Warning: Permanently added '44.192.54.22' (ED25519) to the list of known hosts. You can reproduce this build on your computer by running: sudo dnf install copr-rpmbuild /usr/bin/copr-rpmbuild --verbose --drop-resultdir --task-url https://copr.fedorainfracloud.org/backend/get-build-task/6955087-fedora-rawhide-x86_64 --chroot fedora-rawhide-x86_64 Version: 0.70 PID: 6030 Logging PID: 6031 Task: {'appstream': False, 'background': True, 'build_id': 6955087, 'buildroot_pkgs': [], 'chroot': 'fedora-rawhide-x86_64', 'enable_net': False, 'fedora_review': False, 'git_hash': '9ae21cde576788c959600ef0fabf2b4762be4674', 'git_repo': 'https://copr-dist-git.fedorainfracloud.org/git/psimovec/scipy-1.8.3/python-cclib', 'isolation': 'default', 'memory_reqs': 2048, 'package_name': 'python-cclib', 'package_version': '1.7.1-7.20220618git8e6892a5', 'project_dirname': 'scipy-1.8.3', 'project_name': 'scipy-1.8.3', 'project_owner': 'psimovec', 'repo_priority': None, 'repos': [{'baseurl': 'https://download.copr.fedorainfracloud.org/results/psimovec/scipy-1.8.3/fedora-rawhide-x86_64/', 'id': 'copr_base', 'name': 'Copr repository', 'priority': None}, {'baseurl': 'http://kojipkgs.fedoraproject.org/repos/rawhide/latest/$basearch/', 'id': 'http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch', 'name': 'Additional repo http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch'}], 'sandbox': 'psimovec/scipy-1.8.3--https://src.fedoraproject.org/user/releng', 'source_json': {}, 'source_type': None, 'submitter': 'https://src.fedoraproject.org/user/releng', 'tags': [], 'task_id': '6955087-fedora-rawhide-x86_64', 'timeout': 18000, 'uses_devel_repo': False, 'with_opts': [], 'without_opts': []} Running: git clone https://copr-dist-git.fedorainfracloud.org/git/psimovec/scipy-1.8.3/python-cclib /var/lib/copr-rpmbuild/workspace/workdir-trys8vx6/python-cclib --depth 500 --no-single-branch --recursive cmd: ['git', 'clone', 'https://copr-dist-git.fedorainfracloud.org/git/psimovec/scipy-1.8.3/python-cclib', '/var/lib/copr-rpmbuild/workspace/workdir-trys8vx6/python-cclib', '--depth', '500', '--no-single-branch', '--recursive'] cwd: . rc: 0 stdout: stderr: Cloning into '/var/lib/copr-rpmbuild/workspace/workdir-trys8vx6/python-cclib'... Running: git checkout 9ae21cde576788c959600ef0fabf2b4762be4674 -- cmd: ['git', 'checkout', '9ae21cde576788c959600ef0fabf2b4762be4674', '--'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-trys8vx6/python-cclib rc: 0 stdout: stderr: Note: switching to '9ae21cde576788c959600ef0fabf2b4762be4674'. 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 9ae21cd automatic import of python-cclib Running: copr-distgit-client sources cmd: ['copr-distgit-client', 'sources'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-trys8vx6/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: Reading stdout from command: curl --help all INFO: Calling: curl -H Pragma: -o cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz --location --connect-timeout 60 --retry 3 --retry-delay 10 --remote-time --show-error --fail --retry-all-errors https://copr-dist-git.fedorainfracloud.org/repo/pkgs/psimovec/scipy-1.8.3/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 /usr/bin/tail: /var/lib/copr-rpmbuild/main.log: file truncated 100 40.4M 100 40.4M 0 0 425M 0 --:--:-- --:--:-- --:--:-- 425M INFO: Reading stdout from command: md5sum cclib-8e6892a562b7916a465a808e2fce43ca7688592b.tar.gz Running (timeout=18000): unbuffer mock --spec /var/lib/copr-rpmbuild/workspace/workdir-trys8vx6/python-cclib/python-cclib.