3.7.7-1.fc37.x86_64 google-droid-sans-fonts-20200215-13.fc37.noarch google-noto-fonts-common-20201206^1.git0c78c8329-3.fc38.noarch google-noto-sans-vf-fonts-20201206^1.git0c78c8329-3.fc38.noarch graphite2-1.3.14-10.fc37.x86_64 graphviz-5.0.1-1.fc38.x86_64 gts-0.7.6-42.20121130.fc37.x86_64 harfbuzz-5.1.0-2.fc37.x86_64 jbig2dec-libs-0.19-7.fc37.x86_64 jbigkit-libs-2.1-24.fc37.x86_64 langpacks-core-font-en-3.0-26.fc37.noarch lasi-1.1.3-9.fc37.x86_64 lcms2-2.13.1-2.fc37.x86_64 libX11-1.8.1-2.fc38.x86_64 libX11-common-1.8.1-2.fc38.noarch libXau-1.0.10-1.fc38.x86_64 libXext-1.3.4-9.fc37.x86_64 libXft-2.3.4-3.fc37.x86_64 libXpm-3.5.13-8.fc37.x86_64 libXrender-0.9.10-17.fc37.x86_64 libaom-3.4.0-3.fc37.x86_64 libart_lgpl-2.3.21-28.fc37.x86_64 libavif-0.10.1-3.fc37.x86_64 libb2-0.98.1-7.fc37.x86_64 libdatrie-0.2.13-4.fc37.x86_64 libdav1d-1.0.0-2.fc37.x86_64 libfontenc-1.1.4-4.fc37.x86_64 libgfortran-12.2.1-1.fc38.x86_64 libgs-9.55.0-5.fc37.x86_64 libijs-0.35-16.fc37.x86_64 libimagequant-2.17.0-3.fc37.x86_64 libjpeg-turbo-2.1.4-1.fc38.x86_64 libpaper-1.1.28-5.fc37.x86_64 libpng-2:1.6.37-13.fc37.x86_64 libpq-14.3-2.fc37.x86_64 libquadmath-12.2.1-1.fc38.x86_64 libraqm-0.8.0-2.fc37.x86_64 librsvg2-2.54.5-1.fc38.x86_64 libthai-0.1.29-3.fc37.x86_64 libtiff-4.4.0-4.fc37.x86_64 libtool-ltdl-2.4.7-2.fc37.x86_64 libvmaf-2.3.0-4.fc37.x86_64 libwebp-1.2.4-1.fc37.x86_64 libxcb-1.13.1-10.fc37.x86_64 m4-1.4.19-4.fc37.x86_64 mariadb-connector-c-3.2.7-2.fc37.x86_64 mariadb-connector-c-config-3.2.7-2.fc37.noarch mkfontscale-1.2.2-2.fc37.x86_64 mpdecimal-2.5.1-4.fc37.x86_64 mysql-connector-python3-8.0.21-7.fc38.noarch netpbm-10.99.00-2.fc37.x86_64 nettle-3.8-2.fc37.x86_64 nspr-4.34.0-3.fc37.x86_64 nss-3.81.0-1.fc37.x86_64 nss-softokn-3.81.0-1.fc37.x86_64 nss-softokn-freebl-3.81.0-1.fc37.x86_64 nss-sysinit-3.81.0-1.fc37.x86_64 nss-util-3.81.0-1.fc37.x86_64 openblas-0.3.21-3.fc38.x86_64 openblas-openmp-0.3.21-3.fc38.x86_64 openjpeg2-2.5.0-2.fc37.x86_64 pango-1.50.9-1.fc38.x86_64 pixman-0.40.0-6.fc37.x86_64 poppler-22.08.0-1.fc37.x86_64 poppler-data-0.4.11-3.fc37.noarch poppler-glib-22.08.0-1.fc37.x86_64 pyproject-rpm-macros-1.3.3-1.fc38.noarch python-pip-wheel-22.2.2-1.fc38.noarch python-rpm-macros-3.11-4.fc37.noarch python-setuptools-wheel-65.3.0-1.fc38.noarch python3-3.11.0~rc1-2.fc38.x86_64 python3-biopython-1.79-4.fc38.x86_64 python3-devel-3.11.0~rc1-2.fc38.x86_64 python3-isodate-0.6.1-5.fc37.noarch python3-libs-3.11.0~rc1-2.fc38.x86_64 python3-mysql-1.4.6-11.fc37.x86_64 python3-networkx-2.8.6-2.fc38.noarch python3-numpy-1:1.22.0-7.fc38.x86_64 python3-numpy-f2py-1:1.22.0-7.fc38.x86_64 python3-olefile-0.46-18.fc37.noarch python3-packaging-21.3-7.fc38.noarch python3-periodictable-1.6.1-3.fc37.noarch python3-pillow-9.2.0-2.fc37.x86_64 python3-protobuf-3.19.4-6.fc38.noarch python3-psycopg2-2.9.3-6.fc37.x86_64 python3-pygraphviz-1.10-1.fc38.x86_64 python3-pyparsing-3.0.9-2.fc38.noarch python3-rdflib-6.2.0-1.fc38.noarch python3-reportlab-3.6.11-1.fc37.x86_64 python3-rpm-generators-13-2.fc37.noarch python3-rpm-macros-3.11-4.fc37.noarch python3-scipy-1.8.1-6.fc37.x86_64 python3-setuptools-65.3.0-1.fc38.noarch python3-six-1.16.0-8.fc37.noarch rav1e-libs-0.5.1-5.fc37.x86_64 shared-mime-info-2.2-2.fc37.x86_64 svt-av1-libs-1.1.0-2.fc37.x86_64 urw-base35-bookman-fonts-20200910-15.fc37.noarch urw-base35-c059-fonts-20200910-15.fc37.noarch urw-base35-d050000l-fonts-20200910-15.fc37.noarch urw-base35-fonts-20200910-15.fc37.noarch urw-base35-fonts-common-20200910-15.fc37.noarch urw-base35-gothic-fonts-20200910-15.fc37.noarch urw-base35-nimbus-mono-ps-fonts-20200910-15.fc37.noarch urw-base35-nimbus-roman-fonts-20200910-15.fc37.noarch urw-base35-nimbus-sans-fonts-20200910-15.fc37.noarch urw-base35-p052-fonts-20200910-15.fc37.noarch urw-base35-standard-symbols-ps-fonts-20200910-15.fc37.noarch urw-base35-z003-fonts-20200910-15.fc37.noarch wise2-2.4.1-15.fc37.x86_64 xml-common-0.6.3-59.fc37.noarch xorg-x11-fonts-ISO8859-1-100dpi-7.5-34.fc37.noarch Complete! Finish: build setup for python-cclib-1.7.1-2.20220618git8e6892a5.fc38.src.rpm Start: rpmbuild python-cclib-1.7.1-2.20220618git8e6892a5.fc38.src.rpm Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1658448000 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.0LxQA4 + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf cclib-8e6892a562b7916a465a808e2fce43ca7688592b + /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz + STATUS=0 + '[' 0 -ne 0 ']' + cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + rm -rf cclib.egg-info + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.vTZbzb + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -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 cclib-8e6892a562b7916a465a808e2fce43ca7688592b + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -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' + /usr/bin/python3 setup.py build '--executable=/usr/bin/python3 -sP' running build running build_py creating build creating build/lib creating build/lib/cclib copying cclib/__init__.py -> build/lib/cclib creating build/lib/cclib/scripts copying cclib/scripts/cda.py -> build/lib/cclib/scripts copying cclib/scripts/ccwrite.py -> build/lib/cclib/scripts copying cclib/scripts/ccget.py -> build/lib/cclib/scripts copying cclib/scripts/ccframe.py -> build/lib/cclib/scripts copying cclib/scripts/__init__.py -> build/lib/cclib/scripts creating build/lib/cclib/progress copying cclib/progress/textprogress.py -> build/lib/cclib/progress copying cclib/progress/qt4progress.py -> build/lib/cclib/progress copying cclib/progress/__init__.py -> build/lib/cclib/progress creating build/lib/cclib/parser copying cclib/parser/utils.py -> build/lib/cclib/parser copying cclib/parser/turbomoleparser.py -> build/lib/cclib/parser copying cclib/parser/qchemparser.py -> build/lib/cclib/parser copying cclib/parser/psi4parser.py -> build/lib/cclib/parser copying cclib/parser/psi3parser.py -> build/lib/cclib/parser copying cclib/parser/orcaparser.py -> build/lib/cclib/parser copying cclib/parser/nwchemparser.py -> build/lib/cclib/parser copying cclib/parser/mopacparser.py -> build/lib/cclib/parser copying cclib/parser/molproparser.py -> build/lib/cclib/parser copying cclib/parser/molcasparser.py -> build/lib/cclib/parser copying cclib/parser/logfileparser.py -> build/lib/cclib/parser copying cclib/parser/jaguarparser.py -> build/lib/cclib/parser copying cclib/parser/gaussianparser.py -> build/lib/cclib/parser copying cclib/parser/gamessukparser.py -> build/lib/cclib/parser copying cclib/parser/gamessparser.py -> build/lib/cclib/parser copying cclib/parser/fchkparser.py -> build/lib/cclib/parser copying cclib/parser/data.py -> build/lib/cclib/parser copying cclib/parser/daltonparser.py -> build/lib/cclib/parser copying cclib/parser/adfparser.py -> build/lib/cclib/parser copying cclib/parser/__init__.py -> build/lib/cclib/parser creating build/lib/cclib/method copying cclib/method/volume.py -> build/lib/cclib/method copying cclib/method/stockholder.py -> build/lib/cclib/method copying cclib/method/population.py -> build/lib/cclib/method copying cclib/method/orbitals.py -> build/lib/cclib/method copying cclib/method/opa.py -> build/lib/cclib/method copying cclib/method/nuclear.py -> build/lib/cclib/method copying cclib/method/mpa.py -> build/lib/cclib/method copying cclib/method/moments.py -> build/lib/cclib/method copying cclib/method/mbo.py -> build/lib/cclib/method copying cclib/method/lpa.py -> build/lib/cclib/method copying cclib/method/hirshfeld.py -> build/lib/cclib/method copying cclib/method/fragments.py -> build/lib/cclib/method copying cclib/method/electrons.py -> build/lib/cclib/method copying cclib/method/density.py -> build/lib/cclib/method copying cclib/method/ddec.py -> build/lib/cclib/method copying cclib/method/cspa.py -> build/lib/cclib/method copying cclib/method/cda.py -> build/lib/cclib/method copying cclib/method/calculationmethod.py -> build/lib/cclib/method copying cclib/method/bickelhaupt.py -> build/lib/cclib/method copying cclib/method/bader.py -> build/lib/cclib/method copying cclib/method/__init__.py -> build/lib/cclib/method creating build/lib/cclib/io copying cclib/io/xyzwriter.py -> build/lib/cclib/io copying cclib/io/xyzreader.py -> build/lib/cclib/io copying cclib/io/wfxwriter.py -> build/lib/cclib/io copying cclib/io/moldenwriter.py -> build/lib/cclib/io copying cclib/io/filewriter.py -> build/lib/cclib/io copying cclib/io/filereader.py -> build/lib/cclib/io copying cclib/io/cmlwriter.py -> build/lib/cclib/io copying cclib/io/cjsonwriter.py -> build/lib/cclib/io copying cclib/io/cjsonreader.py -> build/lib/cclib/io copying cclib/io/ccio.py -> build/lib/cclib/io copying cclib/io/__init__.py -> build/lib/cclib/io creating build/lib/cclib/bridge copying cclib/bridge/cclib2pyscf.py -> build/lib/cclib/bridge copying cclib/bridge/cclib2pyquante.py -> build/lib/cclib/bridge copying cclib/bridge/cclib2psi4.py -> build/lib/cclib/bridge copying cclib/bridge/cclib2openbabel.py -> build/lib/cclib/bridge copying cclib/bridge/cclib2horton.py -> build/lib/cclib/bridge copying cclib/bridge/cclib2biopython.py -> build/lib/cclib/bridge copying cclib/bridge/cclib2ase.py -> build/lib/cclib/bridge copying cclib/bridge/__init__.py -> build/lib/cclib/bridge + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.vtb4Hu + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64 '!=' / ']' + rm -rf /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64 ++ dirname /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64 + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64 + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -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 cclib-8e6892a562b7916a465a808e2fce43ca7688592b + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -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' + /usr/bin/python3 setup.py install -O1 --skip-build --root /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64 --prefix /usr running install /usr/lib/python3.11/site-packages/setuptools/command/install.py:34: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools. warnings.warn( running install_lib creating /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr creating /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib creating /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11 creating /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages creating /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib creating /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge copying build/lib/cclib/bridge/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2ase.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2biopython.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2horton.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2openbabel.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2psi4.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2pyquante.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2pyscf.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge creating /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io copying build/lib/cclib/io/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io copying build/lib/cclib/io/ccio.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io copying build/lib/cclib/io/cjsonreader.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io copying build/lib/cclib/io/cjsonwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io copying build/lib/cclib/io/cmlwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io copying build/lib/cclib/io/filereader.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io copying build/lib/cclib/io/filewriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io copying build/lib/cclib/io/moldenwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io copying build/lib/cclib/io/wfxwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io copying build/lib/cclib/io/xyzreader.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io copying build/lib/cclib/io/xyzwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io creating /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/bader.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/bickelhaupt.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/calculationmethod.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/cda.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/cspa.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/ddec.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/density.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/electrons.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/fragments.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/hirshfeld.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/lpa.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/mbo.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/moments.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/mpa.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/nuclear.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/opa.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/orbitals.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/population.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/stockholder.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method copying build/lib/cclib/method/volume.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method creating /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/adfparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/daltonparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/data.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/fchkparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/gamessparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/gamessukparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/gaussianparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/jaguarparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/logfileparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/molcasparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/molproparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/mopacparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/nwchemparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/orcaparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/psi3parser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/psi4parser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/qchemparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/turbomoleparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser copying build/lib/cclib/parser/utils.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser creating /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress copying build/lib/cclib/progress/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress copying build/lib/cclib/progress/qt4progress.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress copying build/lib/cclib/progress/textprogress.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress creating /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts copying build/lib/cclib/scripts/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts copying build/lib/cclib/scripts/ccframe.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts copying build/lib/cclib/scripts/ccget.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts copying build/lib/cclib/scripts/ccwrite.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts copying build/lib/cclib/scripts/cda.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts copying build/lib/cclib/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/__init__.py to __init__.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2ase.py to cclib2ase.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2biopython.py to cclib2biopython.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2horton.py to cclib2horton.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2openbabel.py to cclib2openbabel.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2psi4.py to cclib2psi4.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2pyquante.py to cclib2pyquante.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/bridge/cclib2pyscf.py to cclib2pyscf.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/__init__.py to __init__.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/ccio.py to ccio.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/cjsonreader.py to cjsonreader.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/cjsonwriter.py to cjsonwriter.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/cmlwriter.py to cmlwriter.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/filereader.py to filereader.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/filewriter.py to filewriter.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/moldenwriter.py to moldenwriter.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/wfxwriter.py to wfxwriter.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/xyzreader.py to xyzreader.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/io/xyzwriter.py to xyzwriter.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/__init__.py to __init__.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/bader.py to bader.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/bickelhaupt.py to bickelhaupt.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/calculationmethod.py to calculationmethod.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/cda.py to cda.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/cspa.py to cspa.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/ddec.py to ddec.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/density.py to density.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/electrons.py to electrons.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/fragments.py to fragments.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/hirshfeld.py to hirshfeld.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/lpa.py to lpa.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/mbo.py to mbo.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/moments.py to moments.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/mpa.py to mpa.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/nuclear.py to nuclear.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/opa.py to opa.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/orbitals.py to orbitals.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/population.py to population.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/stockholder.py to stockholder.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/method/volume.py to volume.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/__init__.py to __init__.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/adfparser.py to adfparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/daltonparser.py to daltonparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/data.py to data.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/fchkparser.py to fchkparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/gamessparser.py to gamessparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/gamessukparser.py to gamessukparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/gaussianparser.py to gaussianparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/jaguarparser.py to jaguarparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/logfileparser.py to logfileparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/molcasparser.py to molcasparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/molproparser.py to molproparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/mopacparser.py to mopacparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/nwchemparser.py to nwchemparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/orcaparser.py to orcaparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/psi3parser.py to psi3parser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/psi4parser.py to psi4parser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/qchemparser.py to qchemparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/turbomoleparser.py to turbomoleparser.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/parser/utils.py to utils.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress/__init__.py to __init__.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress/qt4progress.py to qt4progress.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/progress/textprogress.py to textprogress.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/__init__.py to __init__.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccframe.py to ccframe.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccget.py to ccget.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccwrite.py to ccwrite.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/cda.py to cda.cpython-311.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/__init__.py to __init__.cpython-311.pyc writing byte-compilation script '/tmp/tmpcu17s4hr.py' /usr/bin/python3 /tmp/tmpcu17s4hr.py removing /tmp/tmpcu17s4hr.py running install_egg_info running egg_info creating cclib.egg-info writing cclib.egg-info/PKG-INFO writing dependency_links to cclib.egg-info/dependency_links.txt writing entry points to cclib.egg-info/entry_points.txt writing requirements to cclib.egg-info/requires.txt writing top-level names to cclib.egg-info/top_level.txt writing manifest file 'cclib.egg-info/SOURCES.txt' reading manifest file 'cclib.egg-info/SOURCES.txt' adding license file 'LICENSE' writing manifest file 'cclib.egg-info/SOURCES.txt' Copying cclib.egg-info to /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib-1.7.1-py3.11.egg-info running install_scripts Installing ccframe script to /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/bin Installing ccget script to /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/bin Installing ccwrite script to /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/bin Installing cda script to /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/bin + rm -rfv /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/bin/__pycache__ + for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/*.py + sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/__init__.py + touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/__init__.py /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/__init__.py.new + mv /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/__init__.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/__init__.py + for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/*.py + sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccframe.py + touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccframe.py /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccframe.py.new + mv /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccframe.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccframe.py + for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/*.py + sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccget.py + touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccget.py /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccget.py.new + mv /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccget.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccget.py + for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/*.py + sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccwrite.py + touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccwrite.py /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccwrite.py.new + mv /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccwrite.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/ccwrite.py + for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/*.py + sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/cda.py + touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/cda.py /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/cda.py.new + mv /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/cda.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages/cclib/scripts/cda.py + /usr/bin/find-debuginfo -j2 --strict-build-id -m -i --build-id-seed 1.7.1-2.20220618git8e6892a5.fc38 --unique-debug-suffix -1.7.1-2.20220618git8e6892a5.fc38.x86_64 --unique-debug-src-base python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 110000000 -S debugsourcefiles.list /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b find: 'debug': No such file or directory + /usr/lib/rpm/check-buildroot + /usr/lib/rpm/redhat/brp-ldconfig + /usr/lib/rpm/brp-compress + /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 + /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 Bytecompiling .py files below /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11 using python3.11 + /usr/lib/rpm/redhat/brp-python-hardlink Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.pIDlIi + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -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 cclib-8e6892a562b7916a465a808e2fce43ca7688592b + PYTHONPATH=/builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/lib/python3.11/site-packages + /usr/bin/python3 -m test.test_data :128: RuntimeWarning: 'test.test_data' found in sys.modules after import of package 'test', but prior to execution of 'test.test_data'; this may result in unpredictable behaviour /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/dvb_sp_hf.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/dvb_sp_hf.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/dvb_sp_ks.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/dvb_sp_ks.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK7.0/dvb_sp_b.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/dvb_sp_hf.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/dvb_sp_ks.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicFirefly8.0/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/dvb_sp_hf.out: Customized basis set unittest *** testcoeffs (test.data.testBasis.JaguarBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.JaguarBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.JaguarBasisTest.testgbasis) ... ok testnames (test.data.testBasis.JaguarBasisTest.testnames) ... ok testprimitives (test.data.testBasis.JaguarBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.JaguarBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/dvb_sp_ks.out: Customized basis set unittest *** testcoeffs (test.data.testBasis.JaguarBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.JaguarBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.JaguarBasisTest.testgbasis) ... ok testnames (test.data.testBasis.JaguarBasisTest.testnames) ... ok testprimitives (test.data.testBasis.JaguarBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.JaguarBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicOpenMolcas18.0/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2006/dvb_sphf.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/dvb_sphf.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.0/dvb_sp_hf.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.0/dvb_sp_ks.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.5/dvb_sp_hf.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.5/dvb_sp_ks.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/dvb_sp_rhf.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/dvb_sp_rks.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/dvb_sp_rhf.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/dvb_sp_rks.