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-trys8vx6/python-cclib --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1706235937.436555 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 5.4 starting (python version = 3.11.3, NVR = mock-5.4-1.fc38), args: /usr/libexec/mock/mock --spec /var/lib/copr-rpmbuild/workspace/workdir-trys8vx6/python-cclib/python-cclib.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-trys8vx6/python-cclib --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1706235937.436555 -r /var/lib/copr-rpmbuild/results/configs/child.cfg Start(bootstrap): init plugins INFO: tmpfs initialized INFO: selinux enabled INFO: chroot_scan: initialized INFO: compress_logs: initialized Finish(bootstrap): init plugins Start: init plugins INFO: tmpfs initialized INFO: selinux enabled INFO: chroot_scan: initialized INFO: compress_logs: initialized Finish: init plugins INFO: Signal handler active Start: run INFO: Start(/var/lib/copr-rpmbuild/workspace/workdir-trys8vx6/python-cclib/python-cclib.spec) Config(fedora-rawhide-x86_64) Start: clean chroot Finish: clean chroot Mock Version: 5.4 INFO: Mock Version: 5.4 Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-x86_64-bootstrap-1706235937.436555/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start(bootstrap): cleaning package manager metadata Finish(bootstrap): cleaning package manager metadata INFO: Guessed host environment type: unknown INFO: Using bootstrap image: registry.fedoraproject.org/fedora:rawhide INFO: Pulling image: registry.fedoraproject.org/fedora:rawhide INFO: Copy content of container registry.fedoraproject.org/fedora:rawhide to /var/lib/mock/fedora-rawhide-x86_64-bootstrap-1706235937.436555/root INFO: Checking that registry.fedoraproject.org/fedora:rawhide image matches host's architecture INFO: mounting registry.fedoraproject.org/fedora:rawhide with podman image mount INFO: image registry.fedoraproject.org/fedora:rawhide as /var/lib/containers/storage/overlay/d73b0d06a4f1f0d332b0d3c8b8bceb13634b9e10a9812375c5e01eb5ed4b256e/merged INFO: umounting image registry.fedoraproject.org/fedora:rawhide (/var/lib/containers/storage/overlay/d73b0d06a4f1f0d332b0d3c8b8bceb13634b9e10a9812375c5e01eb5ed4b256e/merged) with podman image umount INFO: Using 'dnf' instead of 'dnf5' for bootstrap chroot INFO: Package manager dnf detected and used (fallback) INFO: Bootstrap image not marked ready Start(bootstrap): installing dnf5 tooling No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 38 MB/s | 2.8 MB 00:00 Additional repo http_kojipkgs_fedoraproject_org 275 MB/s | 73 MB 00:00 fedora 17 MB/s | 75 MB 00:04 Dependencies resolved. ========================================================================================================== Package Arch Version Repository Size ========================================================================================================== Installing: dnf5 x86_64 5.1.11-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 543 k dnf5-plugins x86_64 5.1.11-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 329 k Installing dependencies: fmt x86_64 10.2.1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 125 k libdnf5 x86_64 5.1.11-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 926 k libdnf5-cli x86_64 5.1.11-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 219 k sdbus-cpp x86_64 1.4.0-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 109 k Transaction Summary ========================================================================================================== Install 6 Packages Total download size: 2.2 M Installed size: 6.1 M Downloading Packages: (1/6): fmt-10.2.1-1.fc40.x86_64.rpm 4.1 MB/s | 125 kB 00:00 (2/6): dnf5-plugins-5.1.11-1.fc40.x86_64.rpm 10 MB/s | 329 kB 00:00 (3/6): libdnf5-cli-5.1.11-1.fc40.x86_64.rpm 20 MB/s | 219 kB 00:00 (4/6): libdnf5-5.1.11-1.fc40.x86_64.rpm 62 MB/s | 926 kB 00:00 (5/6): dnf5-5.1.11-1.fc40.x86_64.rpm 11 MB/s | 543 kB 00:00 (6/6): sdbus-cpp-1.4.0-1.fc40.x86_64.rpm 14 MB/s | 109 kB 00:00 -------------------------------------------------------------------------------- Total 42 MB/s | 2.2 MB 00:00 Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Preparing : 1/1 Installing : fmt-10.2.1-1.fc40.x86_64 1/6 Installing : libdnf5-5.1.11-1.fc40.x86_64 2/6 Installing : libdnf5-cli-5.1.11-1.fc40.x86_64 3/6 Installing : dnf5-5.1.11-1.fc40.x86_64 4/6 Installing : sdbus-cpp-1.4.0-1.fc40.x86_64 5/6 Installing : dnf5-plugins-5.1.11-1.fc40.x86_64 6/6 Running scriptlet: dnf5-plugins-5.1.11-1.fc40.x86_64 6/6 Installed: dnf5-5.1.11-1.fc40.x86_64 dnf5-plugins-5.1.11-1.fc40.x86_64 fmt-10.2.1-1.fc40.x86_64 libdnf5-5.1.11-1.fc40.x86_64 libdnf5-cli-5.1.11-1.fc40.x86_64 sdbus-cpp-1.4.0-1.fc40.x86_64 Complete! INFO: Switching package manager from dnf to the dnf5 (direct choice) Finish(bootstrap): installing dnf5 tooling 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_64-1706235937.436555/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start: cleaning package manager metadata Finish: cleaning package manager metadata INFO: enabled HW Info plugin INFO: Package manager dnf5 detected and used (direct choice) INFO: Buildroot is handled by package management downloaded with a bootstrap image: rpm-4.19.1-2.fc40.x86_64 rpm-sequoia-1.5.0-2.fc40.x86_64 python3-dnf-4.18.2-1.fc40.noarch yum-4.18.2-1.fc40.noarch dnf5-5.1.11-1.fc40.x86_64 dnf5-plugins-5.1.11-1.fc40.x86_64 Start: installing minimal buildroot with dnf5 Updating and loading repositories: fedora 100% | 20.0 MiB/s | 20.7 MiB | 00m01s Copr repository 100% | 13.5 MiB/s | 498.0 KiB | 00m00s Additional repo http_kojipkgs_fedorapr 100% | 152.3 MiB/s | 17.1 MiB | 00m00s Repositories loaded. Package Arch Version Repository Size Installing group/module packages: bash x86_64 5.2.26-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.1 MiB bzip2 x86_64 1.0.8-16.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 91.5 KiB coreutils x86_64 9.4-3.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 5.8 MiB cpio x86_64 2.15-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.1 MiB diffutils x86_64 3.10-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.6 MiB fedora-release-common noarch 40-0.29 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 19.1 KiB findutils x86_64 1:4.9.0-6.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.5 MiB gawk x86_64 5.3.0-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.7 MiB glibc-minimal-langpack x86_64 2.38.9000-35.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 0.0 B grep x86_64 3.11-5.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 MiB gzip x86_64 1.12-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 372.0 KiB info x86_64 7.1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 373.6 KiB patch x86_64 2.7.6-22.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 254.6 KiB redhat-rpm-config noarch 280-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 183.2 KiB rpm-build x86_64 4.19.1-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 181.2 KiB sed x86_64 4.8-14.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 797.8 KiB shadow-utils x86_64 2:4.14.0-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 4.0 MiB tar x86_64 2:1.35-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.0 MiB unzip x86_64 6.0-62.