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... ok testcontractions (test.data.testBasis.GenericBasisTest.testcontractions) ... ok testgbasis (test.data.testBasis.GenericBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/C_bigbasis.out: Customized big basis set unittest *** testcoeffs (test.data.testBasis.DALTONBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.DALTONBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.DALTONBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.DALTONBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.DALTONBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.DALTONBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/C_bigbasis.out: Customized big basis set unittest *** testcoeffs (test.data.testBasis.DALTONBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.DALTONBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.DALTONBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.DALTONBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.DALTONBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.DALTONBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicFirefly8.0/C_bigbasis.out: Generic big basis set unittest *** testcoeffs (test.data.testBasis.GenericBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.GenericBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.GenericBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/C_bigbasis.out: Generic big basis set unittest *** testcoeffs (test.data.testBasis.GenericBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.GenericBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.GenericBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/C_bigbasis.out: Generic big basis set unittest *** testcoeffs (test.data.testBasis.GenericBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.GenericBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.GenericBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/C_bigbasis.out: Customized big basis set unittest *** testcoeffs (test.data.testBasis.GaussianBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.GaussianBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.GaussianBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GaussianBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GaussianBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GaussianBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/C_bigbasis.out: Customized big basis set unittest *** testcoeffs (test.data.testBasis.GaussianBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.GaussianBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.GaussianBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GaussianBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GaussianBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GaussianBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/C_bigbasis.out: Customized big basis set unittest *** testcoeffs (test.data.testBasis.JaguarBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.JaguarBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.JaguarBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.JaguarBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.JaguarBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.JaguarBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicOpenMolcas18.0/C_bigbasis.out: Customized big basis set unittest *** testcoeffs (test.data.testBasis.MolcasBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.MolcasBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.MolcasBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.MolcasBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.MolcasBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.MolcasBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2006/C_bigbasis.out: Customized big basis set unittest *** testcoeffs (test.data.testBasis.MolproBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.MolproBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.MolproBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.MolproBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.MolproBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.MolproBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/C_bigbasis.out: Customized big basis set unittest *** testcoeffs (test.data.testBasis.MolproBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.MolproBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.MolproBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.MolproBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.MolproBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.MolproBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.0/C_bigbasis.out: Generic big basis set unittest *** testcoeffs (test.data.testBasis.GenericBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.GenericBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.GenericBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.5/C_bigbasis.out: Generic big basis set unittest *** testcoeffs (test.data.testBasis.GenericBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.GenericBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.GenericBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.GenericBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.GenericBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.GenericBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/C_bigbasis.out: Customized big basis set unittest *** testcoeffs (test.data.testBasis.Psi4BigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.Psi4BigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.Psi4BigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.Psi4BigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.Psi4BigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.Psi4BigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/C_bigbasis.out: Customized big basis set unittest *** testcoeffs (test.data.testBasis.Psi4BigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.Psi4BigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.Psi4BigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.Psi4BigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.Psi4BigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.Psi4BigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/C_bigbasis.out: Customized big basis set unittest *** testcoeffs (test.data.testBasis.QChemBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.QChemBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.QChemBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.QChemBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.QChemBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.QChemBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/C_bigbasis.out: Customized big basis set unittest *** testcoeffs (test.data.testBasis.QChemBigBasisTest.testcoeffs) Are the basis set coefficients correct? ... skipped 'Write up a new test, and/or revise the one inherited.' testcontractions (test.data.testBasis.QChemBigBasisTest.testcontractions) ... skipped '# of contractions is 20 for VQZ, but 29 for CVQZ; unify files first.' testgbasis (test.data.testBasis.QChemBigBasisTest.testgbasis) ... ok testnames (test.data.testBasis.QChemBigBasisTest.testnames) ... ok testprimitives (test.data.testBasis.QChemBigBasisTest.testprimitives) ... ok testsizeofbasis (test.data.testBasis.QChemBigBasisTest.testsizeofbasis) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/dvb_bomd.out: Customized Born-Oppenheimer molecular dynamics unittest *** testdimatomcoords (test.data.testBOMD.GaussianBOMDTest.testdimatomcoords) Are the number of parsed geometries consistent with the number of ... ok testdimscfenergies (test.data.testBOMD.GaussianBOMDTest.testdimscfenergies) Are the number of parsed energies consistent with the number of MD ... ok testdimtime (test.data.testBOMD.GaussianBOMDTest.testdimtime) Are the number of time points consistent with the number of MD ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.6/dvb_bomd_ks.out: Generic Born-Oppenheimer molecular dynamics unittest *** testdimatomcoords (test.data.testBOMD.GenericBOMDTest.testdimatomcoords) Are the number of parsed geometries consistent with the number of ... ok testdimscfenergies (test.data.testBOMD.GenericBOMDTest.testdimscfenergies) Are the number of parsed energies consistent with the number of MD ... ok testdimtime (test.data.testBOMD.GenericBOMDTest.testdimtime) Are the number of time points consistent with the number of MD ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/dvb_bomd.out: Generic Born-Oppenheimer molecular dynamics unittest *** testdimatomcoords (test.data.testBOMD.GenericBOMDTest.testdimatomcoords) Are the number of parsed geometries consistent with the number of ... ok testdimscfenergies (test.data.testBOMD.GenericBOMDTest.testdimscfenergies) Are the number of parsed energies consistent with the number of MD ... ok testdimtime (test.data.testBOMD.GenericBOMDTest.testdimtime) Are the number of time points consistent with the number of MD ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/dvb_bomd.out: Generic Born-Oppenheimer molecular dynamics unittest *** testdimatomcoords (test.data.testBOMD.GenericBOMDTest.testdimatomcoords) Are the number of parsed geometries consistent with the number of ... ok testdimscfenergies (test.data.testBOMD.GenericBOMDTest.testdimscfenergies) Are the number of parsed energies consistent with the number of MD ... ok testdimtime (test.data.testBOMD.GenericBOMDTest.testdimtime) Are the number of time points consistent with the number of MD ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/water_ccsdt.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/water_ccsdt.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/water_ccd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/water_ccd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/water_ccsd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/water_ccsd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/water_ccsd(t).out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/water_ccsd(t).out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/water_ccd.log: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/water_ccd.log: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/water_ccsd.log: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/water_ccsd.log: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/water_ccsdt.log: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/water_ccsdt.log: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2006/h2o_ccd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/h2o_ccd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2006/h2o_ccsd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/h2o_ccsd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2006/h2o_ccsd(t).out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/h2o_ccsdt.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicOpenMolcas18.0/water_ccsd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.0/water_ccsd(t).out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.5/water_ccsd(t).out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/water_ccsd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/water_ccsd_t.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/water_ccsd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/water_ccsd_t.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/water_ccsd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/water_ccsd_t.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/water_ccsd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/water_ccsd(t).out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/water_ccsd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/water_ccsd(t).out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/water_ccd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/water_ccsd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/water_ccsd(t).out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/water_ccd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/water_ccsd.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/water_ccsd(t).out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.2/water_ccsd/basis,water_ccsd/control,water_ccsd/mos,water_ccsd/dscf.out,water_ccsd/ccsdf12.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/water_ccsd/basis,water_ccsd/control,water_ccsd/mos,water_ccsd/dscf.out,water_ccsd/ccsdf12.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/water_cc2/basis,water_cc2/control,water_cc2/mos,water_cc2/dscf.out,water_cc2/ricc2.out: Generic coupled cluster unittest *** testsign (test.data.testCC.GenericCCTest.testsign) Are the coupled cluster corrections negative? ... ok testsizeandshape (test.data.testCC.GenericCCTest.testsizeandshape) Are the dimensions of ccenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/water_cis_saps.out: Customized CIS(RHF)/STO-3G water unittest *** testetenergiesvalues (test.data.testCI.GAMESSCISTest.testetenergiesvalues) ... ok testetsecsvalues (test.data.testCI.GAMESSCISTest.testetsecsvalues) ... ok testnocoeffs (test.data.testCI.GAMESSCISTest.testnocoeffs) Are natural orbital coefficients the right size? ... ok testnooccnos (test.data.testCI.GAMESSCISTest.testnooccnos) Are natural orbital occupation numbers the right size? ... ok testsecs (test.data.testCI.GAMESSCISTest.testsecs) ... ok ---------------------------------------------------------------------- Ran 5 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/water_cis_saps.out: Customized CIS(RHF)/STO-3G water unittest *** testetenergiesvalues (test.data.testCI.GAMESSCISTest.testetenergiesvalues) ... ok testetsecsvalues (test.data.testCI.GAMESSCISTest.testetsecsvalues) ... ok testnocoeffs (test.data.testCI.GAMESSCISTest.testnocoeffs) Are natural orbital coefficients the right size? ... ok testnooccnos (test.data.testCI.GAMESSCISTest.testnooccnos) Are natural orbital occupation numbers the right size? ... ok testsecs (test.data.testCI.GAMESSCISTest.testsecs) ... ok ---------------------------------------------------------------------- Ran 5 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/water_cis.log: Customized CIS(RHF)/STO-3G water unittest *** testetenergiesvalues (test.data.testCI.GaussianCISTest.testetenergiesvalues) ... ok testetsecsvalues (test.data.testCI.GaussianCISTest.testetsecsvalues) ... ok testnocoeffs (test.data.testCI.GaussianCISTest.testnocoeffs) Are natural orbital coefficients the right size? ... ok testnooccnos (test.data.testCI.GaussianCISTest.testnooccnos) Are natural orbital occupation numbers the right size? ... ok testsecs (test.data.testCI.GaussianCISTest.testsecs) ... ok ---------------------------------------------------------------------- Ran 5 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/water_cis.log: Customized CIS(RHF)/STO-3G water unittest *** testetenergiesvalues (test.data.testCI.GaussianCISTest.testetenergiesvalues) ... ok testetsecsvalues (test.data.testCI.GaussianCISTest.testetsecsvalues) ... ok testnocoeffs (test.data.testCI.GaussianCISTest.testnocoeffs) Are natural orbital coefficients the right size? ... ok testnooccnos (test.data.testCI.GaussianCISTest.testnooccnos) Are natural orbital occupation numbers the right size? ... ok testsecs (test.data.testCI.GaussianCISTest.testsecs) ... ok ---------------------------------------------------------------------- Ran 5 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar7.0/water_cis.out: Generic CIS(RHF)/STO-3G water unittest *** testetenergiesvalues (test.data.testCI.GenericCISTest.testetenergiesvalues) ... ok testetsecsvalues (test.data.testCI.GenericCISTest.testetsecsvalues) ... ok testsecs (test.data.testCI.GenericCISTest.testsecs) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/water_cis.out: Customized CIS(RHF)/STO-3G water unittest *** testetenergiesvalues (test.data.testCI.Jaguar83CISTest.testetenergiesvalues) ... ok testetsecsvalues (test.data.testCI.Jaguar83CISTest.testetsecsvalues) ... ok testsecs (test.data.testCI.Jaguar83CISTest.testsecs) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/water_cis.out: Customized CIS(RHF)/STO-3G water unittest *** testetenergiesvalues (test.data.testCI.QChemCISTest.testetenergiesvalues) ... ok testetsecsvalues (test.data.testCI.QChemCISTest.testetsecsvalues) ... ok testsecs (test.data.testCI.QChemCISTest.testsecs) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/water_cis.out: Customized CIS(RHF)/STO-3G water unittest *** testetenergiesvalues (test.data.testCI.QChemCISTest.testetenergiesvalues) ... ok testetsecsvalues (test.data.testCI.QChemCISTest.testetsecsvalues) ... ok testsecs (test.data.testCI.QChemCISTest.testsecs) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicADF2007.01/MoOCl4-sp.adfout: Customized core electrons unittest *** testcharge (test.data.testCore.ADFCoreTest.testcharge) ... ok testcorrect (test.data.testCore.ADFCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicADF2013.01/MoOCl4-sp.adfout: Customized core electrons unittest *** testcharge (test.data.testCore.ADFCoreTest.testcharge) ... ok testcorrect (test.data.testCore.ADFCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.2/MoOCl4_sp_modified.FChk: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... skipped 'Core electrons do not seem to be available' ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK7.0/MoOCl4-sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/MoOCl4-sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/MoOCl4-sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/MoOCl4-sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/Mo4OCl4-sp.log: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/Mo4OCl4-sp.log: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/MoOCl4-sp.out: Customized core electrons unittest *** testcharge (test.data.testCore.JaguarCoreTest.testcharge) ... ok testcorrect (test.data.testCore.JaguarCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicOpenMolcas18.0/MoOCl4_sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/MoOCl4_sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/MoOCl4_sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicADF2007.01/dvb_gopt_b.adfout: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.ADFGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.ADFGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.ADFGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.ADFGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.ADFGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.ADFGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.ADFGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.ADFGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.ADFGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.ADFGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.ADFGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.ADFGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.ADFGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.ADFGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.ADFGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.ADFGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.ADFGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.ADFGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.ADFGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.ADFGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.ADFGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicADF2013.01/dvb_gopt_b.adfout: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.ADFGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.ADFGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.ADFGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.ADFGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.ADFGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.ADFGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.ADFGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.ADFGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.ADFGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.ADFGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.ADFGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.ADFGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.ADFGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.ADFGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.ADFGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.ADFGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.ADFGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.ADFGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.ADFGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.ADFGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.ADFGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.006s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/dvb_gopt_hf.out: Customzed geometry optimization unittest *** test_success (test.data.testGeoOpt.DALTONGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.DALTONGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.DALTONGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.DALTONGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.DALTONGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.DALTONGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.DALTONGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.DALTONGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.DALTONGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.DALTONGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.DALTONGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.DALTONGeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.DALTONGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.DALTONGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.DALTONGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.006s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/dvb_gopt_ks.out: Customzed geometry optimization unittest *** test_success (test.data.testGeoOpt.DALTONGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.DALTONGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.DALTONGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.DALTONGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.DALTONGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.DALTONGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.DALTONGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.DALTONGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.DALTONGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.DALTONGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.DALTONGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.DALTONGeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.DALTONGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.DALTONGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.DALTONGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.006s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/dvb_gopt_hf.out: Customzed geometry optimization unittest *** test_success (test.data.testGeoOpt.DALTONGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.DALTONGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.DALTONGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.DALTONGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.DALTONGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.DALTONGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.DALTONGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.DALTONGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.DALTONGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.DALTONGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.DALTONGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.DALTONGeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.DALTONGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.DALTONGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.DALTONGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.006s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/dvb_gopt_ks.out: Customzed geometry optimization unittest *** test_success (test.data.testGeoOpt.DALTONGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.DALTONGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.DALTONGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.DALTONGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.DALTONGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.DALTONGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.DALTONGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.DALTONGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.DALTONGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.DALTONGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.DALTONGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.DALTONGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.DALTONGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.DALTONGeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.DALTONGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.DALTONGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.DALTONGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.DALTONGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.006s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK7.0/dvb_gopt_d.out: Generic geometry optimization unittest *** test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/dvb_gopt_hf.out: Generic geometry optimization unittest *** test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/dvb_gopt_ks.out: Generic geometry optimization unittest *** test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicFirefly8.0/dvb_gopt_a.out: Generic geometry optimization unittest *** test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/dvb_gopt_a.out: Generic geometry optimization unittest *** test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/dvb_gopt_a.out: Generic geometry optimization unittest *** test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/dvb_gopt.out: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.GaussianGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GaussianGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GaussianGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GaussianGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GaussianGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GaussianGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GaussianGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GaussianGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GaussianGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GaussianGeoOptTest.testgradsdim) ... ok testgradsorientation (test.data.testGeoOpt.GaussianGeoOptTest.testgradsorientation) Are the orientations for grads and atomcoords are same? ... ok testhomos (test.data.testGeoOpt.GaussianGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GaussianGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GaussianGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GaussianGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GaussianGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GaussianGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GaussianGeoOptTest.testoptstatus) ... ok testscfenergy (test.data.testGeoOpt.GaussianGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GaussianGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GaussianGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GaussianGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 22 tests in 0.007s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_gopt.out: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.GaussianGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GaussianGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GaussianGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GaussianGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GaussianGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GaussianGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GaussianGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GaussianGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GaussianGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GaussianGeoOptTest.testgradsdim) ... ok testgradsorientation (test.data.testGeoOpt.GaussianGeoOptTest.testgradsorientation) Are the orientations for grads and atomcoords are same? ... ok testhomos (test.data.testGeoOpt.GaussianGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GaussianGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GaussianGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GaussianGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GaussianGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GaussianGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GaussianGeoOptTest.testoptstatus) ... ok testscfenergy (test.data.testGeoOpt.GaussianGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GaussianGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GaussianGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GaussianGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 22 tests in 0.007s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar7.0/dvb_gopt_b.out: Generic geometry optimization unittest *** test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/dvb_gopt_hf.out: Generic geometry optimization unittest *** test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/dvb_gopt_ks.out: Generic geometry optimization unittest *** test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicOpenMolcas18.0/dvb_gopt.out: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.MolcasGeoOptTest.test_success) ... skipped 'The parser is still being developed so we skip this test' testatomcoords (test.data.testGeoOpt.MolcasGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.MolcasGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.MolcasGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.MolcasGeoOptTest.testcharge_and_mult) ... skipped 'The parser is still being developed so we skip this test' testcoreelectrons (test.data.testGeoOpt.MolcasGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.MolcasGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.MolcasGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.MolcasGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.MolcasGeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.MolcasGeoOptTest.testhomos) ... skipped 'The parser is still being developed so we skip this test' testmoenergies (test.data.testGeoOpt.MolcasGeoOptTest.testmoenergies) ... skipped 'The parser is still being developed so we skip this test' testnatom (test.data.testGeoOpt.MolcasGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.MolcasGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.MolcasGeoOptTest.testnormalisesym) ... skipped 'The parser is still being developed so we skip this test' testoptdone (test.data.testGeoOpt.MolcasGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.MolcasGeoOptTest.testoptstatus) ... skipped 'The parser is still being developed so we skip this test' testscfenergy (test.data.testGeoOpt.MolcasGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.MolcasGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.MolcasGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.MolcasGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=6) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2006/dvb_gopt.out,dvb_gopt.log: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.MolproGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.MolproGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.MolproGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.MolproGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.MolproGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.MolproGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.MolproGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.MolproGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.MolproGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.MolproGeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.MolproGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.MolproGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.MolproGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.MolproGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.MolproGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.MolproGeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.MolproGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.MolproGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.MolproGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.MolproGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.MolproGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/dvb_gopt.out,dvb_gopt.log: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.MolproGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.MolproGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.MolproGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.MolproGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.MolproGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.MolproGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.MolproGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.MolproGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.MolproGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.MolproGeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.MolproGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.MolproGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.MolproGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.MolproGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.MolproGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.MolproGeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.MolproGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.MolproGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.MolproGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.MolproGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.MolproGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMOPAC2016/dvb_gopt.out: Customized geometry optimization unittest for MOPAC. *** test_success (test.data.testGeoOpt.MOPACGeoOptTest.test_success) ... skipped 'The success status is not parsed yet' testatomcoords (test.data.testGeoOpt.MOPACGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.MOPACGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.MOPACGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.MOPACGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.MOPACGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.MOPACGeoOptTest.testgeotargets) ... skipped 'Not implemented.' testgeovalues_atomcoords (test.data.testGeoOpt.MOPACGeoOptTest.testgeovalues_atomcoords) ... skipped 'Not implemented.' testgeovalues_scfvalues (test.data.testGeoOpt.MOPACGeoOptTest.testgeovalues_scfvalues) ... skipped 'Not implemented.' testgradsdim (test.data.testGeoOpt.MOPACGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.MOPACGeoOptTest.testhomos) ... skipped 'Not implemented.' testmoenergies (test.data.testGeoOpt.MOPACGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.MOPACGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.MOPACGeoOptTest.testnbasis) ... skipped 'Not implemented.' testnormalisesym (test.data.testGeoOpt.MOPACGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.MOPACGeoOptTest.testoptdone) ... skipped 'Not implemented.' testoptstatus (test.data.testGeoOpt.MOPACGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.MOPACGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.MOPACGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.MOPACGeoOptTest.testscftargetdim) ... skipped 'The scftargets attribute is not parsed yet' testscfvaluetype (test.data.testGeoOpt.MOPACGeoOptTest.testscfvaluetype) ... skipped 'The scfvalues attribute is not parsed yet' ---------------------------------------------------------------------- Ran 21 tests in 0.006s OK (skipped=11) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.0/dvb_gopt_hf.out: Customized restricted single point HF unittest *** test_success (test.data.testGeoOpt.NWChemGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.NWChemGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.NWChemGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.NWChemGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.NWChemGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.NWChemGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.NWChemGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.NWChemGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.NWChemGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.NWChemGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.NWChemGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.NWChemGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.NWChemGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.NWChemGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.NWChemGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.0/dvb_gopt_ks.out: Customized restricted single point HF unittest *** test_success (test.data.testGeoOpt.NWChemGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.NWChemGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.NWChemGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.NWChemGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.NWChemGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.NWChemGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.NWChemGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.NWChemGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.NWChemGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.NWChemGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.NWChemGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.NWChemGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.NWChemGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.NWChemGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.NWChemGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.5/dvb_gopt_hf.out: Customized restricted single point HF unittest *** test_success (test.data.testGeoOpt.NWChemGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.NWChemGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.NWChemGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.NWChemGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.NWChemGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.NWChemGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.NWChemGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.NWChemGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.NWChemGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.NWChemGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.NWChemGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.NWChemGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.NWChemGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.NWChemGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.NWChemGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.5/dvb_gopt_ks.out: Customized restricted single point HF unittest *** test_success (test.data.testGeoOpt.NWChemGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.NWChemGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.NWChemGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.NWChemGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.NWChemGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.NWChemGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.NWChemGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.NWChemGeoOptTest.testgradsdim) ... skipped 'Not implemented.' testhomos (test.data.testGeoOpt.NWChemGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.NWChemGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.NWChemGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.NWChemGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.NWChemGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.NWChemGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.NWChemGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.NWChemGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.NWChemGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.NWChemGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/dvb_gopt.out: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.OrcaGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.OrcaGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.OrcaGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.OrcaGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.OrcaGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.OrcaGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.OrcaGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.OrcaGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.OrcaGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.OrcaGeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.OrcaGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.OrcaGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.OrcaGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.OrcaGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.OrcaGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.OrcaGeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.OrcaGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.OrcaGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.OrcaGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.OrcaGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.OrcaGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/dvb_gopt.out: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.OrcaGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.OrcaGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.OrcaGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.OrcaGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.OrcaGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.OrcaGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.OrcaGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.OrcaGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.OrcaGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.OrcaGeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.OrcaGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.OrcaGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.OrcaGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.OrcaGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.OrcaGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.OrcaGeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.OrcaGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.OrcaGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.OrcaGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.OrcaGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.OrcaGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/dvb_gopt.out: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.OrcaGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.OrcaGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.OrcaGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.OrcaGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.OrcaGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.OrcaGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.OrcaGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.OrcaGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.OrcaGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.OrcaGeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.OrcaGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.OrcaGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.OrcaGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.OrcaGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.OrcaGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.OrcaGeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.OrcaGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.OrcaGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.OrcaGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.OrcaGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.OrcaGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/dvb_gopt_rhf.out: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.Psi4GeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.Psi4GeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.Psi4GeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.Psi4GeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.Psi4GeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.Psi4GeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.Psi4GeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.Psi4GeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.Psi4GeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.Psi4GeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.Psi4GeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.Psi4GeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.Psi4GeoOptTest.testoptstatus) ... ok testscfenergy (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.Psi4GeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.Psi4GeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/dvb_gopt_rks.out: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.Psi4GeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.Psi4GeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.Psi4GeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.Psi4GeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.Psi4GeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.Psi4GeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.Psi4GeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.Psi4GeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.Psi4GeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.Psi4GeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.Psi4GeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.Psi4GeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.Psi4GeoOptTest.testoptstatus) ... ok testscfenergy (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.Psi4GeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.Psi4GeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/dvb_gopt_rhf.out: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.Psi4GeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.Psi4GeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.Psi4GeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.Psi4GeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.Psi4GeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.Psi4GeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.Psi4GeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.Psi4GeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.Psi4GeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.Psi4GeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.Psi4GeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.Psi4GeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.Psi4GeoOptTest.testoptstatus) ... ok testscfenergy (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.Psi4GeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.Psi4GeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/dvb_gopt_rks.out: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.Psi4GeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.Psi4GeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.Psi4GeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.Psi4GeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.Psi4GeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.Psi4GeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.Psi4GeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.Psi4GeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.Psi4GeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.Psi4GeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.Psi4GeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.Psi4GeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.Psi4GeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.Psi4GeoOptTest.testoptdone) Has the geometry converged and set optdone to True? ... ok testoptstatus (test.data.testGeoOpt.Psi4GeoOptTest.testoptstatus) ... ok testscfenergy (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.Psi4GeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.Psi4GeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.Psi4GeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/dvb_gopt.out: Generic geometry optimization unittest *** test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/dvb_gopt.out: Generic geometry optimization unittest *** test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.GenericGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.GenericGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.GenericGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.GenericGeoOptTest.testcoreelectrons) ... ok testgeotargets (test.data.testGeoOpt.GenericGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.GenericGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.GenericGeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.GenericGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.GenericGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.GenericGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.GenericGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.GenericGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.GenericGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.GenericGeoOptTest.testoptstatus) ... skipped 'Not implemented.' testscfenergy (test.data.testGeoOpt.GenericGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.GenericGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.GenericGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.GenericGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole5.9/dvb_gopt/basis,dvb_gopt/control,dvb_gopt/mos,dvb_gopt/job.last: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.TurbomoleGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.TurbomoleGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.TurbomoleGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.TurbomoleGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.TurbomoleGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.TurbomoleGeoOptTest.testcoreelectrons) ... skipped 'The parser is still being developed so we skip this test' testgeotargets (test.data.testGeoOpt.TurbomoleGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.TurbomoleGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.TurbomoleGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.TurbomoleGeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.TurbomoleGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.TurbomoleGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.TurbomoleGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.TurbomoleGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.TurbomoleGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.TurbomoleGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.TurbomoleGeoOptTest.testoptstatus) Is optstatus consistent with geovalues and reasonable? ... ok testscfenergy (test.data.testGeoOpt.TurbomoleGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.TurbomoleGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.TurbomoleGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.TurbomoleGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.5/dvb_gopt/basis,dvb_gopt/control,dvb_gopt/mos,dvb_gopt/job.0,dvb_gopt/job.1,dvb_gopt/job.2,dvb_gopt/job.3,dvb_gopt/job.4,dvb_gopt/job.5,dvb_gopt/job.last: Customized geometry optimization unittest *** test_success (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.test_success) ... ok testatomcoords (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testatomcoords) Are atomcoords consistent with natom and Angstroms? ... ok testatomcoords_units (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatomnos (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testcoreelectrons) ... skipped 'The parser is still being developed so we skip this test' testgeotargets (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testgeotargets) ... ok testgeovalues_atomcoords (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testgeovalues_atomcoords) ... ok testgeovalues_scfvalues (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testgeovalues_scfvalues) ... ok testgradsdim (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testgradsdim) ... ok testhomos (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testhomos) ... ok testmoenergies (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testmoenergies) ... ok testnatom (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testnbasis) ... ok testnormalisesym (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testnormalisesym) ... ok testoptdone (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testoptdone) ... ok testoptstatus (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testoptstatus) ... ok testscfenergy (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testscfenergy) Is the SCF energy close to target? ... ok testscfenergydim (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testscfenergydim) Is the number of SCF energies consistent with atomcoords? ... ok testscftargetdim (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testscftargetdim) ... ok testscfvaluetype (test.data.testGeoOpt.TurbomoleKeepGeoOptTest.testscfvaluetype) ... ok ---------------------------------------------------------------------- Ran 21 tests in 0.007s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK7.0/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK7.0/water_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/water_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/water_mp2.log: Customized MP2 unittest *** testnocoeffs (test.data.testMP.GaussianMP2Test.testnocoeffs) Are natural orbital occupation numbers the right size? ... ok testsign (test.data.testMP.GaussianMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GaussianMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/water_mp2.log: Customized MP2 unittest *** testnocoeffs (test.data.testMP.GaussianMP2Test.testnocoeffs) Are natural orbital occupation numbers the right size? ... ok testsign (test.data.testMP.GaussianMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GaussianMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/water_mp3.log: Customized MP3 unittest *** testsign (test.data.testMP.GaussianMP3Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GaussianMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/water_mp3.log: Customized MP3 unittest *** testsign (test.data.testMP.GaussianMP3Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GaussianMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/water_mp4sdq.log: Customized MP4-SDQ unittest *** testsign (test.data.testMP.GaussianMP4SDQTest.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GaussianMP4SDQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/water_mp4sdq.log: Customized MP4-SDQ unittest *** testsign (test.data.testMP.GaussianMP4SDQTest.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GaussianMP4SDQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/water_mp4.log: Customized MP4-SDTQ unittest *** testsign (test.data.testMP.GaussianMP4SDTQTest.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GaussianMP4SDTQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/water_mp4.log: Customized MP4-SDTQ unittest *** testsign (test.data.testMP.GaussianMP4SDTQTest.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GaussianMP4SDTQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/water_mp5.log: Generic MP5 unittest *** testsign (test.data.testMP.GenericMP5Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP5Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/water_mp5.log: Generic MP5 unittest *** testsign (test.data.testMP.GenericMP5Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP5Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar7.0/water_lmp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/water_lmp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicFirefly8.0/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2006/h2o_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/h2o_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2006/h2o_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/h2o_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2006/h2o_mp4.out: Generic MP4(SDTQ) unittest *** testsign (test.data.testMP.GenericMP4SDTQTest.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP4SDTQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/h2o_mp4.out: Generic MP4(SDTQ) unittest *** testsign (test.data.testMP.GenericMP4SDTQTest.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP4SDTQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicOpenMolcas18.0/water_mbpt2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.0/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.5/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/water_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/water_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/water_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/water_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/water_mp4sdq.out: Customized MP4-SDQ unittest *** testsign (test.data.testMP.QChemMP4SDQTest.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.QChemMP4SDQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/water_mp4.out: Customized MP4-SD(T)Q unittest *** testsign (test.data.testMP.QChemMP4SDTQTest.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.QChemMP4SDTQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/water_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/water_mp4sdq.out: Customized MP4-SDQ unittest *** testsign (test.data.testMP.QChemMP4SDQTest.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.QChemMP4SDQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/water_mp4.out: Customized MP4-SD(T)Q unittest *** testsign (test.data.testMP.QChemMP4SDTQTest.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.QChemMP4SDTQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.2/water_mp2/basis,water_mp2/control,water_mp2/coord,water_mp2/mos,water_mp2/dscf.out,water_mp2/ccsdf12.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/water_mp2/basis,water_mp2/control,water_mp2/coord,water_mp2/mos,water_mp2/dscf.out,water_mp2/ccsdf12.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/water_mp2_rimp2/basis,water_mp2_rimp2/control,water_mp2_rimp2/coord,water_mp2_rimp2/mos,water_mp2_rimp2/dscf.out,water_mp2_rimp2/rimp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/water_mp2_ricc2/basis,water_mp2_ricc2/control,water_mp2_ricc2/coord,water_mp2_ricc2/mos,water_mp2_ricc2/dscf.out,water_mp2_ricc2/ricc2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/water_mp3/basis,water_mp3/control,water_mp3/coord,water_mp3/mos,water_mp3/dscf.out,water_mp3/ccsdf12.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/dvb_nmr.out: Generic NMR unittest *** testsize (test.data.testNMR.GenericNMRTest.testsize) Check to make sure there are the correct number of tensors parsed ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/dvb_nmr.out: Generic NMR unittest *** testsize (test.data.testNMR.GenericNMRTest.testsize) Check to make sure there are the correct number of tensors parsed ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/dvb_nmr.out: Generic NMR unittest *** testsize (test.data.testNMR.GenericNMRTest.testsize) Check to make sure there are the correct number of tensors parsed ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/Trp_polar_abalnr.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/Trp_polar_tdhf.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/Trp_polar_tdhf.