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 394.6 KiB util-linux x86_64 2.39.3-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.5 MiB which x86_64 2.21-40.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 80.1 KiB xz x86_64 5.4.5-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.0 MiB Installing dependencies: alternatives x86_64 1.26-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 62.3 KiB ansible-srpm-macros noarch 1-12.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 35.7 KiB audit-libs x86_64 4.0-5.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 311.3 KiB authselect x86_64 1.5.0-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 156.5 KiB authselect-libs x86_64 1.5.0-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 987.8 KiB basesystem noarch 11-18.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 0.0 B binutils x86_64 2.41-30.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 26.4 MiB binutils-gold x86_64 2.41-30.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.0 MiB bzip2-libs x86_64 1.0.8-16.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 80.6 KiB ca-certificates noarch 2023.2.62_v7.0.401-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.3 MiB coreutils-common x86_64 9.4-3.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 11.4 MiB cracklib x86_64 2.9.11-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 246.6 KiB crypto-policies noarch 20231204-1.git1e3a2e4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 149.3 KiB curl x86_64 8.5.0-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 794.4 KiB cyrus-sasl-lib x86_64 2.1.28-17.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.3 MiB debugedit x86_64 5.0-12.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 198.8 KiB dwz x86_64 0.15-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 282.9 KiB ed x86_64 1.20-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 146.4 KiB efi-srpm-macros noarch 5-9.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 40.1 KiB elfutils x86_64 0.190-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.8 MiB elfutils-debuginfod-client x86_64 0.190-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 60.7 KiB elfutils-default-yama-scope noarch 0.190-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.8 KiB elfutils-libelf x86_64 0.190-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 MiB elfutils-libs x86_64 0.190-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 690.0 KiB fedora-gpg-keys noarch 40-0.2 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 123.2 KiB fedora-release noarch 40-0.29 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 0.0 B fedora-release-identity-basic noarch 40-0.29 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 694.0 B fedora-repos noarch 40-0.2 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 4.9 KiB fedora-repos-rawhide noarch 40-0.2 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.2 KiB file x86_64 5.45-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 103.4 KiB file-libs x86_64 5.45-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.9 MiB filesystem x86_64 3.18-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 106.0 B fonts-srpm-macros noarch 1:2.0.5-12.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 55.3 KiB forge-srpm-macros noarch 0.2.0-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 37.4 KiB fpc-srpm-macros noarch 1.3-8.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 144.0 B gdb-minimal x86_64 14.1-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 12.3 MiB gdbm x86_64 1:1.23-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 472.5 KiB gdbm-libs x86_64 1:1.23-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 125.7 KiB ghc-srpm-macros noarch 1.6.1-3.