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/Trp_polar.log: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/Trp_polar.log: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/Trp_polar_G16C01.log: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.5/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/dvb_scan.log: Generic relaxed potential energy surface scan unittest. *** testindices (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testindices) ... ok testoptdone (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testoptdone) ... ok testoptstatus (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testoptstatus) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/dvb_scan.log: Customized relaxed potential energy surface scan unittest *** testindices (test.data.testScan.GaussianRelaxedScanTest.testindices) ... ok testnumindices (test.data.testScan.GaussianRelaxedScanTest.testnumindices) ... ok testoptstatus (test.data.testScan.GaussianRelaxedScanTest.testoptstatus) ... ok testscanenergies (test.data.testScan.GaussianRelaxedScanTest.testscanenergies) ... ok testscannames (test.data.testScan.GaussianRelaxedScanTest.testscannames) ... ok testscanparm (test.data.testScan.GaussianRelaxedScanTest.testscanparm) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_scan_relaxed.log: Generic relaxed potential energy surface scan unittest. *** testindices (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testindices) ... ok testoptdone (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testoptdone) ... ok testoptstatus (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testoptstatus) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_scan_relaxed.log: Customized relaxed potential energy surface scan unittest *** testindices (test.data.testScan.GaussianRelaxedScanTest.testindices) ... ok testnumindices (test.data.testScan.GaussianRelaxedScanTest.testnumindices) ... ok testoptstatus (test.data.testScan.GaussianRelaxedScanTest.testoptstatus) ... ok testscanenergies (test.data.testScan.GaussianRelaxedScanTest.testscanenergies) ... ok testscannames (test.data.testScan.GaussianRelaxedScanTest.testscannames) ... ok testscanparm (test.data.testScan.GaussianRelaxedScanTest.testscanparm) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_scan_unrelaxed.log: Customized unrelaxed potential energy surface scan unittest *** testscanenergies (test.data.testScan.GaussianUnrelaxedScanTest.testscanenergies) ... ok testscannames (test.data.testScan.GaussianUnrelaxedScanTest.testscannames) ... ok testscanparm (test.data.testScan.GaussianUnrelaxedScanTest.testscanparm) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/dvb_scan.out: Generic relaxed potential energy surface scan unittest. *** testindices (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testindices) ... ok testoptdone (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testoptdone) ... ok testoptstatus (test.data.testScan.GenericRelaxedScanTest_optdone_bool.testoptstatus) ... skipped 'Not implemented' ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/dvb_scan.out: Customized relaxed potential energy surface scan unittest *** testindices (test.data.testScan.JaguarRelaxedScanTest.testindices) ... skipped 'Does not work as expected' testnumindices (test.data.testScan.JaguarRelaxedScanTest.testnumindices) ... ok testoptstatus (test.data.testScan.JaguarRelaxedScanTest.testoptstatus) ... skipped 'Not implemented' testscanenergies (test.data.testScan.JaguarRelaxedScanTest.testscanenergies) ... skipped 'Not implemented' testscannames (test.data.testScan.JaguarRelaxedScanTest.testscannames) ... skipped 'Not implemented' testscanparm (test.data.testScan.JaguarRelaxedScanTest.testscanparm) ... skipped 'Not implemented' ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=5) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/dvb_scan.out: Generic relaxed potential energy surface scan unittest. *** testindices (test.data.testScan.GenericRelaxedScanTest.testindices) ... skipped 'Does not work as expected' testnumindices (test.data.testScan.GenericRelaxedScanTest.testnumindices) ... ok testoptstatus (test.data.testScan.GenericRelaxedScanTest.testoptstatus) ... skipped 'Not implemented' testscanenergies (test.data.testScan.GenericRelaxedScanTest.testscanenergies) ... skipped 'Not implemented' testscannames (test.data.testScan.GenericRelaxedScanTest.testscannames) ... ok testscanparm (test.data.testScan.GenericRelaxedScanTest.testscanparm) ... skipped 'Not implemented' ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/dvb_scan_unrelaxed.out: Generic unrelaxed potential energy surface scan unittest. *** testscanenergies (test.data.testScan.GenericUnrelaxedScanTest.testscanenergies) ... skipped 'Not implemented' testscannames (test.data.testScan.GenericUnrelaxedScanTest.testscannames) ... ok testscanparm (test.data.testScan.GenericUnrelaxedScanTest.testscanparm) ... skipped 'Not implemented' ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/dvb_scan.out: Generic relaxed potential energy surface scan unittest. *** testindices (test.data.testScan.GenericRelaxedScanTest.testindices) ... skipped 'Does not work as expected' testnumindices (test.data.testScan.GenericRelaxedScanTest.testnumindices) ... ok testoptstatus (test.data.testScan.GenericRelaxedScanTest.testoptstatus) ... skipped 'Not implemented' testscanenergies (test.data.testScan.GenericRelaxedScanTest.testscanenergies) ... skipped 'Not implemented' testscannames (test.data.testScan.GenericRelaxedScanTest.testscannames) ... ok testscanparm (test.data.testScan.GenericRelaxedScanTest.testscanparm) ... skipped 'Not implemented' ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/dvb_scan_unrelaxed.out: Generic unrelaxed potential energy surface scan unittest. *** testscanenergies (test.data.testScan.GenericUnrelaxedScanTest.testscanenergies) ... skipped 'Not implemented' testscannames (test.data.testScan.GenericUnrelaxedScanTest.testscannames) ... ok testscanparm (test.data.testScan.GenericUnrelaxedScanTest.testscanparm) ... skipped 'Not implemented' ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicADF2007.01/dvb_sp_b.adfout: Customized restricted single point unittest *** testaooverlaps (test.data.testSP.ADFSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.ADFSPTest.testatombasis) ... skipped 'ADF parser does not extract atombasis' testatomcharges (test.data.testSP.ADFSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.ADFSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.ADFSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.ADFSPTest.testatommasses) ... ok testatomnos (test.data.testSP.ADFSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.ADFSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.ADFSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.ADFSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.ADFSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.ADFSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.ADFSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.ADFSPTest.testfornoormo) ... ok testfoverlaps (test.data.testSP.ADFSPTest.testfoverlaps) Are the dims and values of the fragment orbital overlap matrix correct? ... ok testhomos (test.data.testSP.ADFSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.ADFSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.ADFSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.ADFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.ADFSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.ADFSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.ADFSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.ADFSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.ADFSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.ADFSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.ADFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.ADFSPTest.testmoments) ... ok testnatom (test.data.testSP.ADFSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.ADFSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.ADFSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.ADFSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.ADFSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.ADFSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.ADFSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.ADFSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.ADFSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 36 tests in 0.009s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicADF2013.01/dvb_sp_b.adfout: Customized restricted single point unittest *** testaooverlaps (test.data.testSP.ADFSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.ADFSPTest.testatombasis) ... skipped 'ADF parser does not extract atombasis' testatomcharges (test.data.testSP.ADFSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.ADFSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.ADFSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.ADFSPTest.testatommasses) ... ok testatomnos (test.data.testSP.ADFSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.ADFSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.ADFSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.ADFSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.ADFSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.ADFSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.ADFSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.ADFSPTest.testfornoormo) ... ok testfoverlaps (test.data.testSP.ADFSPTest.testfoverlaps) Are the dims and values of the fragment orbital overlap matrix correct? ... ok testhomos (test.data.testSP.ADFSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.ADFSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.ADFSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.ADFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.ADFSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.ADFSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.ADFSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.ADFSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.ADFSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.ADFSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.ADFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.ADFSPTest.testmoments) ... ok testnatom (test.data.testSP.ADFSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.ADFSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.ADFSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.ADFSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.ADFSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.ADFSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.ADFSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.ADFSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.ADFSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 36 tests in 0.009s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/dvb_sp_hf.out: None *** testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... skipped 'To print: **INTEGRALS\n.PROPRI' testatombasis (test.data.testSP.GenericHFSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericHFSPTest.testatomcharges) ... skipped 'DALTON has a very low accuracy for the printed values of all populations (2 decimals rounded in a weird way), so let it slide for now' testatomcoords (test.data.testSP.GenericHFSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericHFSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericHFSPTest.testatommasses) ... ok testatomnos (test.data.testSP.GenericHFSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericHFSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericHFSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericHFSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet' testdimnoccnos (test.data.testSP.GenericHFSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericHFSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericHFSPTest.testfirstmoenergy) Is the lowest energy molecular orbital within the target? ... ok testfornoormo (test.data.testSP.GenericHFSPTest.testfornoormo) ... skipped 'mocoeffs not implemented yet' testhomos (test.data.testSP.GenericHFSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericHFSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericHFSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GenericHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericHFSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericHFSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericHFSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericHFSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericHFSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericHFSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericHFSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericHFSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericHFSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericHFSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericHFSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericHFSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericHFSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericHFSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=6) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/dvb_sp_ks.out: Generic restricted single point unittest *** testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... skipped 'To print: **INTEGRALS\n.PROPRI' testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... skipped 'DALTON has a very low accuracy for the printed values of all populations (2 decimals rounded in a weird way), so let it slide for now' testatomcoords (test.data.testSP.GenericSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... ok testatomnos (test.data.testSP.GenericSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet' testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... skipped 'mocoeffs not implemented yet' testhomos (test.data.testSP.GenericSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=6) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/dvb_sp_hf.out: None *** testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... skipped 'To print: **INTEGRALS\n.PROPRI' testatombasis (test.data.testSP.GenericHFSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericHFSPTest.testatomcharges) ... skipped 'DALTON has a very low accuracy for the printed values of all populations (2 decimals rounded in a weird way), so let it slide for now' testatomcoords (test.data.testSP.GenericHFSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericHFSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericHFSPTest.testatommasses) ... ok testatomnos (test.data.testSP.GenericHFSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericHFSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericHFSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericHFSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet' testdimnoccnos (test.data.testSP.GenericHFSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericHFSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericHFSPTest.testfirstmoenergy) Is the lowest energy molecular orbital within the target? ... ok testfornoormo (test.data.testSP.GenericHFSPTest.testfornoormo) ... skipped 'mocoeffs not implemented yet' testhomos (test.data.testSP.GenericHFSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericHFSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericHFSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GenericHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericHFSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericHFSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericHFSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericHFSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericHFSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericHFSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericHFSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericHFSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericHFSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericHFSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericHFSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericHFSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericHFSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericHFSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=6) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/dvb_sp_ks.out: Generic restricted single point unittest *** testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... skipped 'To print: **INTEGRALS\n.PROPRI' testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... skipped 'DALTON has a very low accuracy for the printed values of all populations (2 decimals rounded in a weird way), so let it slide for now' testatomcoords (test.data.testSP.GenericSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... ok testatomnos (test.data.testSP.GenericSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet' testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... skipped 'mocoeffs not implemented yet' testhomos (test.data.testSP.GenericSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=6) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.2/dvb_sp_modified.FChk: Generic restricted single point unittest *** testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... skipped 'The parser is still being developed so we skip this test' testatomcoords (test.data.testSP.GenericSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'Formatted checkpoint files do not have a section for atommasses' testatomnos (test.data.testSP.GenericSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GenericSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'Formatted checkpoint files do not have an input file section' testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... skipped 'Formatted Checkpoint files do not have section for legacy package version' testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... skipped 'Formatted Checkpoint files do not have section for package version' testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... skipped 'point group symmetry cannot be printed' testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... skipped 'point group symmetry cannot be printed' testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericSPTest.testmoments) ... skipped 'The parser is still being developed so we skip this test' testnatom (test.data.testSP.GenericSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... skipped 'Formatted Checkpoint files do not have a section for SCF energy' testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... skipped 'Formatted Checkpoint files do not have a section for SCF convergence' testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... skipped 'Formatted Checkpoint files do not have a section for SCF convergence' testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... skipped 'Formatted Checkpoint files do not have a section for SCF energy' testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... skipped 'Formatted checkpoint files do not have a section for symmetry' testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.009s OK (skipped=14) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK7.0/dvb_sp_b.out: Generic restricted single point unittest *** testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GenericSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.GenericSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GenericSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/dvb_sp_hf.out: None *** testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.GenericHFSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericHFSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GenericHFSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericHFSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericHFSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.GenericHFSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericHFSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericHFSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericHFSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GenericHFSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericHFSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericHFSPTest.testfirstmoenergy) Is the lowest energy molecular orbital within the target? ... ok testfornoormo (test.data.testSP.GenericHFSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GenericHFSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericHFSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericHFSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.GenericHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericHFSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericHFSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericHFSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericHFSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericHFSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericHFSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericHFSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericHFSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericHFSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericHFSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericHFSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericHFSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericHFSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericHFSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/dvb_sp_ks.out: Generic restricted single point unittest *** testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GenericSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.GenericSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GenericSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicFirefly8.0/dvb_sp.out: None *** testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.GenericHFSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericHFSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GenericHFSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericHFSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericHFSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.GenericHFSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericHFSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericHFSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericHFSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GenericHFSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericHFSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericHFSPTest.testfirstmoenergy) Is the lowest energy molecular orbital within the target? ... ok testfornoormo (test.data.testSP.GenericHFSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GenericHFSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericHFSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericHFSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GenericHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericHFSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericHFSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericHFSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericHFSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericHFSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericHFSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericHFSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericHFSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericHFSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericHFSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericHFSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericHFSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericHFSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericHFSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/dvb_sp.out: Generic restricted single point unittest *** testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GenericSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.GenericSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GenericSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/dvb_sp.out: Generic restricted single point unittest *** testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GenericSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.GenericSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GenericSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/dvb_sp.out: Customized restricted single point unittest *** testaooverlaps (test.data.testSP.GaussianSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.GaussianSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GaussianSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GaussianSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GaussianSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GaussianSPTest.testatommasses) ... ok testatomnos (test.data.testSP.GaussianSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GaussianSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GaussianSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GaussianSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GaussianSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GaussianSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GaussianSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.GaussianSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GaussianSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GaussianSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GaussianSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GaussianSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GaussianSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GaussianSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GaussianSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GaussianSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GaussianSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GaussianSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GaussianSPTest.testmetadata_times) ... ok testmoments (test.data.testSP.GaussianSPTest.testmoments) ... skipped 'Logfile needs to be updated' testnatom (test.data.testSP.GaussianSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GaussianSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GaussianSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GaussianSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GaussianSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GaussianSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GaussianSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GaussianSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GaussianSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_sp.out: Customized restricted single point unittest *** testaooverlaps (test.data.testSP.GaussianSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.GaussianSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GaussianSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GaussianSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GaussianSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GaussianSPTest.testatommasses) ... ok testatomnos (test.data.testSP.GaussianSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GaussianSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GaussianSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GaussianSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GaussianSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GaussianSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GaussianSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.GaussianSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GaussianSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GaussianSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GaussianSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GaussianSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GaussianSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GaussianSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GaussianSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GaussianSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GaussianSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GaussianSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GaussianSPTest.testmetadata_times) ... ok testmoments (test.data.testSP.GaussianSPTest.testmoments) ... skipped 'Logfile needs to be updated' testnatom (test.data.testSP.GaussianSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GaussianSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GaussianSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GaussianSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GaussianSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GaussianSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GaussianSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GaussianSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GaussianSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_sp_no.out: Customized restricted single point unittest *** testaooverlaps (test.data.testSP.GaussianSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.GaussianSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GaussianSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GaussianSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GaussianSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GaussianSPTest.testatommasses) ... ok testatomnos (test.data.testSP.GaussianSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GaussianSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GaussianSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GaussianSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GaussianSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GaussianSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GaussianSPTest.testfirstmoenergy) ... skipped 'no energies for natural orbitals' testfornoormo (test.data.testSP.GaussianSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GaussianSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GaussianSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GaussianSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GaussianSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GaussianSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GaussianSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GaussianSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GaussianSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GaussianSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GaussianSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GaussianSPTest.testmetadata_times) ... ok testmoments (test.data.testSP.GaussianSPTest.testmoments) ... skipped 'Logfile needs to be updated' testnatom (test.data.testSP.GaussianSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GaussianSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GaussianSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GaussianSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GaussianSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GaussianSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GaussianSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GaussianSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GaussianSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.009s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar7.0/dvb_sp.out: Customized restricted single point unittest *** testaooverlaps (test.data.testSP.Jaguar7SPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.Jaguar7SPTest.testatombasis) ... skipped 'Data file does not contain enough information. Can we make a new one?' testatomcharges (test.data.testSP.Jaguar7SPTest.testatomcharges) ... skipped 'We did not print the atomic partial charges in the unit tests for this version' testatomcoords (test.data.testSP.Jaguar7SPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.Jaguar7SPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.Jaguar7SPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.Jaguar7SPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.Jaguar7SPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.Jaguar7SPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.Jaguar7SPTest.testdimmocoeffs) ... skipped 'Data file does not contain enough information. Can we make a new one?' testdimnoccnos (test.data.testSP.Jaguar7SPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.Jaguar7SPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.Jaguar7SPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.Jaguar7SPTest.testfornoormo) ... skipped 'Data file does not contain enough information. Can we make a new one?' testhomos (test.data.testSP.Jaguar7SPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.Jaguar7SPTest.testlengthmoenergies) Is the number of evalues equal to the number of occ. MOs + 10? ... ok testmetadata_basis_set (test.data.testSP.Jaguar7SPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.Jaguar7SPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.Jaguar7SPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.Jaguar7SPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.Jaguar7SPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.Jaguar7SPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.Jaguar7SPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.Jaguar7SPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.Jaguar7SPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.Jaguar7SPTest.testmoments) ... skipped 'No dipole moments in the logfile' testnatom (test.data.testSP.Jaguar7SPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.Jaguar7SPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.Jaguar7SPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.Jaguar7SPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.Jaguar7SPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.Jaguar7SPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.Jaguar7SPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.Jaguar7SPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.Jaguar7SPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=8) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/dvb_sp_hf.out: Customized restricted single point KS unittest *** testaooverlaps (test.data.testSP.JaguarHFSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.JaguarHFSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.JaguarHFSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.JaguarHFSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.JaguarHFSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.JaguarHFSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.JaguarHFSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.JaguarHFSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.JaguarHFSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.JaguarHFSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.JaguarHFSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.JaguarHFSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.JaguarHFSPTest.testfirstmoenergy) Is the lowest energy molecular orbital within the target? ... ok testfornoormo (test.data.testSP.JaguarHFSPTest.testfornoormo) ... ok testhomos (test.data.testSP.JaguarHFSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.JaguarHFSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.JaguarHFSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.JaguarHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.JaguarHFSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.JaguarHFSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.JaguarHFSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.JaguarHFSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.JaguarHFSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.JaguarHFSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.JaguarHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.JaguarHFSPTest.testmoments) ... skipped 'No dipole moments in the logfile' testnatom (test.data.testSP.JaguarHFSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.JaguarHFSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.JaguarHFSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.JaguarHFSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.JaguarHFSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.JaguarHFSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.JaguarHFSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.JaguarHFSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.JaguarHFSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.009s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/dvb_sp_ks.out: Customized restricted single point KS unittest *** testaooverlaps (test.data.testSP.JaguarSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.JaguarSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.JaguarSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.JaguarSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.JaguarSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.JaguarSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.JaguarSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.JaguarSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.JaguarSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.JaguarSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.JaguarSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.JaguarSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.JaguarSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.JaguarSPTest.testfornoormo) ... ok testhomos (test.data.testSP.JaguarSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.JaguarSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.JaguarSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.JaguarSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.JaguarSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.JaguarSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.JaguarSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.JaguarSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.JaguarSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.JaguarSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.JaguarSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.JaguarSPTest.testmoments) ... skipped 'No dipole moments in the logfile' testnatom (test.data.testSP.JaguarSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.JaguarSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.JaguarSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.JaguarSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.JaguarSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.JaguarSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.JaguarSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.JaguarSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.JaguarSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.009s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicOpenMolcas18.0/dvb_sp.out: Customized restricted single point unittest *** testaooverlaps (test.data.testSP.MolcasSPTest.testaooverlaps) ... skipped 'The parser is still being developed so we skip this test' testatombasis (test.data.testSP.MolcasSPTest.testatombasis) ... skipped 'The parser is still being developed so we skip this test' testatomcharges (test.data.testSP.MolcasSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.MolcasSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.MolcasSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.MolcasSPTest.testatommasses) ... skipped 'The parser is still being developed so we skip this test' testatomnos (test.data.testSP.MolcasSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.MolcasSPTest.testcharge_and_mult) ... skipped 'missing mult' testcoreelectrons (test.data.testSP.MolcasSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.MolcasSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.MolcasSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.MolcasSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.MolcasSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.MolcasSPTest.testfornoormo) ... ok testhomos (test.data.testSP.MolcasSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.MolcasSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.MolcasSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.MolcasSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.MolcasSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.MolcasSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.MolcasSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.MolcasSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.MolcasSPTest.testmetadata_symmetry_detected) ... skipped 'reading point group symmetry and name is not implemented' testmetadata_symmetry_used (test.data.testSP.MolcasSPTest.testmetadata_symmetry_used) ... skipped 'reading point group symmetry and name is not implemented' testmetadata_times (test.data.testSP.MolcasSPTest.testmetadata_times) ... skipped ' reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.MolcasSPTest.testmoments) ... skipped 'The parser is still being developed so we skip this test' testnatom (test.data.testSP.MolcasSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.MolcasSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.MolcasSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.MolcasSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.MolcasSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.MolcasSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.MolcasSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.MolcasSPTest.testsymlabels) ... skipped 'The parser is still being developed so we skip this test' testtypemoenergies (test.data.testSP.MolcasSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=11) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2006/dvb_sphf.out: Customized restricted single point HF unittest *** testaooverlaps (test.data.testSP.MolproSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.MolproSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.MolproSPTest.testatomcharges) ... skipped "These tests were run a long time ago and since we don't have access to Molpro 2006 anymore, we can skip this test (it is tested in 2012)" testatomcoords (test.data.testSP.MolproSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.MolproSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.MolproSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.MolproSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.MolproSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.MolproSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.MolproSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.MolproSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.MolproSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.MolproSPTest.testfirstmoenergy) Is the lowest energy molecular orbital within the target? ... ok testfornoormo (test.data.testSP.MolproSPTest.testfornoormo) ... ok testhomos (test.data.testSP.MolproSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.MolproSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.MolproSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.MolproSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.MolproSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.MolproSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.MolproSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.MolproSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.MolproSPTest.testmetadata_symmetry_detected) ... skipped 'reading point group symmetry and name is not implemented' testmetadata_symmetry_used (test.data.testSP.MolproSPTest.testmetadata_symmetry_used) ... skipped 'reading point group symmetry and name is not implemented' testmetadata_times (test.data.testSP.MolproSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.MolproSPTest.testmoments) ... ok testnatom (test.data.testSP.MolproSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.MolproSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.MolproSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.MolproSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.MolproSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.MolproSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.MolproSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.MolproSPTest.testsymlabels) ... skipped '?' testtypemoenergies (test.data.testSP.MolproSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.009s OK (skipped=7) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/dvb_sphf.out: Customized restricted single point HF unittest *** testaooverlaps (test.data.testSP.MolproSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.MolproSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.MolproSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.MolproSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.MolproSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.MolproSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.MolproSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.MolproSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.MolproSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.MolproSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.MolproSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.MolproSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.MolproSPTest.testfirstmoenergy) Is the lowest energy molecular orbital within the target? ... ok testfornoormo (test.data.testSP.MolproSPTest.testfornoormo) ... ok testhomos (test.data.testSP.MolproSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.MolproSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.MolproSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.MolproSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.MolproSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.MolproSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.MolproSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.MolproSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.MolproSPTest.testmetadata_symmetry_detected) ... skipped 'reading point group symmetry and name is not implemented' testmetadata_symmetry_used (test.data.testSP.MolproSPTest.testmetadata_symmetry_used) ... skipped 'reading point group symmetry and name is not implemented' testmetadata_times (test.data.testSP.MolproSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.MolproSPTest.testmoments) ... ok testnatom (test.data.testSP.MolproSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.MolproSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.MolproSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.MolproSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.MolproSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.MolproSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.MolproSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.MolproSPTest.testsymlabels) ... skipped '?' testtypemoenergies (test.data.testSP.MolproSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=6) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.0/dvb_sp_hf.out: None *** testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.GenericHFSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericHFSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GenericHFSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericHFSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericHFSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.GenericHFSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericHFSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericHFSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericHFSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GenericHFSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericHFSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericHFSPTest.testfirstmoenergy) Is the lowest energy molecular orbital within the target? ... ok testfornoormo (test.data.testSP.GenericHFSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GenericHFSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericHFSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericHFSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GenericHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericHFSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericHFSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericHFSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericHFSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericHFSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericHFSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericHFSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericHFSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericHFSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericHFSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericHFSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericHFSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericHFSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericHFSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.0/dvb_sp_ks.out: Customized restricted single point unittest *** testaooverlaps (test.data.testSP.NWChemKSSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.NWChemKSSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.NWChemKSSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.NWChemKSSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.NWChemKSSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.NWChemKSSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.NWChemKSSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.NWChemKSSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.NWChemKSSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.NWChemKSSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.NWChemKSSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.NWChemKSSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.NWChemKSSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.NWChemKSSPTest.testfornoormo) ... ok testhomos (test.data.testSP.NWChemKSSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.NWChemKSSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.NWChemKSSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.NWChemKSSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.NWChemKSSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.NWChemKSSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.NWChemKSSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.NWChemKSSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.NWChemKSSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.NWChemKSSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.NWChemKSSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.NWChemKSSPTest.testmoments) ... ok testnatom (test.data.testSP.NWChemKSSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.NWChemKSSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.NWChemKSSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.NWChemKSSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.NWChemKSSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.NWChemKSSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.NWChemKSSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.NWChemKSSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.NWChemKSSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.5/dvb_sp_hf.out: None *** testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.GenericHFSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericHFSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GenericHFSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericHFSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericHFSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.GenericHFSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericHFSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericHFSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericHFSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GenericHFSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericHFSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericHFSPTest.testfirstmoenergy) Is the lowest energy molecular orbital within the target? ... ok testfornoormo (test.data.testSP.GenericHFSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GenericHFSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericHFSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericHFSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GenericHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericHFSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericHFSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericHFSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericHFSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericHFSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.GenericHFSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericHFSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericHFSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericHFSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericHFSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericHFSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericHFSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericHFSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericHFSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericHFSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.5/dvb_sp_ks.out: Customized restricted single point unittest *** testaooverlaps (test.data.testSP.NWChemKSSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.NWChemKSSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.NWChemKSSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.NWChemKSSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.NWChemKSSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.NWChemKSSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.NWChemKSSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.NWChemKSSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.NWChemKSSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.NWChemKSSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.NWChemKSSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.NWChemKSSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.NWChemKSSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.NWChemKSSPTest.testfornoormo) ... ok testhomos (test.data.testSP.NWChemKSSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.NWChemKSSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.NWChemKSSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.NWChemKSSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.NWChemKSSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.NWChemKSSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.NWChemKSSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.NWChemKSSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.NWChemKSSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.NWChemKSSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.NWChemKSSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.NWChemKSSPTest.testmoments) ... ok testnatom (test.data.testSP.NWChemKSSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.NWChemKSSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.NWChemKSSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.NWChemKSSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.NWChemKSSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.NWChemKSSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.NWChemKSSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.NWChemKSSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.NWChemKSSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/dvb_sp.out: Customized restricted single point unittest *** testaooverlaps (test.data.testSP.OrcaSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.OrcaSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.OrcaSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.OrcaSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.OrcaSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.OrcaSPTest.testatommasses) ... ok testatomnos (test.data.testSP.OrcaSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.OrcaSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.OrcaSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.OrcaSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.OrcaSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.OrcaSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.OrcaSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.OrcaSPTest.testfornoormo) ... ok testhomos (test.data.testSP.OrcaSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.OrcaSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.OrcaSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.OrcaSPTest.testmetadata_input_file) ... ok testmetadata_legacy_package_version (test.data.testSP.OrcaSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.OrcaSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.OrcaSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.OrcaSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.OrcaSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.OrcaSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.OrcaSPTest.testmetadata_times) ... skipped 'reading cpu not implemented for this parser, wall time not available' testmoments (test.data.testSP.OrcaSPTest.testmoments) ... ok testnatom (test.data.testSP.OrcaSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.OrcaSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.OrcaSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.OrcaSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.OrcaSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.OrcaSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.OrcaSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.OrcaSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.OrcaSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/dvb_sp.out: Customized restricted single point unittest *** testaooverlaps (test.data.testSP.OrcaSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.OrcaSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.OrcaSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.OrcaSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.OrcaSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.OrcaSPTest.testatommasses) ... ok testatomnos (test.data.testSP.OrcaSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.OrcaSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.OrcaSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.OrcaSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.OrcaSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.OrcaSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.OrcaSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.OrcaSPTest.testfornoormo) ... ok testhomos (test.data.testSP.OrcaSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.OrcaSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.OrcaSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.OrcaSPTest.testmetadata_input_file) ... ok testmetadata_legacy_package_version (test.data.testSP.OrcaSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.OrcaSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.OrcaSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.OrcaSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.OrcaSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.OrcaSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.OrcaSPTest.testmetadata_times) ... skipped 'reading cpu not implemented for this parser, wall time not available' testmoments (test.data.testSP.OrcaSPTest.testmoments) ... ok testnatom (test.data.testSP.OrcaSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.OrcaSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.OrcaSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.OrcaSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.OrcaSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.OrcaSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.OrcaSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.OrcaSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.OrcaSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.010s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/dvb_sp.out: Customized restricted single point unittest *** testaooverlaps (test.data.testSP.OrcaSPTest.testaooverlaps) ... ok testatombasis (test.data.testSP.OrcaSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.OrcaSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.OrcaSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.OrcaSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.OrcaSPTest.testatommasses) ... ok testatomnos (test.data.testSP.OrcaSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.OrcaSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.OrcaSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.OrcaSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.OrcaSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.OrcaSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.OrcaSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.OrcaSPTest.testfornoormo) ... ok testhomos (test.data.testSP.OrcaSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.OrcaSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.OrcaSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.OrcaSPTest.testmetadata_input_file) ... ok testmetadata_legacy_package_version (test.data.testSP.OrcaSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.OrcaSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.OrcaSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.OrcaSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.OrcaSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.OrcaSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.OrcaSPTest.testmetadata_times) ... skipped 'reading cpu not implemented for this parser, wall time not available' testmoments (test.data.testSP.OrcaSPTest.testmoments) ... ok testnatom (test.data.testSP.OrcaSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.OrcaSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.OrcaSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.OrcaSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.OrcaSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.OrcaSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.OrcaSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.OrcaSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.OrcaSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.009s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/dvb_sp_rhf.out: Customized restricted single point HF unittest *** testaooverlaps (test.data.testSP.PsiHFSPTest.testaooverlaps) ... skipped 'Psi4 does not currently have the option to print the overlap matrix' testatombasis (test.data.testSP.PsiHFSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.PsiHFSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.PsiHFSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.PsiHFSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.PsiHFSPTest.testatommasses) ... ok testatomnos (test.data.testSP.PsiHFSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.PsiHFSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.PsiHFSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.PsiHFSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.PsiHFSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.PsiHFSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.PsiHFSPTest.testfirstmoenergy) Is the lowest energy molecular orbital within the target? ... ok testfornoormo (test.data.testSP.PsiHFSPTest.testfornoormo) ... ok testhomos (test.data.testSP.PsiHFSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.PsiHFSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.PsiHFSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.PsiHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.PsiHFSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.PsiHFSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.PsiHFSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.PsiHFSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.PsiHFSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.PsiHFSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.PsiHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.PsiHFSPTest.testmoments) ... ok testnatom (test.data.testSP.PsiHFSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.PsiHFSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.PsiHFSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.PsiHFSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.PsiHFSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.PsiHFSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.PsiHFSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.PsiHFSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.PsiHFSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/dvb_sp_rks.out: Customized restricted single point KS unittest *** testaooverlaps (test.data.testSP.PsiSPTest.testaooverlaps) ... skipped 'Psi4 does not currently have the option to print the overlap matrix' testatombasis (test.data.testSP.PsiSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.PsiSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.PsiSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.PsiSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.PsiSPTest.testatommasses) ... ok testatomnos (test.data.testSP.PsiSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.PsiSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.PsiSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.PsiSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.PsiSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.PsiSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.PsiSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.PsiSPTest.testfornoormo) ... ok testhomos (test.data.testSP.PsiSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.PsiSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.PsiSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.PsiSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.PsiSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.PsiSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.PsiSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.PsiSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.PsiSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.PsiSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.PsiSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.PsiSPTest.testmoments) ... ok testnatom (test.data.testSP.PsiSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.PsiSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.PsiSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.PsiSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.PsiSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.PsiSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.PsiSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.PsiSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.PsiSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/dvb_sp_rhf.out: Customized restricted single point HF unittest *** testaooverlaps (test.data.testSP.PsiHFSPTest.testaooverlaps) ... skipped 'Psi4 does not currently have the option to print the overlap matrix' testatombasis (test.data.testSP.PsiHFSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.PsiHFSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.PsiHFSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.PsiHFSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.PsiHFSPTest.testatommasses) ... ok testatomnos (test.data.testSP.PsiHFSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.PsiHFSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.PsiHFSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.PsiHFSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.PsiHFSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.PsiHFSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.PsiHFSPTest.testfirstmoenergy) Is the lowest energy molecular orbital within the target? ... ok testfornoormo (test.data.testSP.PsiHFSPTest.testfornoormo) ... ok testhomos (test.data.testSP.PsiHFSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.PsiHFSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.PsiHFSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.PsiHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.PsiHFSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.PsiHFSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.PsiHFSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.PsiHFSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.PsiHFSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.PsiHFSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.PsiHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.PsiHFSPTest.testmoments) ... ok testnatom (test.data.testSP.PsiHFSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.PsiHFSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.PsiHFSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.PsiHFSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.PsiHFSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.PsiHFSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.PsiHFSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.PsiHFSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.PsiHFSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/dvb_sp_rks.out: Customized restricted single point KS unittest *** testaooverlaps (test.data.testSP.PsiSPTest.testaooverlaps) ... skipped 'Psi4 does not currently have the option to print the overlap matrix' testatombasis (test.data.testSP.PsiSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.PsiSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.PsiSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.PsiSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.PsiSPTest.testatommasses) ... ok testatomnos (test.data.testSP.PsiSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.PsiSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.PsiSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.PsiSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.PsiSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.PsiSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.PsiSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.PsiSPTest.testfornoormo) ... ok testhomos (test.data.testSP.PsiSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.PsiSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.PsiSPTest.testmetadata_basis_set) ... skipped 'reading basis set names is not implemented' testmetadata_input_file (test.data.testSP.PsiSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.PsiSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.PsiSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.PsiSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.PsiSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.PsiSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.PsiSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.PsiSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.PsiSPTest.testmoments) ... ok testnatom (test.data.testSP.PsiSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.PsiSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.PsiSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.PsiSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.PsiSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.PsiSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.PsiSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.PsiSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.PsiSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=4) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/dvb_sp.out: Generic restricted single point unittest *** testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... skipped 'QChem cannot print the overlap matrix' testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GenericSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.GenericSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GenericSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... ok testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/dvb_sp.out: Generic restricted single point unittest *** testaooverlaps (test.data.testSP.GenericSPTest.testaooverlaps) ... skipped 'QChem cannot print the overlap matrix' testatombasis (test.data.testSP.GenericSPTest.testatombasis) ... ok testatomcharges (test.data.testSP.GenericSPTest.testatomcharges) ... ok testatomcoords (test.data.testSP.GenericSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.GenericSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.GenericSPTest.testatommasses) ... skipped 'atommasses not implemented yet' testatomnos (test.data.testSP.GenericSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.GenericSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.GenericSPTest.testcoreelectrons) ... ok testdimmocoeffs (test.data.testSP.GenericSPTest.testdimmocoeffs) ... ok testdimnoccnos (test.data.testSP.GenericSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.GenericSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.GenericSPTest.testfirstmoenergy) ... ok testfornoormo (test.data.testSP.GenericSPTest.testfornoormo) ... ok testhomos (test.data.testSP.GenericSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.GenericSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.GenericSPTest.testmetadata_basis_set) ... ok testmetadata_input_file (test.data.testSP.GenericSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.GenericSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.GenericSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.GenericSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.GenericSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.GenericSPTest.testmetadata_symmetry_detected) ... ok testmetadata_symmetry_used (test.data.testSP.GenericSPTest.testmetadata_symmetry_used) ... ok testmetadata_times (test.data.testSP.GenericSPTest.testmetadata_times) ... ok testmoments (test.data.testSP.GenericSPTest.testmoments) ... ok testnatom (test.data.testSP.GenericSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.GenericSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.GenericSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.GenericSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.GenericSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.GenericSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.GenericSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.GenericSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.GenericSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole5.9/dvb_sp_symm/mos,dvb_sp_symm/basis,dvb_sp_symm/control,dvb_sp_symm/dscf.out,dvb_sp_symm/coord: Customized restricted single point KS unittest *** testaooverlaps (test.data.testSP.TurbomoleSPTest.testaooverlaps) ... skipped 'The parser is still being developed so we skip this test' testatombasis (test.data.testSP.TurbomoleSPTest.testatombasis) ... skipped 'The parser is still being developed so we skip this test' testatomcharges (test.data.testSP.TurbomoleSPTest.testatomcharges) ... skipped 'The parser is still being developed so we skip this test' testatomcoords (test.data.testSP.TurbomoleSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.TurbomoleSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.TurbomoleSPTest.testatommasses) ... skipped 'The parser is still being developed so we skip this test' testatomnos (test.data.testSP.TurbomoleSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.TurbomoleSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.TurbomoleSPTest.testcoreelectrons) ... skipped 'The parser is still being developed so we skip this test' testdimmocoeffs (test.data.testSP.TurbomoleSPTest.testdimmocoeffs) ... skipped 'Use of symmetry has reduced the number of mo coeffs' testdimnoccnos (test.data.testSP.TurbomoleSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.TurbomoleSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.TurbomoleSPTest.testfirstmoenergy) ... skipped 'delta of 7.4, everything else ok' testfornoormo (test.data.testSP.TurbomoleSPTest.testfornoormo) ... ok testhomos (test.data.testSP.TurbomoleSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.TurbomoleSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.TurbomoleSPTest.testmetadata_basis_set) Does metadata have expected keys and values? ... ok testmetadata_input_file (test.data.testSP.TurbomoleSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.TurbomoleSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.TurbomoleSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.TurbomoleSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.TurbomoleSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.TurbomoleSPTest.testmetadata_symmetry_detected) ... skipped 'reading point group symmetry and name is not implemented' testmetadata_symmetry_used (test.data.testSP.TurbomoleSPTest.testmetadata_symmetry_used) ... skipped 'reading point group symmetry and name is not implemented' testmetadata_times (test.data.testSP.TurbomoleSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.TurbomoleSPTest.testmoments) ... ok testnatom (test.data.testSP.TurbomoleSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.TurbomoleSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.TurbomoleSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.TurbomoleSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.TurbomoleSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.TurbomoleSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.TurbomoleSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.TurbomoleSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.TurbomoleSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=11) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.5/dvb_sp/basis,dvb_sp/control,dvb_sp/mos,dvb_sp/dscf.out,dvb_sp/coord: Customized restricted single point HF unittest *** testaooverlaps (test.data.testSP.TurbomoleHFSPTest.testaooverlaps) ... skipped 'The parser is still being developed so we skip this test' testatombasis (test.data.testSP.TurbomoleHFSPTest.testatombasis) ... skipped 'The parser is still being developed so we skip this test' testatomcharges (test.data.testSP.TurbomoleHFSPTest.testatomcharges) ... skipped 'The parser is still being developed so we skip this test' testatomcoords (test.data.testSP.TurbomoleHFSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomcoords_units (test.data.testSP.TurbomoleHFSPTest.testatomcoords_units) Are atomcoords consistent with Angstroms? ... ok testatommasses (test.data.testSP.TurbomoleHFSPTest.testatommasses) ... skipped 'The parser is still being developed so we skip this test' testatomnos (test.data.testSP.TurbomoleHFSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSP.TurbomoleHFSPTest.testcharge_and_mult) ... ok testcoreelectrons (test.data.testSP.TurbomoleHFSPTest.testcoreelectrons) ... skipped 'The parser is still being developed so we skip this test' testdimmocoeffs (test.data.testSP.TurbomoleHFSPTest.testdimmocoeffs) ... skipped 'Use of symmetry has reduced the number of mo coeffs' testdimnoccnos (test.data.testSP.TurbomoleHFSPTest.testdimnoccnos) Is the length of nooccnos equal to nmo? ... ok testdimnocoeffs (test.data.testSP.TurbomoleHFSPTest.testdimnocoeffs) Are the dimensions of nocoeffs equal to nmo x nmo? ... ok testfirstmoenergy (test.data.testSP.TurbomoleHFSPTest.testfirstmoenergy) Is the lowest energy molecular orbital within the target? ... ok testfornoormo (test.data.testSP.TurbomoleHFSPTest.testfornoormo) ... ok testhomos (test.data.testSP.TurbomoleHFSPTest.testhomos) Is the index of the HOMO equal to 34? ... ok testlengthmoenergies (test.data.testSP.TurbomoleHFSPTest.testlengthmoenergies) Is the number of evalues equal to nmo? ... ok testmetadata_basis_set (test.data.testSP.TurbomoleHFSPTest.testmetadata_basis_set) Does metadata have expected keys and values? ... ok testmetadata_input_file (test.data.testSP.TurbomoleHFSPTest.testmetadata_input_file) ... skipped 'reading input file contents and name is not implemented' testmetadata_legacy_package_version (test.data.testSP.TurbomoleHFSPTest.testmetadata_legacy_package_version) ... ok testmetadata_methods (test.data.testSP.TurbomoleHFSPTest.testmetadata_methods) Does metadata have expected keys and values? ... ok testmetadata_package (test.data.testSP.TurbomoleHFSPTest.testmetadata_package) Does metadata have expected keys and values? ... ok testmetadata_package_version (test.data.testSP.TurbomoleHFSPTest.testmetadata_package_version) ... ok testmetadata_symmetry_detected (test.data.testSP.TurbomoleHFSPTest.testmetadata_symmetry_detected) ... skipped 'reading point group symmetry and name is not implemented' testmetadata_symmetry_used (test.data.testSP.TurbomoleHFSPTest.testmetadata_symmetry_used) ... skipped 'reading point group symmetry and name is not implemented' testmetadata_times (test.data.testSP.TurbomoleHFSPTest.testmetadata_times) ... skipped 'reading cpu/wall time is not implemented for this parser' testmoments (test.data.testSP.TurbomoleHFSPTest.testmoments) ... ok testnatom (test.data.testSP.TurbomoleHFSPTest.testnatom) Is the number of atoms equal to 20? ... ok testnbasis (test.data.testSP.TurbomoleHFSPTest.testnbasis) Is the number of basis set functions correct? ... ok testoptdone (test.data.testSP.TurbomoleHFSPTest.testoptdone) There should be no optdone attribute set. ... ok testscfenergy (test.data.testSP.TurbomoleHFSPTest.testscfenergy) ... ok testscftargetdim (test.data.testSP.TurbomoleHFSPTest.testscftargetdim) ... ok testscftargets (test.data.testSP.TurbomoleHFSPTest.testscftargets) ... ok testscfvaluetype (test.data.testSP.TurbomoleHFSPTest.testscfvaluetype) ... ok testsymlabels (test.data.testSP.TurbomoleHFSPTest.testsymlabels) ... ok testtypemoenergies (test.data.testSP.TurbomoleHFSPTest.testtypemoenergies) Is moenergies a list containing one numpy array? ... ok ---------------------------------------------------------------------- Ran 35 tests in 0.008s OK (skipped=10) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2018/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicFirefly8.1/dvb_dispersion_bp86_d3zero.out: Customized single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.FireflyDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.8/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/dvb_dispersion_bp86_d3zero.out: Generic single-geometry dispersion correction unittest *** testdispersionenergies (test.data.testSP.GenericDispersionTest.testdispersionenergies) Is the dispersion energy parsed correctly? ... ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicADF2007.01/dvb_un_sp.adfout: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicADF2013.01/dvb_un_sp.adfout: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/dvb_sp_un_hf.out: Customized restricted open-shell single point unittest *** testatomcoords (test.data.testSPun.GenericROSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericROSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericROSPTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericROSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet' testdimnsoccnos (test.data.testSPun.GenericROSPTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericROSPTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericROSPTest.testfornsoormo) ... skipped 'mocoeffs not implemented yet' testhomos (test.data.testSPun.GenericROSPTest.testhomos) ... ok testmoenergies (test.data.testSPun.GenericROSPTest.testmoenergies) ... ok testmosyms (test.data.testSPun.GenericROSPTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericROSPTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.002s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/dvb_sp_un_ks.out: Customized restricted open-shell single point unittest *** testatomcoords (test.data.testSPun.GenericROSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericROSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericROSPTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericROSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet' testdimnsoccnos (test.data.testSPun.GenericROSPTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericROSPTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericROSPTest.testfornsoormo) ... skipped 'mocoeffs not implemented yet' testhomos (test.data.testSPun.GenericROSPTest.testhomos) ... ok testmoenergies (test.data.testSPun.GenericROSPTest.testmoenergies) ... ok testmosyms (test.data.testSPun.GenericROSPTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericROSPTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.002s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/dvb_sp_un_hf.out: Customized restricted open-shell single point unittest *** testatomcoords (test.data.testSPun.GenericROSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericROSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericROSPTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericROSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet' testdimnsoccnos (test.data.testSPun.GenericROSPTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericROSPTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericROSPTest.testfornsoormo) ... skipped 'mocoeffs not implemented yet' testhomos (test.data.testSPun.GenericROSPTest.testhomos) ... ok testmoenergies (test.data.testSPun.GenericROSPTest.testmoenergies) ... ok testmosyms (test.data.testSPun.GenericROSPTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericROSPTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.002s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/dvb_sp_un_ks.out: Customized restricted open-shell single point unittest *** testatomcoords (test.data.testSPun.GenericROSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericROSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericROSPTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericROSPTest.testdimmocoeffs) ... skipped 'mocoeffs not implemented yet' testdimnsoccnos (test.data.testSPun.GenericROSPTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericROSPTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericROSPTest.testfornsoormo) ... skipped 'mocoeffs not implemented yet' testhomos (test.data.testSPun.GenericROSPTest.testhomos) ... ok testmoenergies (test.data.testSPun.GenericROSPTest.testmoenergies) ... ok testmosyms (test.data.testSPun.GenericROSPTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericROSPTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.002s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.2/dvb_sp_un_modified.FChk: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped 'Fchk files do not have a section for symmetry' testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK7.0/dvb_un_sp_b.out: Customized unrestricted single point unittest *** testatomcoords (test.data.testSPun.GamessUK70SPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GamessUK70SPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GamessUK70SPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GamessUK70SPunTest.testdimmocoeffs) Are the dimensions of mocoeffs equal to 2 x (homos+6) x nbasis? ... ok testdimnsoccnos (test.data.testSPun.GamessUK70SPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GamessUK70SPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GamessUK70SPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GamessUK70SPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GamessUK70SPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GamessUK70SPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GamessUK70SPunTest.testnatom) Is the number of atoms equal to 20? ... ok testnooccnos (test.data.testSPun.GamessUK70SPunTest.testnooccnos) Are natural orbital occupation numbers the right size? ... ok ---------------------------------------------------------------------- Ran 12 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/dvb_un_sp_hf.out: Customized unrestricted single point unittest *** testatomcoords (test.data.testSPun.GamessUK80SPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GamessUK80SPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GamessUK80SPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GamessUK80SPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GamessUK80SPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GamessUK80SPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GamessUK80SPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GamessUK80SPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GamessUK80SPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GamessUK80SPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GamessUK80SPunTest.testnatom) Is the number of atoms equal to 20? ... ok testnooccnos (test.data.testSPun.GamessUK80SPunTest.testnooccnos) Are natural orbital occupation numbers the right size? ... ok ---------------------------------------------------------------------- Ran 12 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/dvb_un_sp_ks.out: Customized unrestricted single point unittest *** testatomcoords (test.data.testSPun.GamessUK80SPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GamessUK80SPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GamessUK80SPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GamessUK80SPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GamessUK80SPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GamessUK80SPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GamessUK80SPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GamessUK80SPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GamessUK80SPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GamessUK80SPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GamessUK80SPunTest.testnatom) Is the number of atoms equal to 20? ... ok testnooccnos (test.data.testSPun.GamessUK80SPunTest.testnooccnos) Are natural orbital occupation numbers the right size? ... ok ---------------------------------------------------------------------- Ran 12 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/dvb_un_sp.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/dvb_un_sp.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicFirefly8.0/dvb_un_sp.