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 369.0 B glibc x86_64 2.38.9000-35.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 6.7 MiB glibc-common x86_64 2.38.9000-35.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 MiB glibc-gconv-extra x86_64 2.38.9000-35.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 7.8 MiB gmp x86_64 1:6.2.1-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 798.5 KiB gnat-srpm-macros noarch 6-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 KiB go-srpm-macros noarch 3.3.1-1.fc40 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KiB pcre2 x86_64 10.42-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 633.4 KiB pcre2-syntax noarch 10.42-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 235.1 KiB perl-srpm-macros noarch 1-51.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 861.0 B pkgconf x86_64 1.9.5-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 83.7 KiB pkgconf-m4 noarch 1.9.5-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 13.9 KiB pkgconf-pkg-config x86_64 1.9.5-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 989.0 B popt x86_64 1.19-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 136.8 KiB publicsuffix-list-dafsa noarch 20240107-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 67.5 KiB pyproject-srpm-macros noarch 1.11.0-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.5 KiB python-srpm-macros noarch 3.12-7.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 50.1 KiB qt5-srpm-macros noarch 5.15.12-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 492.0 B qt6-srpm-macros noarch 6.6.1-3.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 456.0 B readline x86_64 8.2-7.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 489.2 KiB rpm x86_64 4.19.1-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.0 MiB rpm-build-libs x86_64 4.19.1-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 202.3 KiB rpm-libs x86_64 4.19.1-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 749.7 KiB rpm-sequoia x86_64 1.5.0-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.3 MiB rust-srpm-macros noarch 25.2-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 5.1 KiB setup noarch 2.14.5-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 720.4 KiB sqlite-libs x86_64 3.45.0-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.4 MiB systemd-libs x86_64 255.3-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 MiB util-linux-core x86_64 2.39.3-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.4 MiB xxhash-libs x86_64 0.8.2-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 88.4 KiB xz-libs x86_64 5.4.5-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 209.7 KiB zig-srpm-macros noarch 1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.1 KiB zip x86_64 3.0-39.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 711.2 KiB zlib-ng-compat x86_64 2.1.6-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 130.0 KiB zstd x86_64 1.5.5-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.6 MiB Installing groups: Buildsystem building group Transaction Summary: Installing: 152 packages Total size of inbound packages is 52 MiB. Need to download 52 MiB. After this operation 178 MiB will be used (install 178 MiB, remove 0 B). [ 1/152] bzip2-0:1.0.8-16.fc39.x86_64 100% | 2.2 MiB/s | 52.3 KiB | 00m00s [ 2/152] bash-0:5.2.26-1.fc40.x86_64 100% | 59.5 MiB/s | 1.8 MiB | 00m00s [ 3/152] cpio-0:2.15-1.fc40.x86_64 100% | 23.2 MiB/s | 285.1 KiB | 00m00s [ 4/152] coreutils-0:9.4-3.fc40.x86_64 100% | 27.5 MiB/s | 1.1 MiB | 00m00s [ 5/152] diffutils-0:3.10-3.fc39.x86_6 100% | 29.3 MiB/s | 389.6 KiB | 00m00s [ 6/152] fedora-release-common-0:40-0. 100% | 2.9 MiB/s | 20.5 KiB | 00m00s [ 7/152] findutils-1:4.9.0-6.fc40.x86_ 100% | 67.2 MiB/s | 482.0 KiB | 00m00s [ 8/152] glibc-minimal-langpack-0:2.38 100% | 18.8 MiB/s | 96.5 KiB | 00m00s [ 9/152] gzip-0:1.12-6.fc39.x86_64 100% | 22.2 MiB/s | 159.1 KiB | 00m00s [ 10/152] gawk-0:5.3.0-1.fc40.x86_64 100% | 75.6 MiB/s | 1.1 MiB | 00m00s [ 11/152] grep-0:3.11-5.fc40.x86_64 100% | 25.5 MiB/s | 287.4 KiB | 00m00s [ 12/152] info-0:7.1-1.fc40.x86_64 100% | 25.7 MiB/s | 184.5 KiB | 00m00s [ 13/152] redhat-rpm-config-0:280-1.fc4 100% | 18.4 MiB/s | 75.2 KiB | 00m00s [ 14/152] patch-0:2.7.6-22.fc39.x86_64 100% | 17.5 MiB/s | 125.4 KiB | 00m00s [ 15/152] rpm-build-0:4.19.1-2.fc40.x86 100% | 10.0 MiB/s | 71.8 KiB | 00m00s [ 16/152] sed-0:4.8-14.fc39.x86_64 100% | 26.4 MiB/s | 297.5 KiB | 00m00s [ 17/152] shadow-utils-2:4.14.0-2.fc40. 100% | 120.5 MiB/s | 1.2 MiB | 00m00s [ 18/152] tar-2:1.35-2.fc40.x86_64 100% | 92.7 MiB/s | 854.6 KiB | 00m00s [ 19/152] unzip-0:6.0-62.fc39.x86_64 100% | 25.7 MiB/s | 184.4 KiB | 00m00s [ 20/152] util-linux-0:2.39.3-4.fc40.x8 100% | 91.9 MiB/s | 1.1 MiB | 00m00s [ 21/152] xz-0:5.4.5-1.fc40.x86_64 100% | 74.1 MiB/s | 531.3 KiB | 00m00s [ 22/152] which-0:2.21-40.fc39.x86_64 100% | 4.5 MiB/s | 41.8 KiB | 00m00s [ 23/152] glibc-common-0:2.38.9000-35.f 100% | 52.5 MiB/s | 376.5 KiB | 00m00s [ 24/152] libblkid-0:2.39.3-4.fc40.x86_ 100% | 18.6 MiB/s | 114.4 KiB | 00m00s [ 25/152] libfdisk-0:2.39.3-4.fc40.x86_ 100% | 25.9 MiB/s | 159.3 KiB | 00m00s [ 26/152] libmount-0:2.39.3-4.fc40.x86_ 100% | 10.7 MiB/s | 153.9 KiB | 00m00s [ 27/152] glibc-0:2.38.9000-35.fc40.x86 100% | 82.3 MiB/s | 2.2 MiB | 00m00s [ 28/152] libsmartcols-0:2.39.3-4.fc40. 100% | 5.1 MiB/s | 67.6 KiB | 00m00s [ 29/152] libuuid-0:2.39.3-4.fc40.x86_6 100% | 6.9 MiB/s | 28.4 KiB | 00m00s [ 30/152] xz-libs-0:5.4.5-1.fc40.x86_64 100% | 26.5 MiB/s | 108.4 KiB | 00m00s [ 31/152] libselinux-0:3.6-2.fc40.x86_6 100% | 17.2 MiB/s | 87.8 KiB | 00m00s [ 32/152] glibc-gconv-extra-0:2.38.9000 100% | 135.7 MiB/s | 1.6 MiB | 00m00s [ 33/152] util-linux-core-0:2.39.3-4.fc 100% | 34.1 MiB/s | 489.5 KiB | 00m00s [ 34/152] libxcrypt-0:4.4.36-4.fc40.x86 100% | 19.3 MiB/s | 118.4 KiB | 00m00s [ 35/152] ncurses-libs-0:6.4-9.20240113 100% | 46.4 MiB/s | 332.4 KiB | 00m00s [ 36/152] systemd-libs-0:255.3-1.fc40.x 100% | 86.3 MiB/s | 707.0 KiB | 00m00s [ 37/152] audit-libs-0:4.0-5.fc40.x86_6 100% | 16.7 MiB/s | 119.9 KiB | 00m00s [ 38/152] libcap-ng-0:0.8.4-2.fc40.x86_ 100% | 10.6 MiB/s | 32.6 KiB | 00m00s [ 39/152] authselect-libs-0:1.5.0-1.fc4 100% | 32.6 MiB/s | 233.5 KiB | 00m00s [ 40/152] libutempter-0:1.2.1-10.fc39.x 100% | 4.3 MiB/s | 26.3 KiB | 00m00s [ 41/152] pam-0:1.6.0-1.fc40.x86_64 100% | 63.0 MiB/s | 516.0 KiB | 00m00s [ 42/152] readline-0:8.2-7.fc40.x86_64 100% | 41.6 MiB/s | 213.2 KiB | 00m00s [ 43/152] pam-libs-0:1.6.0-1.fc40.x86_6 100% | 7.9 MiB/s | 56.9 KiB | 00m00s [ 44/152] zlib-ng-compat-0:2.1.6-1.fc40 100% | 18.7 MiB/s | 76.4 KiB | 00m00s [ 45/152] libacl-0:2.3.2-1.fc40.x86_64 100% | 6.0 MiB/s | 24.4 KiB | 00m00s [ 46/152] bzip2-libs-0:1.0.8-16.fc39.x8 100% | 10.1 MiB/s | 41.3 KiB | 00m00s [ 47/152] libcap-0:2.69-1.fc40.x86_64 100% | 13.5 MiB/s | 83.1 KiB | 00m00s [ 48/152] libgcc-0:14.0.1-0.2.fc40.x86_ 100% | 26.9 MiB/s | 110.1 KiB | 00m00s [ 49/152] libzstd-0:1.5.5-4.fc39.x86_64 100% | 60.3 MiB/s | 308.6 KiB | 00m00s [ 50/152] lz4-libs-0:1.9.4-4.fc39.x86_6 100% | 10.9 MiB/s | 66.7 KiB | 00m00s [ 51/152] libattr-0:2.5.2-1.fc40.x86_64 100% | 2.9 MiB/s | 18.0 KiB | 