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/dvb_un_sp_b.log: Customized unrestricted single point unittest *** testatomcharges (test.data.testSPun.GaussianSPunTest.testatomcharges) Are atomcharges (at least Mulliken) consistent with natom and sum to one? ... ok testatomcoords (test.data.testSPun.GaussianSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GaussianSPunTest.testatomnos) Does atomnos have the right dimension (20)? ... ok testatomspins (test.data.testSPun.GaussianSPunTest.testatomspins) ... ok testcharge_and_mult (test.data.testSPun.GaussianSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GaussianSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GaussianSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GaussianSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GaussianSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GaussianSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GaussianSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GaussianSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GaussianSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 13 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_un_sp_b.log: Customized unrestricted single point unittest *** testatomcharges (test.data.testSPun.GaussianSPunTest.testatomcharges) Are atomcharges (at least Mulliken) consistent with natom and sum to one? ... ok testatomcoords (test.data.testSPun.GaussianSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GaussianSPunTest.testatomnos) Does atomnos have the right dimension (20)? ... ok testatomspins (test.data.testSPun.GaussianSPunTest.testatomspins) ... ok testcharge_and_mult (test.data.testSPun.GaussianSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GaussianSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GaussianSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GaussianSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GaussianSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GaussianSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GaussianSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GaussianSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GaussianSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 13 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_un_sp_nso.log: Customized unrestricted single point unittest *** testatomcharges (test.data.testSPun.GaussianSPunTest.testatomcharges) Are atomcharges (at least Mulliken) consistent with natom and sum to one? ... ok testatomcoords (test.data.testSPun.GaussianSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GaussianSPunTest.testatomnos) Does atomnos have the right dimension (20)? ... ok testatomspins (test.data.testSPun.GaussianSPunTest.testatomspins) ... ok testcharge_and_mult (test.data.testSPun.GaussianSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GaussianSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GaussianSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GaussianSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GaussianSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GaussianSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GaussianSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GaussianSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GaussianSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 13 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar7.0/dvb_un_sp.out: Customized unrestricted single point unittest *** testatomcoords (test.data.testSPun.JaguarSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.JaguarSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.JaguarSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.JaguarSPunTest.testdimmocoeffs) ... skipped 'Data file does not contain enough information' testdimnsoccnos (test.data.testSPun.JaguarSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.JaguarSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.JaguarSPunTest.testfornsoormo) ... skipped 'Data file does not contain enough information' testhomos (test.data.testSPun.JaguarSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.JaguarSPunTest.testmoenergies) Are the dims of the moenergies equal to 2 x homos+11? ... ok testmosyms (test.data.testSPun.JaguarSPunTest.testmosyms) Are the dims of the mosyms equals to 2 x nmo? ... ok testnatom (test.data.testSPun.JaguarSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/dvb_un_sp_hf.out: Customized unrestricted single point unittest *** testatomcoords (test.data.testSPun.JaguarSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.JaguarSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.JaguarSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.JaguarSPunTest.testdimmocoeffs) ... skipped 'Data file does not contain enough information' testdimnsoccnos (test.data.testSPun.JaguarSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.JaguarSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.JaguarSPunTest.testfornsoormo) ... skipped 'Data file does not contain enough information' testhomos (test.data.testSPun.JaguarSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.JaguarSPunTest.testmoenergies) Are the dims of the moenergies equal to 2 x homos+11? ... ok testmosyms (test.data.testSPun.JaguarSPunTest.testmosyms) Are the dims of the mosyms equals to 2 x nmo? ... ok testnatom (test.data.testSPun.JaguarSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/dvb_un_sp_ks.out: Customized unrestricted single point unittest *** testatomcoords (test.data.testSPun.JaguarSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.JaguarSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.JaguarSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.JaguarSPunTest.testdimmocoeffs) ... skipped 'Data file does not contain enough information' testdimnsoccnos (test.data.testSPun.JaguarSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.JaguarSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.JaguarSPunTest.testfornsoormo) ... skipped 'Data file does not contain enough information' testhomos (test.data.testSPun.JaguarSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.JaguarSPunTest.testmoenergies) Are the dims of the moenergies equal to 2 x homos+11? ... ok testmosyms (test.data.testSPun.JaguarSPunTest.testmosyms) Are the dims of the mosyms equals to 2 x nmo? ... ok testnatom (test.data.testSPun.JaguarSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicOpenMolcas18.0/dvb_sp_un.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... skipped 'The parser is still being developed so we skip this test' testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped 'The parser is still being developed so we skip this test' testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2006/dvb_sphf_un.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped '?' testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/dvb_sphf_un.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped '?' testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.0/dvb_un_sp_ks.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem6.5/dvb_un_sp_ks.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/dvb_sp_un.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped 'ORCA has no support for symmetry yet' testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/dvb_sp_un.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped 'ORCA has no support for symmetry yet' testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/dvb_sp_un.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... skipped 'ORCA has no support for symmetry yet' testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/dvb_sp_rohf.out: Customized restricted open-shell single point unittest *** testatomcoords (test.data.testSPun.GenericROSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericROSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericROSPTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericROSPTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericROSPTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericROSPTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericROSPTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericROSPTest.testhomos) ... ok testmoenergies (test.data.testSPun.GenericROSPTest.testmoenergies) ... ok testmosyms (test.data.testSPun.GenericROSPTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericROSPTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/dvb_sp_uhf.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/dvb_sp_uks.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/dvb_sp_rohf.out: Customized restricted open-shell single point unittest *** testatomcoords (test.data.testSPun.GenericROSPTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericROSPTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericROSPTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericROSPTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericROSPTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericROSPTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericROSPTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericROSPTest.testhomos) ... ok testmoenergies (test.data.testSPun.GenericROSPTest.testmoenergies) ... ok testmosyms (test.data.testSPun.GenericROSPTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericROSPTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/dvb_sp_uhf.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/dvb_sp_uks.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/dvb_sp_un.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/dvb_sp_un.out: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.003s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole5.9/dvb_un_sp/alpha,dvb_un_sp/beta,dvb_un_sp/basis,dvb_un_sp/control,dvb_un_sp/dscf.out,dvb_un_sp/coord,dvb_un_sp/gradient: Generic unrestricted single point unittest *** testatomcoords (test.data.testSPun.GenericSPunTest.testatomcoords) Are the dimensions of atomcoords 1 x natom x 3? ... ok testatomnos (test.data.testSPun.GenericSPunTest.testatomnos) Are the atomnos correct? ... ok testcharge_and_mult (test.data.testSPun.GenericSPunTest.testcharge_and_mult) ... ok testdimmocoeffs (test.data.testSPun.GenericSPunTest.testdimmocoeffs) ... ok testdimnsoccnos (test.data.testSPun.GenericSPunTest.testdimnsoccnos) Are the dimensions of nsooccnos equal to 2 x nmo? ... ok testdimnsocoeffs (test.data.testSPun.GenericSPunTest.testdimnsocoeffs) Are the dimensions of nsocoeffs equal to 2 x nmo x nmo? ... ok testfornsoormo (test.data.testSPun.GenericSPunTest.testfornsoormo) ... ok testhomos (test.data.testSPun.GenericSPunTest.testhomos) Are the homos correct? ... ok testmoenergies (test.data.testSPun.GenericSPunTest.testmoenergies) Are the dims of the moenergies equals to 2 x nmo? ... ok testmosyms (test.data.testSPun.GenericSPunTest.testmosyms) ... ok testnatom (test.data.testSPun.GenericSPunTest.testnatom) Is the number of atoms equal to 20? ... ok ---------------------------------------------------------------------- Ran 11 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicADF2007.01/dvb_td.adfout: Customized time-dependent DFT unittest *** testenergies (test.data.testTD.ADFTDDFTTest.testenergies) ... ok testoscs (test.data.testTD.ADFTDDFTTest.testoscs) ... ok testrotatsnumber (test.data.testTD.ADFTDDFTTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.ADFTDDFTTest.testsecs) Is the sum of etsecs close to 1? ... ok testsecs_transition (test.data.testTD.ADFTDDFTTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.ADFTDDFTTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicADF2013.01/dvb_td.adfout: Customized time-dependent DFT unittest *** testenergies (test.data.testTD.ADFTDDFTTest.testenergies) ... ok testoscs (test.data.testTD.ADFTDDFTTest.testoscs) ... ok testrotatsnumber (test.data.testTD.ADFTDDFTTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.ADFTDDFTTest.testsecs) Is the sum of etsecs close to 1? ... ok testsecs_transition (test.data.testTD.ADFTDDFTTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.ADFTDDFTTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/dvb_td.out: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.DALTONTDTest.testenergies) ... ok testoscs (test.data.testTD.DALTONTDTest.testoscs) ... ok testrotatsnumber (test.data.testTD.DALTONTDTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.DALTONTDTest.testsecs) ... ok testsecs_transition (test.data.testTD.DALTONTDTest.testsecs_transition) ... skipped 'This is true for calculations without symmetry, but not with?' testsymsnumber (test.data.testTD.DALTONTDTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/dvb_td.out: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.DALTONTDTest.testenergies) ... ok testoscs (test.data.testTD.DALTONTDTest.testoscs) ... ok testrotatsnumber (test.data.testTD.DALTONTDTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.DALTONTDTest.testsecs) ... ok testsecs_transition (test.data.testTD.DALTONTDTest.testsecs_transition) ... skipped 'This is true for calculations without symmetry, but not with?' testsymsnumber (test.data.testTD.DALTONTDTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_td.fchk: Generic time-dependent HF/DFT unittest *** testenergies (test.data.testTD.GenericTDTest.testenergies) ... ok testoscs (test.data.testTD.GenericTDTest.testoscs) ... ok testrotatsnumber (test.data.testTD.GenericTDTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.GenericTDTest.testsecs) ... skipped 'The parser is still being developed so we skip this test' testsecs_transition (test.data.testTD.GenericTDTest.testsecs_transition) ... skipped 'This is true for calculations without symmetry, but not with?' testsymsnumber (test.data.testTD.GenericTDTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicFirefly8.0/dvb_td.out: Generic time-dependent HF/DFT unittest *** testenergies (test.data.testTD.GenericTDTest.testenergies) ... ok testoscs (test.data.testTD.GenericTDTest.testoscs) ... ok testrotatsnumber (test.data.testTD.GenericTDTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.GenericTDTest.testsecs) ... ok testsecs_transition (test.data.testTD.GenericTDTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.GenericTDTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicFirefly8.0/dvb_td_trplet.out: Generic time-dependent HF/DFT (triplet) unittest *** testenergies (test.data.testTD.GenericTDDFTtrpTest.testenergies) ... ok testoscs (test.data.testTD.GenericTDDFTtrpTest.testoscs) Triplet excitations should be disallowed. ... ok testrotatsnumber (test.data.testTD.GenericTDDFTtrpTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.GenericTDDFTtrpTest.testsecs) ... ok testsecs_transition (test.data.testTD.GenericTDDFTtrpTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.GenericTDDFTtrpTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/dvb_td.out: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.GAMESSUSTDDFTTest.testenergies) ... ok testoscs (test.data.testTD.GAMESSUSTDDFTTest.testoscs) ... ok testrotatsnumber (test.data.testTD.GAMESSUSTDDFTTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.GAMESSUSTDDFTTest.testsecs) ... ok testsecs_transition (test.data.testTD.GAMESSUSTDDFTTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.GAMESSUSTDDFTTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/dvb_td.out: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.GAMESSUSTDDFTTest.testenergies) ... ok testoscs (test.data.testTD.GAMESSUSTDDFTTest.testoscs) ... ok testrotatsnumber (test.data.testTD.GAMESSUSTDDFTTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.GAMESSUSTDDFTTest.testsecs) ... ok testsecs_transition (test.data.testTD.GAMESSUSTDDFTTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.GAMESSUSTDDFTTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/dvb_td_trplet.out: Generic time-dependent HF/DFT (triplet) unittest *** testenergies (test.data.testTD.GenericTDDFTtrpTest.testenergies) ... ok testoscs (test.data.testTD.GenericTDDFTtrpTest.testoscs) Triplet excitations should be disallowed. ... ok testrotatsnumber (test.data.testTD.GenericTDDFTtrpTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.GenericTDDFTtrpTest.testsecs) ... ok testsecs_transition (test.data.testTD.GenericTDDFTtrpTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.GenericTDDFTtrpTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/dvb_td_trplet.out: Generic time-dependent HF/DFT (triplet) unittest *** testenergies (test.data.testTD.GenericTDDFTtrpTest.testenergies) ... ok testoscs (test.data.testTD.GenericTDDFTtrpTest.testoscs) Triplet excitations should be disallowed. ... ok testrotatsnumber (test.data.testTD.GenericTDDFTtrpTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.GenericTDDFTtrpTest.testsecs) ... ok testsecs_transition (test.data.testTD.GenericTDDFTtrpTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.GenericTDDFTtrpTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/dvb_td.out: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.GaussianTDDFTTest.testenergies) ... ok testetdipsshape (test.data.testTD.GaussianTDDFTTest.testetdipsshape) Is the shape of etdips correct? ... ok testetmagdipsshape (test.data.testTD.GaussianTDDFTTest.testetmagdipsshape) Is the shape of etmagdips correct? ... ok testetveldipsshape (test.data.testTD.GaussianTDDFTTest.testetveldipsshape) Is the shape of etveldips correct? ... ok testoscs (test.data.testTD.GaussianTDDFTTest.testoscs) ... ok testrotatsnumber (test.data.testTD.GaussianTDDFTTest.testrotatsnumber) Is the length of etrotats correct? ... ok testsecs (test.data.testTD.GaussianTDDFTTest.testsecs) ... ok testsecs_transition (test.data.testTD.GaussianTDDFTTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.GaussianTDDFTTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 9 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_td.out: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.GaussianTDDFTTest.testenergies) ... ok testetdipsshape (test.data.testTD.GaussianTDDFTTest.testetdipsshape) Is the shape of etdips correct? ... ok testetmagdipsshape (test.data.testTD.GaussianTDDFTTest.testetmagdipsshape) Is the shape of etmagdips correct? ... ok testetveldipsshape (test.data.testTD.GaussianTDDFTTest.testetveldipsshape) Is the shape of etveldips correct? ... ok testoscs (test.data.testTD.GaussianTDDFTTest.testoscs) ... ok testrotatsnumber (test.data.testTD.GaussianTDDFTTest.testrotatsnumber) Is the length of etrotats correct? ... ok testsecs (test.data.testTD.GaussianTDDFTTest.testsecs) ... ok testsecs_transition (test.data.testTD.GaussianTDDFTTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.GaussianTDDFTTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 9 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/dvb_td.out: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.JaguarTDDFTTest.testenergies) ... ok testoscs (test.data.testTD.JaguarTDDFTTest.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.JaguarTDDFTTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.JaguarTDDFTTest.testsecs) ... ok testsecs_transition (test.data.testTD.JaguarTDDFTTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.JaguarTDDFTTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem7.0/dvb_td.out: Generic time-dependent HF/DFT unittest *** testenergies (test.data.testTD.GenericTDTest.testenergies) ... ok testoscs (test.data.testTD.GenericTDTest.testoscs) ... ok testrotatsnumber (test.data.testTD.GenericTDTest.testrotatsnumber) ... skipped 'etrotats are not yet implemented' testsecs (test.data.testTD.GenericTDTest.testsecs) ... ok testsecs_transition (test.data.testTD.GenericTDTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.GenericTDTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/dvb_td.out: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.OrcaTDDFTTest.testenergies) ... ok testoscs (test.data.testTD.OrcaTDDFTTest.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.OrcaTDDFTTest.testrotatsnumber) ... ok testsecs (test.data.testTD.OrcaTDDFTTest.testsecs) ... ok testsecs_transition (test.data.testTD.OrcaTDDFTTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.OrcaTDDFTTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/dvb_td.out: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.OrcaTDDFTTest.testenergies) ... ok testoscs (test.data.testTD.OrcaTDDFTTest.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.OrcaTDDFTTest.testrotatsnumber) ... ok testsecs (test.data.testTD.OrcaTDDFTTest.testsecs) ... ok testsecs_transition (test.data.testTD.OrcaTDDFTTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.OrcaTDDFTTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/dvb_td.out: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.OrcaTDDFTTest.testenergies) ... ok testoscs (test.data.testTD.OrcaTDDFTTest.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.OrcaTDDFTTest.testrotatsnumber) ... ok testsecs (test.data.testTD.OrcaTDDFTTest.testsecs) ... ok testsecs_transition (test.data.testTD.OrcaTDDFTTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.OrcaTDDFTTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/dvb_rocis.out: Customized test for ROCIS *** testTransprop (test.data.testTD.OrcaROCISTest.testTransprop) Check the number of spectra parsed ... ok testenergies (test.data.testTD.OrcaROCISTest.testenergies) ... ok testoscs (test.data.testTD.OrcaROCISTest.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.OrcaROCISTest.testrotatsnumber) ROCIS does not calculate rotatory strengths ... ok testsecs (test.data.testTD.OrcaROCISTest.testsecs) ROCIS does not form singly excited configurations (secs) ... ok testsecs_transition (test.data.testTD.OrcaROCISTest.testsecs_transition) ROCIS does not form singly excited configurations (secs) ... ok testsymsnumber (test.data.testTD.OrcaROCISTest.testsymsnumber) ORCA ROCIS has no symmetry ... ok ---------------------------------------------------------------------- Ran 7 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/dvb_rocis.out: Customized test for ROCIS *** testTransprop (test.data.testTD.OrcaROCISTest.testTransprop) Check the number of spectra parsed ... ok testenergies (test.data.testTD.OrcaROCISTest.testenergies) ... ok testoscs (test.data.testTD.OrcaROCISTest.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.OrcaROCISTest.testrotatsnumber) ROCIS does not calculate rotatory strengths ... ok testsecs (test.data.testTD.OrcaROCISTest.testsecs) ROCIS does not form singly excited configurations (secs) ... ok testsecs_transition (test.data.testTD.OrcaROCISTest.testsecs_transition) ROCIS does not form singly excited configurations (secs) ... ok testsymsnumber (test.data.testTD.OrcaROCISTest.testsymsnumber) ORCA ROCIS has no symmetry ... ok ---------------------------------------------------------------------- Ran 7 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/dvb_rocis.out: Customized test for ROCIS *** testTransprop (test.data.testTD.OrcaROCISTest.testTransprop) Check the number of spectra parsed ... ok testenergies (test.data.testTD.OrcaROCISTest.testenergies) ... ok testoscs (test.data.testTD.OrcaROCISTest.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.OrcaROCISTest.testrotatsnumber) ROCIS does not calculate rotatory strengths ... ok testsecs (test.data.testTD.OrcaROCISTest.testsecs) ROCIS does not form singly excited configurations (secs) ... ok testsecs_transition (test.data.testTD.OrcaROCISTest.testsecs_transition) ROCIS does not form singly excited configurations (secs) ... ok testsymsnumber (test.data.testTD.OrcaROCISTest.testsymsnumber) ORCA ROCIS has no symmetry ... ok ---------------------------------------------------------------------- Ran 7 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/dvb_td.out: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.QChemTDDFTTest.testenergies) ... ok testoscs (test.data.testTD.QChemTDDFTTest.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.QChemTDDFTTest.testrotatsnumber) ... skipped 'Q-Chem cannot calculate rotatory strengths' testsecs (test.data.testTD.QChemTDDFTTest.testsecs) ... ok testsecs_transition (test.data.testTD.QChemTDDFTTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.QChemTDDFTTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/dvb_td.out: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.QChemTDDFTTest.testenergies) ... ok testoscs (test.data.testTD.QChemTDDFTTest.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.QChemTDDFTTest.testrotatsnumber) ... skipped 'Q-Chem cannot calculate rotatory strengths' testsecs (test.data.testTD.QChemTDDFTTest.testsecs) ... ok testsecs_transition (test.data.testTD.QChemTDDFTTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.QChemTDDFTTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/CO_TD/basis,CO_TD/control,CO_TD/mos,CO_TD/dscf.out,CO_TD/escf.out,CO_TD/coord: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.TurbomoleTDTest.testenergies) ... ok testoscs (test.data.testTD.TurbomoleTDTest.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.TurbomoleTDTest.testrotatsnumber) ... ok testsecs (test.data.testTD.TurbomoleTDTest.testsecs) ... ok testsecs_transition (test.data.testTD.TurbomoleTDTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.TurbomoleTDTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/CO_TD_trip/basis,CO_TD_trip/control,CO_TD_trip/mos,CO_TD_trip/dscf.out,CO_TD_trip/escf.out,CO_TD_trip/coord: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.TurbomoleTDTripTest.testenergies) ... ok testoscs (test.data.testTD.TurbomoleTDTripTest.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.TurbomoleTDTripTest.testrotatsnumber) ... ok testsecs (test.data.testTD.TurbomoleTDTripTest.testsecs) ... ok testsecs_transition (test.data.testTD.TurbomoleTDTripTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.TurbomoleTDTripTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/CO_cc2_TD/basis,CO_cc2_TD/control,CO_cc2_TD/mos,CO_cc2_TD/dscf.out,CO_cc2_TD/ricc2.out,CO_cc2_TD/coord: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.TurbomoleTDTest.testenergies) ... ok testoscs (test.data.testTD.TurbomoleTDTest.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.TurbomoleTDTest.testrotatsnumber) ... skipped 'Rotatory strengths are not currently available for ricc2' testsecs (test.data.testTD.TurbomoleTDTest.testsecs) ... ok testsecs_transition (test.data.testTD.TurbomoleTDTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.TurbomoleTDTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/CO_adc2_TD/basis,CO_adc2_TD/control,CO_adc2_TD/mos,CO_adc2_TD/CO.log,CO_adc2_TD/coord: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.TurbomoleTDADC2Test.testenergies) ... ok testoscs (test.data.testTD.TurbomoleTDADC2Test.testoscs) Is the maximum of etoscs in the right range? ... ok testrotatsnumber (test.data.testTD.TurbomoleTDADC2Test.testrotatsnumber) ... skipped 'Rotatory strengths are not currently available for ricc2' testsecs (test.data.testTD.TurbomoleTDADC2Test.testsecs) ... ok testsecs_transition (test.data.testTD.TurbomoleTDADC2Test.testsecs_transition) ... ok testsymsnumber (test.data.testTD.TurbomoleTDADC2Test.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/CO_cc2_TD_trip/basis,CO_cc2_TD_trip/control,CO_cc2_TD_trip/mos,CO_cc2_TD_trip/dscf.out,CO_cc2_TD_trip/ricc2.out,CO_cc2_TD_trip/coord: Customized time-dependent HF/DFT unittest *** testenergies (test.data.testTD.TurbomoleTDCC2TripTest.testenergies) Is the l_max reasonable? ... ok testoscs (test.data.testTD.TurbomoleTDCC2TripTest.testoscs) ... skipped "Oscillator strengths are not available for triplets with Turbomole's ricc2" testrotatsnumber (test.data.testTD.TurbomoleTDCC2TripTest.testrotatsnumber) ... skipped 'Rotatory strengths are not currently available for ricc2' testsecs (test.data.testTD.TurbomoleTDCC2TripTest.testsecs) ... ok testsecs_transition (test.data.testTD.TurbomoleTDCC2TripTest.testsecs_transition) ... ok testsymsnumber (test.data.testTD.TurbomoleTDCC2TripTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/CO_TD_delta.log: Generic time-dependent unrestricted HF/DFT unittest *** testenergiesnumber (test.data.testTDun.GenericTDunTest.testenergiesnumber) ... ok testoscsnumber (test.data.testTDun.GenericTDunTest.testoscsnumber) ... ok testrotatsnumber (test.data.testTDun.GenericTDunTest.testrotatsnumber) ... ok testsecsnumber (test.data.testTDun.GenericTDunTest.testsecsnumber) ... ok testsyms (test.data.testTDun.GenericTDunTest.testsyms) ... ok testsymsnumber (test.data.testTDun.GenericTDunTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/CO_TD_delta.log: Generic time-dependent unrestricted HF/DFT unittest *** testenergiesnumber (test.data.testTDun.GenericTDunTest.testenergiesnumber) ... ok testoscsnumber (test.data.testTDun.GenericTDunTest.testoscsnumber) ... ok testrotatsnumber (test.data.testTDun.GenericTDunTest.testrotatsnumber) ... ok testsecsnumber (test.data.testTDun.GenericTDunTest.testsecsnumber) ... ok testsyms (test.data.testTDun.GenericTDunTest.testsyms) ... ok testsymsnumber (test.data.testTDun.GenericTDunTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/CO_TD_un/basis,CO_TD_un/control,CO_TD_un/alpha,CO_TD_un/beta,CO_TD_un/dscf.out,CO_TD_un/escf.out,CO_TD_un/coord: Customized time-dependent unrestricted HF/DFT unittest *** testenergiesnumber (test.data.testTDun.TurbomoleTDunTest.testenergiesnumber) ... ok testoscsnumber (test.data.testTDun.TurbomoleTDunTest.testoscsnumber) ... ok testrotatsnumber (test.data.testTDun.TurbomoleTDunTest.testrotatsnumber) ... ok testsecsnumber (test.data.testTDun.TurbomoleTDunTest.testsecsnumber) ... ok testsyms (test.data.testTDun.TurbomoleTDunTest.testsyms) ... skipped 'Turbomole etsyms are not available for UHF' testsymsnumber (test.data.testTDun.TurbomoleTDunTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole7.4/CO_cc2_TD_un/basis,CO_cc2_TD_un/control,CO_cc2_TD_un/alpha,CO_cc2_TD_un/beta,CO_cc2_TD_un/dscf.out,CO_cc2_TD_un/ricc2.out,CO_cc2_TD_un/coord: Customized time-dependent unrestricted HF/DFT unittest *** testenergiesnumber (test.data.testTDun.TurbomoleTDunTest.testenergiesnumber) ... ok testoscsnumber (test.data.testTDun.TurbomoleTDunTest.testoscsnumber) ... skipped "Oscillator strengths are not available for triplets with Turbomole's ricc2" testrotatsnumber (test.data.testTDun.TurbomoleTDunTest.testrotatsnumber) ... skipped 'Rotatory strengths are not currently available for ricc2' testsecsnumber (test.data.testTDun.TurbomoleTDunTest.testsecsnumber) ... ok testsyms (test.data.testTDun.TurbomoleTDunTest.testsyms) ... skipped 'Turbomole etsyms are not available for UHF' testsymsnumber (test.data.testTDun.TurbomoleTDunTest.testsymsnumber) ... ok ---------------------------------------------------------------------- Ran 6 tests in 0.001s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicADF2007.01/dvb_ir.adfout: Customized vibrational frequency unittest *** testbasics (test.data.testvib.ADFIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.ADFIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.ADFIRTest.testirintens) ... ok testlengths (test.data.testvib.ADFIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.ADFIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.ADFIRTest.testvibfconsts) ... skipped 'ADF cannot print force constants' testvibrmasses (test.data.testvib.ADFIRTest.testvibrmasses) ... skipped 'ADF cannot print reduced masses' testzeropointcorrection (test.data.testvib.ADFIRTest.testzeropointcorrection) Is the zero-point correction correct? ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicADF2013.01/dvb_ir.adfout: Customized vibrational frequency unittest *** testbasics (test.data.testvib.ADFIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.ADFIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.ADFIRTest.testirintens) ... ok testlengths (test.data.testvib.ADFIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.ADFIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.ADFIRTest.testvibfconsts) ... skipped 'ADF cannot print force constants' testvibrmasses (test.data.testvib.ADFIRTest.testvibrmasses) ... skipped 'ADF cannot print reduced masses' testzeropointcorrection (test.data.testvib.ADFIRTest.testzeropointcorrection) Is the zero-point correction correct? ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/dvb_ir.out: Generic vibrational frequency unittest *** testbasics (test.data.testvib.GenericIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.GenericIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok testlengths (test.data.testvib.GenericIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'DALTON cannot print force constants' testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'DALTON cannot print reduced masses' testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2015/dvb_ir.out: Generic vibrational frequency unittest *** testbasics (test.data.testvib.GenericIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.GenericIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok testlengths (test.data.testvib.GenericIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'DALTON cannot print force constants' testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'DALTON cannot print reduced masses' testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK7.0/dvb_ir.out: Generic vibrational frequency unittest *** testbasics (test.data.testvib.GenericIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.GenericIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok testlengths (test.data.testvib.GenericIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'GAMESS-UK cannot print force constants' testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'GAMESSUK cannot print reduced masses' testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/dvb_ir.out: Generic vibrational frequency unittest *** testbasics (test.data.testvib.GenericIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.GenericIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok testlengths (test.data.testvib.GenericIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'GAMESS-UK cannot print force constants' testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'GAMESSUK cannot print reduced masses' testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicFirefly8.0/dvb_ir.out: Customized vibrational frequency unittest *** testbasics (test.data.testvib.FireflyIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.FireflyIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.FireflyIRTest.testirintens) ... ok testlengths (test.data.testvib.FireflyIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.FireflyIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.FireflyIRTest.testvibfconsts) ... skipped 'GAMESS-US cannot print force constants' testvibrmasses (test.data.testvib.FireflyIRTest.testvibrmasses) ... ok testzeropointcorrection (test.data.testvib.FireflyIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/dvb_ir.out: Customized vibrational frequency unittest *** testatommasses (test.data.testvib.GamessIRTest.testatommasses) Do the atom masses sum up to the molecular mass (130078.25+-0.1mD)? ... ok testbasics (test.data.testvib.GamessIRTest.testbasics) Are basic attributes correct? ... ok testenthalpy (test.data.testvib.GamessIRTest.testenthalpy) Is the enthalpy reasonable ... ok testentropy (test.data.testvib.GamessIRTest.testentropy) Is the entropy reasonable ... ok testfreeenergy (test.data.testvib.GamessIRTest.testfreeenergy) Is the freeenergy reasonable ... ok testfreeenergyconsistency (test.data.testvib.GamessIRTest.testfreeenergyconsistency) Does G = H - TS hold ... ok testfreqval (test.data.testvib.GamessIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GamessIRTest.testirintens) ... ok testlengths (test.data.testvib.GamessIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testpressure (test.data.testvib.GamessIRTest.testpressure) Is the pressure 1 atm? ... ok testtemperature (test.data.testvib.GamessIRTest.testtemperature) Is the temperature 298.15 K? ... ok testvibdisps (test.data.testvib.GamessIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GamessIRTest.testvibfconsts) ... skipped 'GAMESS-US cannot print force constants' testvibrmasses (test.data.testvib.GamessIRTest.testvibrmasses) ... ok testzeropointcorrection (test.data.testvib.GamessIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 15 tests in 0.002s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/dvb_ir.out: Customized vibrational frequency unittest *** testatommasses (test.data.testvib.GamessIRTest.testatommasses) Do the atom masses sum up to the molecular mass (130078.25+-0.1mD)? ... ok testbasics (test.data.testvib.GamessIRTest.testbasics) Are basic attributes correct? ... ok testenthalpy (test.data.testvib.GamessIRTest.testenthalpy) Is the enthalpy reasonable ... ok testentropy (test.data.testvib.GamessIRTest.testentropy) Is the entropy reasonable ... ok testfreeenergy (test.data.testvib.GamessIRTest.testfreeenergy) Is the freeenergy reasonable ... ok testfreeenergyconsistency (test.data.testvib.GamessIRTest.testfreeenergyconsistency) Does G = H - TS hold ... ok testfreqval (test.data.testvib.GamessIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GamessIRTest.testirintens) ... ok testlengths (test.data.testvib.GamessIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testpressure (test.data.testvib.GamessIRTest.testpressure) Is the pressure 1 atm? ... ok testtemperature (test.data.testvib.GamessIRTest.testtemperature) Is the temperature 298.15 K? ... ok testvibdisps (test.data.testvib.GamessIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GamessIRTest.testvibfconsts) ... skipped 'GAMESS-US cannot print force constants' testvibrmasses (test.data.testvib.GamessIRTest.testvibrmasses) ... ok testzeropointcorrection (test.data.testvib.GamessIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 15 tests in 0.002s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/dvb_ir.out: Customized vibrational frequency unittest *** testbasics (test.data.testvib.GaussianIRTest.testbasics) Are basic attributes correct? ... ok testenthalpy (test.data.testvib.GaussianIRTest.testenthalpy) Is the enthalpy reasonable ... ok testentropy (test.data.testvib.GaussianIRTest.testentropy) Is the entropy reasonable ... ok testfreeenergy (test.data.testvib.GaussianIRTest.testfreeenergy) Is the freeenergy reasonable ... ok testfreeenergyconsistency (test.data.testvib.GaussianIRTest.testfreeenergyconsistency) Does G = H - TS hold ... ok testfreqval (test.data.testvib.GaussianIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GaussianIRTest.testirintens) ... ok testlengths (test.data.testvib.GaussianIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testpressure (test.data.testvib.GaussianIRTest.testpressure) Is the pressure 1 atm? ... ok testtemperature (test.data.testvib.GaussianIRTest.testtemperature) Is the temperature 298.15 K? ... ok testvibdisps (test.data.testvib.GaussianIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GaussianIRTest.testvibfconsts) ... ok testvibrmasses (test.data.testvib.GaussianIRTest.testvibrmasses) ... ok testvibsyms (test.data.testvib.GaussianIRTest.testvibsyms) Is the length of vibsyms correct? ... ok testzeropointcorrection (test.data.testvib.GaussianIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 15 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_ir.out: Customized vibrational frequency unittest *** testbasics (test.data.testvib.GaussianIRTest.testbasics) Are basic attributes correct? ... ok testenthalpy (test.data.testvib.GaussianIRTest.testenthalpy) Is the enthalpy reasonable ... ok testentropy (test.data.testvib.GaussianIRTest.testentropy) Is the entropy reasonable ... ok testfreeenergy (test.data.testvib.GaussianIRTest.testfreeenergy) Is the freeenergy reasonable ... ok testfreeenergyconsistency (test.data.testvib.GaussianIRTest.testfreeenergyconsistency) Does G = H - TS hold ... ok testfreqval (test.data.testvib.GaussianIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GaussianIRTest.testirintens) ... ok testlengths (test.data.testvib.GaussianIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testpressure (test.data.testvib.GaussianIRTest.testpressure) Is the pressure 1 atm? ... ok testtemperature (test.data.testvib.GaussianIRTest.testtemperature) Is the temperature 298.15 K? ... ok testvibdisps (test.data.testvib.GaussianIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GaussianIRTest.testvibfconsts) ... ok testvibrmasses (test.data.testvib.GaussianIRTest.testvibrmasses) ... ok testvibsyms (test.data.testvib.GaussianIRTest.testvibsyms) Is the length of vibsyms correct? ... ok testzeropointcorrection (test.data.testvib.GaussianIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 15 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_ir_G16C01.out: Customized vibrational frequency unittest *** testbasics (test.data.testvib.GaussianIRTest.testbasics) Are basic attributes correct? ... ok testenthalpy (test.data.testvib.GaussianIRTest.testenthalpy) Is the enthalpy reasonable ... ok testentropy (test.data.testvib.GaussianIRTest.testentropy) Is the entropy reasonable ... ok testfreeenergy (test.data.testvib.GaussianIRTest.testfreeenergy) Is the freeenergy reasonable ... ok testfreeenergyconsistency (test.data.testvib.GaussianIRTest.testfreeenergyconsistency) Does G = H - TS hold ... ok testfreqval (test.data.testvib.GaussianIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GaussianIRTest.testirintens) ... ok testlengths (test.data.testvib.GaussianIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testpressure (test.data.testvib.GaussianIRTest.testpressure) Is the pressure 1 atm? ... ok testtemperature (test.data.testvib.GaussianIRTest.testtemperature) Is the temperature 298.15 K? ... ok testvibdisps (test.data.testvib.GaussianIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GaussianIRTest.testvibfconsts) ... ok testvibrmasses (test.data.testvib.GaussianIRTest.testvibrmasses) ... ok testvibsyms (test.data.testvib.GaussianIRTest.testvibsyms) Is the length of vibsyms correct? ... ok testzeropointcorrection (test.data.testvib.GaussianIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 15 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar7.0/dvb_ir.out: Customized vibrational frequency unittest *** testbasics (test.data.testvib.JaguarIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.JaguarIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.JaguarIRTest.testirintens) ... ok testlengths (test.data.testvib.JaguarIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.JaguarIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.JaguarIRTest.testvibfconsts) ... ok testvibrmasses (test.data.testvib.JaguarIRTest.testvibrmasses) ... ok testvibsyms (test.data.testvib.JaguarIRTest.testvibsyms) Is the length of vibsyms correct? ... ok testzeropointcorrection (test.data.testvib.JaguarIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 9 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicJaguar8.3/dvb_ir.out: Customized vibrational frequency unittest *** testbasics (test.data.testvib.JaguarIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.JaguarIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.JaguarIRTest.testirintens) ... ok testlengths (test.data.testvib.JaguarIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.JaguarIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.JaguarIRTest.testvibfconsts) ... ok testvibrmasses (test.data.testvib.JaguarIRTest.testvibrmasses) ... ok testvibsyms (test.data.testvib.JaguarIRTest.testvibsyms) Is the length of vibsyms correct? ... ok testzeropointcorrection (test.data.testvib.JaguarIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 9 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicOpenMolcas18.0/dvb_ir.out: Customized vibrational frequency unittest *** testbasics (test.data.testvib.MolcasIRTest.testbasics) Are basic attributes correct? ... ok testenthalpy (test.data.testvib.MolcasIRTest.testenthalpy) Is the enthalpy reasonable ... ok testentropy (test.data.testvib.MolcasIRTest.testentropy) Is the entropy reasonable ... ok testfreeenergy (test.data.testvib.MolcasIRTest.testfreeenergy) Is the freeenergy reasonable ... ok testfreeenergyconsistency (test.data.testvib.MolcasIRTest.testfreeenergyconsistency) Does G = H - TS hold ... ok testfreqval (test.data.testvib.MolcasIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.MolcasIRTest.testirintens) ... ok testlengths (test.data.testvib.MolcasIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testpressure (test.data.testvib.MolcasIRTest.testpressure) Is the pressure 1 atm? ... ok testtemperature (test.data.testvib.MolcasIRTest.testtemperature) Is the temperature 298.15 K? ... ok testvibdisps (test.data.testvib.MolcasIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.MolcasIRTest.testvibfconsts) ... skipped 'Molcas cannot print force constants' testvibrmasses (test.data.testvib.MolcasIRTest.testvibrmasses) ... ok testzeropointcorrection (test.data.testvib.MolcasIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 14 tests in 0.002s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2006/dvb_ir.out,dvb_ir.log: Generic vibrational frequency unittest *** testbasics (test.data.testvib.GenericIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.GenericIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok testlengths (test.data.testvib.GenericIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'Molpro cannot print force constants' testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'Molpro cannot print reduced masses' testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicMolpro2012/dvb_ir.out,dvb_ir.log: Generic vibrational frequency unittest *** testbasics (test.data.testvib.GenericIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.GenericIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok testlengths (test.data.testvib.GenericIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'Molpro cannot print force constants' testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'Molpro cannot print reduced masses' testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicNWChem7.0/dvb_ir.out: Generic imaginary vibrational frequency unittest *** testbasics (test.data.testvib.NWChemIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.NWChemIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.NWChemIRTest.testirintens) ... ok testlengths (test.data.testvib.NWChemIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.NWChemIRTest.testvibdisps) ... skipped 'Not implemented for this parser' testvibfconsts (test.data.testvib.NWChemIRTest.testvibfconsts) ... skipped 'Not implemented for this parser' testvibrmasses (test.data.testvib.NWChemIRTest.testvibrmasses) ... skipped 'Not implemented for this parser' testzeropointcorrection (test.data.testvib.NWChemIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=3) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/dvb_ir.out: Generic vibrational frequency unittest *** testbasics (test.data.testvib.GenericIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.GenericIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok testlengths (test.data.testvib.GenericIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'ORCA cannot print force constants' testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'ORCA cannot print reduced masses' testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/dvb_ir.out: Generic vibrational frequency unittest *** testbasics (test.data.testvib.GenericIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.GenericIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok testlengths (test.data.testvib.GenericIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'ORCA cannot print force constants' testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'ORCA cannot print reduced masses' testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/dvb_ir.out: Generic vibrational frequency unittest *** testbasics (test.data.testvib.GenericIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.GenericIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.GenericIRTest.testirintens) ... ok testlengths (test.data.testvib.GenericIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.GenericIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.GenericIRTest.testvibfconsts) ... skipped 'ORCA cannot print force constants' testvibrmasses (test.data.testvib.GenericIRTest.testvibrmasses) ... skipped 'ORCA cannot print reduced masses' testzeropointcorrection (test.data.testvib.GenericIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=2) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.2.1/dvb_ir_rhf.out: Customized vibrational frequency unittest *** testbasics (test.data.testvib.Psi4IRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.Psi4IRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.Psi4IRTest.testirintens) ... skipped 'Psi cannot print IR intensities' testlengths (test.data.testvib.Psi4IRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.Psi4IRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.Psi4IRTest.testvibfconsts) ... ok testvibrmasses (test.data.testvib.Psi4IRTest.testvibrmasses) ... ok testzeropointcorrection (test.data.testvib.Psi4IRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicPsi4-1.3.1/dvb_ir_rhf.out: Customized vibrational frequency unittest *** testbasics (test.data.testvib.Psi4IRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.Psi4IRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.Psi4IRTest.testirintens) ... skipped 'Psi cannot print IR intensities' testlengths (test.data.testvib.Psi4IRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.Psi4IRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.Psi4IRTest.testvibfconsts) ... ok testvibrmasses (test.data.testvib.Psi4IRTest.testvibrmasses) ... ok testzeropointcorrection (test.data.testvib.Psi4IRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/dvb_ir.out: Customized vibrational frequency unittest *** testatommasses (test.data.testvib.QChemIRTest.testatommasses) Do the atom masses sum up to the molecular mass (130078.25+-0.1mD)? ... ok testbasics (test.data.testvib.QChemIRTest.testbasics) Are basic attributes correct? ... ok testenthalpy (test.data.testvib.QChemIRTest.testenthalpy) Is the enthalpy reasonable ... ok testentropy (test.data.testvib.QChemIRTest.testentropy) Is the entropy reasonable ... ok testfreeenergy (test.data.testvib.QChemIRTest.testfreeenergy) Is the freeenergy reasonable ... ok testfreeenergyconsistency (test.data.testvib.QChemIRTest.testfreeenergyconsistency) Does G = H - TS hold ... ok testfreqval (test.data.testvib.QChemIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testhessian (test.data.testvib.QChemIRTest.testhessian) Do the frequencies from the Hessian match the printed frequencies? ... ok testirintens (test.data.testvib.QChemIRTest.testirintens) ... ok testlengths (test.data.testvib.QChemIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testpressure (test.data.testvib.QChemIRTest.testpressure) Is the pressure 1 atm? ... ok testtemperature (test.data.testvib.QChemIRTest.testtemperature) Is the temperature 298.15 K? ... ok testvibdisps (test.data.testvib.QChemIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.QChemIRTest.testvibfconsts) ... ok testvibrmasses (test.data.testvib.QChemIRTest.testvibrmasses) ... ok testzeropointcorrection (test.data.testvib.QChemIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 16 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/dvb_ir.out: Customized vibrational frequency unittest *** testatommasses (test.data.testvib.QChemIRTest.testatommasses) Do the atom masses sum up to the molecular mass (130078.25+-0.1mD)? ... ok testbasics (test.data.testvib.QChemIRTest.testbasics) Are basic attributes correct? ... ok testenthalpy (test.data.testvib.QChemIRTest.testenthalpy) Is the enthalpy reasonable ... ok testentropy (test.data.testvib.QChemIRTest.testentropy) Is the entropy reasonable ... ok testfreeenergy (test.data.testvib.QChemIRTest.testfreeenergy) Is the freeenergy reasonable ... ok testfreeenergyconsistency (test.data.testvib.QChemIRTest.testfreeenergyconsistency) Does G = H - TS hold ... ok testfreqval (test.data.testvib.QChemIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testhessian (test.data.testvib.QChemIRTest.testhessian) Do the frequencies from the Hessian match the printed frequencies? ... ok testirintens (test.data.testvib.QChemIRTest.testirintens) ... ok testlengths (test.data.testvib.QChemIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testpressure (test.data.testvib.QChemIRTest.testpressure) Is the pressure 1 atm? ... ok testtemperature (test.data.testvib.QChemIRTest.testtemperature) Is the temperature 298.15 K? ... ok testvibdisps (test.data.testvib.QChemIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.QChemIRTest.testvibfconsts) ... ok testvibrmasses (test.data.testvib.QChemIRTest.testvibrmasses) ... ok testzeropointcorrection (test.data.testvib.QChemIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 16 tests in 0.002s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicTurbomole5.9/dvb_ir/basis,dvb_ir/control,dvb_ir/mos,dvb_ir/aoforce.out: Customized vibrational frequency unittest *** testbasics (test.data.testvib.TurbomoleIRTest.testbasics) Are basic attributes correct? ... ok testfreqval (test.data.testvib.TurbomoleIRTest.testfreqval) Is the highest freq value 3630 +/- 200 wavenumber? ... ok testirintens (test.data.testvib.TurbomoleIRTest.testirintens) ... ok testlengths (test.data.testvib.TurbomoleIRTest.testlengths) Are the lengths of vibfreqs and vibirs (and if present, vibsyms, vibfconnsts and vibrmasses) correct? ... ok testvibdisps (test.data.testvib.TurbomoleIRTest.testvibdisps) ... ok testvibfconsts (test.data.testvib.TurbomoleIRTest.testvibfconsts) ... skipped 'Turbomole cannot print force constants' testvibrmasses (test.data.testvib.TurbomoleIRTest.testvibrmasses) ... ok testzeropointcorrection (test.data.testvib.TurbomoleIRTest.testzeropointcorrection) ... ok ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK (skipped=1) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2017/nh3_ts_ir.out: Generic imaginary vibrational frequency unittest *** testfreqval (test.data.testvib.GenericIRimgTest.testfreqval) Is the lowest freq value negative? ... ok testlengths (test.data.testvib.GenericIRimgTest.testlengths) Are the lengths of vibfreqs and vibirs correct? ... ok testvibdisps (test.data.testvib.GenericIRimgTest.testvibdisps) Are the dimensions of vibdisps consistent with numvib x N x 3 ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-US2018/nh3_ts_ir.out: Generic imaginary vibrational frequency unittest *** testfreqval (test.data.testvib.GenericIRimgTest.testfreqval) Is the lowest freq value negative? ... ok testlengths (test.data.testvib.GenericIRimgTest.testlengths) Are the lengths of vibfreqs and vibirs correct? ... ok testvibdisps (test.data.testvib.GenericIRimgTest.testvibdisps) Are the dimensions of vibdisps consistent with numvib x N x 3 ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicDALTON-2013/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.DALTONRamanTest.testlengths) Is the length of vibramans correct? ... ok testramanintens (test.data.testvib.DALTONRamanTest.testramanintens) Is the maximum Raman intensity correct? ... ok testvibdisps (test.data.testvib.DALTONRamanTest.testvibdisps) Is the length and value of vibdisps correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK7.0/dvb_raman.out: Generic Raman unittest *** testlengths (test.data.testvib.GenericRamanTest.testlengths) Is the length of vibramans correct? ... ok testramanintens (test.data.testvib.GenericRamanTest.testramanintens) Is the maximum Raman intensity correct? ... ok testvibdisps (test.data.testvib.GenericRamanTest.testvibdisps) Is the length and value of vibdisps correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGAMESS-UK8.0/dvb_raman.out: Generic Raman unittest *** testlengths (test.data.testvib.GenericRamanTest.testlengths) Is the length of vibramans correct? ... ok testramanintens (test.data.testvib.GenericRamanTest.testramanintens) Is the maximum Raman intensity correct? ... ok testvibdisps (test.data.testvib.GenericRamanTest.testvibdisps) Is the length and value of vibdisps correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicFirefly8.0/dvb_raman.out: Generic Raman unittest *** testlengths (test.data.testvib.GenericRamanTest.testlengths) Is the length of vibramans correct? ... ok testramanintens (test.data.testvib.GenericRamanTest.testramanintens) Is the maximum Raman intensity correct? ... ok testvibdisps (test.data.testvib.GenericRamanTest.testvibdisps) Is the length and value of vibdisps correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian09/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.GaussianRamanTest.testlengths) Is the length of vibramans correct? ... ok testramanintens (test.data.testvib.GaussianRamanTest.testramanintens) Is the maximum Raman intensity correct? ... ok testvibdisps (test.data.testvib.GaussianRamanTest.testvibdisps) Is the length and value of vibdisps correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicGaussian16/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.GaussianRamanTest.testlengths) Is the length of vibramans correct? ... ok testramanintens (test.data.testvib.GaussianRamanTest.testramanintens) Is the maximum Raman intensity correct? ... ok testvibdisps (test.data.testvib.GaussianRamanTest.testvibdisps) Is the length and value of vibdisps correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.1/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.OrcaRamanTest.testlengths) Is the length of vibramans correct? ... ok testramanintens (test.data.testvib.OrcaRamanTest.testramanintens) Is the maximum Raman intensity correct? ... ok testvibdisps (test.data.testvib.OrcaRamanTest.testvibdisps) Is the length and value of vibdisps correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA4.2/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.OrcaRamanTest.testlengths) Is the length of vibramans correct? ... ok testramanintens (test.data.testvib.OrcaRamanTest.testramanintens) Is the maximum Raman intensity correct? ... ok testvibdisps (test.data.testvib.OrcaRamanTest.testvibdisps) Is the length and value of vibdisps correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicORCA5.0/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.OrcaRamanTest.testlengths) Is the length of vibramans correct? ... ok testramanintens (test.data.testvib.OrcaRamanTest.testramanintens) Is the maximum Raman intensity correct? ... ok testvibdisps (test.data.testvib.OrcaRamanTest.testvibdisps) Is the length and value of vibdisps correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.1/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.QChemRamanTest.testlengths) Is the length of vibramans correct? ... ok testramanintens (test.data.testvib.QChemRamanTest.testramanintens) Is the maximum Raman intensity correct? ... ok testvibdisps (test.data.testvib.QChemRamanTest.testvibdisps) Is the length and value of vibdisps correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) *** basicQChem5.4/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.QChemRamanTest.testlengths) Is the length of vibramans correct? ... ok testramanintens (test.data.testvib.QChemRamanTest.testramanintens) Is the maximum Raman intensity correct? ... ok testvibdisps (test.data.testvib.QChemRamanTest.testvibdisps) Is the length and value of vibdisps correct? ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK ********* SUMMARY PER PACKAGE **************** Total Passed Failed Errors Skipped ADF 168 150 0 0 18 DALTON 347 295 0 0 52 FChk 54 35 0 0 19 GAMESS 360 330 0 0 30 GAMESSUK 256 234 0 0 22 Gaussian 376 365 0 0 11 Jaguar 264 227 0 0 37 MOPAC 21 10 0 0 11 Molcas 99 77 0 0 22 Molpro 201 176 0 0 25 NWChem 311 283 0 0 28 ORCA 348 318 0 0 30 Psi4 356 334 0 0 22 QChem 260 246 0 0 14 Turbomole 189 157 0 0 32 ********* SUMMARY OF EVERYTHING ************** TOTAL: 3610 PASSED: 3237 FAILED: 0 ERRORS: 0 SKIPPED: 373 *** Visual tests *** MO energies of optimised dvb ADF2013.01 DALTON2015 Firefly8.0 GAMESS-US2018Gaussian16 Jaguar8.0 Molpro2012 NWChem6.5 ORCA4.2 Psi4-1.3.1 QChem5.4 HOMO -3.3278 -4.0660 -6.3457 -4.0681 -4.1655 -4.1658 -4.0735 -4.1655 -4.0639 -4.1654 -4.1633 LUMO +0.1490 +1.1163 +5.6328 +1.1157 +1.0183 +1.0193 +1.1619 +1.0179 +1.1178 +1.0178 +1.0068 H-L 3.4768 5.1823 11.9785 5.1838 5.1838 5.1851 5.2355 5.1834 5.1817 5.1833 5.1702 + RPM_EC=0 ++ jobs -p + exit 0 Processing files: python3-cclib-1.7.1-2.20220618git8e6892a5.fc38.noarch Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.BU5hIq + umask 022 + cd /builddir/build/BUILD + cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b + DOCDIR=/builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/share/doc/python3-cclib + export LC_ALL=C + LC_ALL=C + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/share/doc/python3-cclib + cp -pr CHANGELOG /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/share/doc/python3-cclib + cp -pr ANNOUNCE /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/share/doc/python3-cclib + cp -pr THANKS /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/share/doc/python3-cclib + RPM_EC=0 ++ jobs -p + exit 0 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.pHNv6e + umask 022 + cd /builddir/build/BUILD + cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b + LICENSEDIR=/builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/share/licenses/python3-cclib + export LC_ALL=C + LC_ALL=C + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/share/licenses/python3-cclib + cp -pr LICENSE /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64/usr/share/licenses/python3-cclib + RPM_EC=0 ++ jobs -p + exit 0 Provides: python-cclib = 1.7.1-2.20220618git8e6892a5.fc38 python3-cclib = 1.7.1-2.20220618git8e6892a5.fc38 python3.11-cclib = 1.7.1-2.20220618git8e6892a5.fc38 python3.11dist(cclib) = 1.7.1 python3dist(cclib) = 1.7.1 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) = 3.11 python3.11dist(numpy) python3.11dist(packaging) >= 19 python3.11dist(periodictable) python3.11dist(scipy) >= 1.2 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64 Wrote: /builddir/build/RPMS/python3-cclib-1.7.1-2.20220618git8e6892a5.fc38.noarch.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.WBQ3ke + umask 022 + cd /builddir/build/BUILD + cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b + /usr/bin/rm -rf /builddir/build/BUILDROOT/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.x86_64 + RPM_EC=0 ++ jobs -p + exit 0 Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.hWk2UU + umask 022 + cd /builddir/build/BUILD + rm -rf cclib-8e6892a562b7916a465a808e2fce43ca7688592b cclib-8e6892a562b7916a465a808e2fce43ca7688592b.gemspec + RPM_EC=0 ++ jobs -p + exit 0 Finish: rpmbuild python-cclib-1.7.1-2.20220618git8e6892a5.fc38.src.rpm Finish: build phase for python-cclib-1.7.1-2.20220618git8e6892a5.fc38.src.rpm INFO: chroot_scan: 3 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-rawhide-x86_64-1662042480.271716/root/var/log/dnf.rpm.log /var/lib/mock/fedora-rawhide-x86_64-1662042480.271716/root/var/log/dnf.librepo.log /var/lib/mock/fedora-rawhide-x86_64-1662042480.271716/root/var/log/dnf.log INFO: Done(/var/lib/copr-rpmbuild/results/python-cclib-1.7.1-2.20220618git8e6892a5.fc38.src.rpm) Config(child) 1 minutes 25 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