00m00s [ 52/152] libsemanage-0:3.6-1.fc40.x86_ 100% | 28.3 MiB/s | 116.1 KiB | 00m00s [ 53/152] setup-0:2.14.5-1.fc40.noarch 100% | 36.2 MiB/s | 148.1 KiB | 00m00s [ 54/152] libeconf-0:0.5.2-1.fc40.x86_6 100% | 2.7 MiB/s | 30.1 KiB | 00m00s [ 55/152] debugedit-0:5.0-12.fc40.x86_6 100% | 19.1 MiB/s | 78.4 KiB | 00m00s [ 56/152] elfutils-0:0.190-4.fc40.x86_6 100% | 44.3 MiB/s | 544.6 KiB | 00m00s [ 57/152] elfutils-libelf-0:0.190-4.fc4 100% | 13.6 MiB/s | 194.3 KiB | 00m00s [ 58/152] file-0:5.45-1.fc40.x86_64 100% | 6.9 MiB/s | 49.2 KiB | 00m00s [ 59/152] binutils-0:2.41-30.fc40.x86_6 100% | 214.3 MiB/s | 6.2 MiB | 00m00s [ 60/152] pkgconf-pkg-config-0:1.9.5-2. 100% | 1.6 MiB/s | 9.6 KiB | 00m00s [ 61/152] popt-0:1.19-3.fc39.x86_64 100% | 8.3 MiB/s | 59.2 KiB | 00m00s [ 62/152] rpm-build-libs-0:4.19.1-2.fc4 100% | 18.8 MiB/s | 96.1 KiB | 00m00s [ 63/152] rpm-0:4.19.1-2.fc40.x86_64 100% | 83.1 MiB/s | 510.6 KiB | 00m00s [ 64/152] rpm-libs-0:4.19.1-2.fc40.x86_ 100% | 50.9 MiB/s | 312.5 KiB | 00m00s [ 65/152] zstd-0:1.5.5-4.fc39.x86_64 100% | 78.5 MiB/s | 482.3 KiB | 00m00s [ 66/152] libarchive-0:3.7.2-1.fc40.x86 100% | 66.4 MiB/s | 407.9 KiB | 00m00s [ 67/152] ansible-srpm-macros-0:1-12.fc 100% | 5.1 MiB/s | 20.9 KiB | 00m00s [ 68/152] dwz-0:0.15-3.fc39.x86_64 100% | 32.7 MiB/s | 134.1 KiB | 00m00s [ 69/152] fonts-srpm-macros-1:2.0.5-12. 100% | 6.5 MiB/s | 26.5 KiB | 00m00s [ 70/152] forge-srpm-macros-0:0.2.0-1.f 100% | 6.0 MiB/s | 18.5 KiB | 00m00s [ 71/152] efi-srpm-macros-0:5-9.fc39.no 100% | 2.7 MiB/s | 22.2 KiB | 00m00s [ 72/152] fpc-srpm-macros-0:1.3-8.fc39. 100% | 2.4 MiB/s | 7.4 KiB | 00m00s [ 73/152] ghc-srpm-macros-0:1.6.1-3.fc4 100% | 2.6 MiB/s | 8.1 KiB | 00m00s [ 74/152] gnat-srpm-macros-0:6-3.fc39.n 100% | 2.9 MiB/s | 8.8 KiB | 00m00s [ 75/152] go-srpm-macros-0:3.3.1-1.fc40 100% | 9.0 MiB/s | 27.7 KiB | 00m00s [ 76/152] kernel-srpm-macros-0:1.0-20.f 100% | 3.4 MiB/s | 10.5 KiB | 00m00s [ 77/152] lua-srpm-macros-0:1-9.fc39.no 100% | 2.8 MiB/s | 8.6 KiB | 00m00s [ 78/152] ocaml-srpm-macros-0:9-1.fc40. 100% | 2.2 MiB/s | 9.0 KiB | 00m00s [ 79/152] openblas-srpm-macros-0:2-14.f 100% | 2.5 MiB/s | 7.5 KiB | 00m00s [ 80/152] package-notes-srpm-macros-0:0 100% | 3.6 MiB/s | 11.2 KiB | 00m00s [ 81/152] perl-srpm-macros-0:1-51.fc39. 100% | 1.6 MiB/s | 8.0 KiB | 00m00s [ 82/152] python-srpm-macros-0:3.12-7.f 100% | 7.8 MiB/s | 23.8 KiB | 00m00s [ 83/152] qt5-srpm-macros-0:5.15.12-1.f 100% | 2.7 MiB/s | 8.4 KiB | 00m00s [ 84/152] pyproject-srpm-macros-0:1.11. 100% | 1.8 MiB/s | 14.8 KiB | 00m00s [ 85/152] qt6-srpm-macros-0:6.6.1-3.fc4 100% | 2.9 MiB/s | 8.8 KiB | 00m00s [ 86/152] rust-srpm-macros-0:25.2-2.fc4 100% | 4.2 MiB/s | 13.0 KiB | 00m00s [ 87/152] zig-srpm-macros-0:1-1.fc40.no 100% | 2.6 MiB/s | 8.0 KiB | 00m00s [ 88/152] zip-0:3.0-39.fc40.x86_64 100% | 51.9 MiB/s | 265.6 KiB | 00m00s [ 89/152] pkgconf-m4-0:1.9.5-2.fc39.noa 100% | 4.5 MiB/s | 13.9 KiB | 00m00s [ 90/152] libpkgconf-0:1.9.5-2.fc39.x86 100% | 9.2 MiB/s | 37.7 KiB | 00m00s [ 91/152] ed-0:1.20-1.fc40.x86_64 100% | 19.9 MiB/s | 81.7 KiB | 00m00s [ 92/152] pkgconf-0:1.9.5-2.fc39.x86_64 100% | 4.6 MiB/s | 42.5 KiB | 00m00s [ 93/152] gdbm-libs-1:1.23-4.fc39.x86_6 100% | 13.7 MiB/s | 56.1 KiB | 00m00s [ 94/152] authselect-0:1.5.0-1.fc40.x86 100% | 15.6 MiB/s | 143.8 KiB | 00m00s [ 95/152] gdbm-1:1.23-4.fc39.x86_64 100% | 14.6 MiB/s | 149.6 KiB | 00m00s [ 96/152] libnsl2-0:2.0.0-6.fc39.x86_64 100% | 2.2 MiB/s | 29.7 KiB | 00m00s [ 97/152] libtirpc-0:1.3.4-1.rc1.fc40.x 100% | 5.1 MiB/s | 93.7 KiB | 00m00s [ 98/152] openssl-libs-1:3.1.4-1.fc40.x 100% | 167.4 MiB/s | 2.2 MiB | 00m00s [ 99/152] libpwquality-0:1.4.5-6.fc39.x 100% | 4.6 MiB/s | 108.3 KiB | 00m00s [100/152] ca-certificates-0:2023.2.62_v 100% | 105.3 MiB/s | 862.6 KiB | 00m00s [101/152] crypto-policies-0:20231204-1. 100% | 13.4 MiB/s | 68.7 KiB | 00m00s [102/152] ncurses-base-0:6.4-9.20240113 100% | 10.3 MiB/s | 63.5 KiB | 00m00s [103/152] libcom_err-0:1.47.0-2.fc39.x8 100% | 6.3 MiB/s | 26.0 KiB | 00m00s [104/152] krb5-libs-0:1.21.2-3.fc40.x86 100% | 91.7 MiB/s | 751.5 KiB | 00m00s [105/152] libsepol-0:3.6-1.fc40.x86_64 100% | 41.5 MiB/s | 339.7 KiB | 00m00s [106/152] pcre2-0:10.42-2.fc40.x86_64 100% | 22.8 MiB/s | 233.2 KiB | 00m00s [107/152] libxml2-0:2.12.4-1.fc40.x86_6 100% | 95.2 MiB/s | 682.6 KiB | 00m00s [108/152] cracklib-0:2.9.11-2.fc39.x86_ 100% | 7.3 MiB/s | 82.7 KiB | 00m00s [109/152] keyutils-libs-0:1.6.3-1.fc40. 100% | 7.6 MiB/s | 31.3 KiB | 00m00s [110/152] libverto-0:0.3.2-6.fc39.x86_6 100% | 5.0 MiB/s | 20.4 KiB | 00m00s [111/152] basesystem-0:11-18.fc39.noarc 100% | 2.3 MiB/s | 7.2 KiB | 00m00s [112/152] filesystem-0:3.18-6.fc39.x86_ 100% | 133.6 MiB/s | 1.1 MiB | 00m00s [113/152] gmp-1:6.2.1-5.fc39.x86_64 100% | 43.6 MiB/s | 312.6 KiB | 00m00s [114/152] mpfr-0:4.2.1-1.fc40.x86_64 100% | 47.8 MiB/s | 342.8 KiB | 00m00s [115/152] fedora-repos-0:40-0.2.noarch 100% | 3.0 MiB/s | 9.3 KiB | 00m00s [116/152] libstdc++-0:14.0.1-0.2.fc40.x 100% | 121.3 MiB/s | 869.5 KiB | 00m00s [117/152] elfutils-libs-0:0.190-4.fc40. 100% | 23.0 MiB/s | 258.7 KiB | 00m00s [118/152] file-libs-0:5.45-1.fc40.x86_6 100% | 49.7 MiB/s | 763.2 KiB | 00m00s [119/152] p11-kit-0:0.25.3-1.fc40.x86_6 100% | 62.0 MiB/s | 507.6 KiB | 00m00s [120/152] p11-kit-trust-0:0.25.3-1.fc40 100% | 19.7 MiB/s | 141.5 KiB | 00m00s [121/152] coreutils-common-0:9.4-3.fc40 100% | 141.7 MiB/s | 2.1 MiB | 00m00s [122/152] alternatives-0:1.26-1.fc40.x8 100% | 9.7 MiB/s | 39.6 KiB | 00m00s [123/152] elfutils-debuginfod-client-0: 100% | 7.3 MiB/s | 37.6 KiB | 00m00s [124/152] jansson-0:2.13.1-7.fc39.x86_6 100% | 8.6 MiB/s | 44.1 KiB | 00m00s [125/152] binutils-gold-0:2.41-30.fc40. 100% | 84.8 MiB/s | 781.8 KiB | 00m00s [126/152] lua-libs-0:5.4.6-3.fc39.x86_6 100% | 25.9 MiB/s | 132.7 KiB | 00m00s [127/152] rpm-sequoia-0:1.5.0-2.fc40.x8 100% | 122.6 MiB/s | 878.7 KiB | 00m00s [128/152] sqlite-libs-0:3.45.0-1.fc40.x 100% | 68.8 MiB/s | 704.4 KiB | 00m00s [129/152] libgomp-0:14.0.1-0.2.fc40.x86 100% | 45.7 MiB/s | 327.4 KiB | 00m00s [130/152] pcre2-syntax-0:10.42-2.fc40.n 100% | 23.3 MiB/s | 143.1 KiB | 00m00s [131/152] libffi-0:3.4.4-5.fc40.x86_64 100% | 9.6 MiB/s | 39.4 KiB | 00m00s [132/152] libtasn1-0:4.19.0-3.fc39.x86_ 100% | 14.5 MiB/s | 74.2 KiB | 00m00s [133/152] fedora-gpg-keys-0:40-0.2.noar 100% | 29.1 MiB/s | 119.4 KiB | 00m00s [134/152] fedora-repos-rawhide-0:40-0.2 100% | 2.9 MiB/s | 8.9 KiB | 00m00s [135/152] elfutils-default-yama-scope-0 100% | 3.1 MiB/s | 12.8 KiB | 00m00s [136/152] fedora-release-0:40-0.29.noar 100% | 2.4 MiB/s | 10.0 KiB | 00m00s [137/152] curl-0:8.5.0-2.fc40.x86_64 100% | 59.8 MiB/s | 367.5 KiB | 00m00s [138/152] xxhash-libs-0:0.8.2-1.fc39.x8 100% | 7.3 MiB/s | 37.3 KiB | 00m00s [139/152] fedora-release-identity-basic 100% | 2.6 MiB/s | 10.8 KiB | 00m00s [140/152] libcurl-0:8.5.0-2.fc40.x86_64 100% | 47.9 MiB/s | 343.2 KiB | 00m00s [141/152] gdb-minimal-0:14.1-4.fc40.x86 100% | 209.4 MiB/s | 4.2 MiB | 00m00s [142/152] libbrotli-0:1.1.0-1.fc40.x86_ 100% | 41.0 MiB/s | 335.9 KiB | 00m00s [143/152] libidn2-0:2.3.4-3.fc39.x86_64 100% | 18.0 MiB/s | 110.6 KiB | 00m00s [144/152] libnghttp2-0:1.59.0-1.fc40.x8 100% | 18.3 MiB/s | 75.1 KiB | 00m00s [145/152] libpsl-0:0.21.5-1.fc40.x86_64 100% | 15.4 MiB/s | 63.3 KiB | 00m00s [146/152] libssh-0:0.10.6-2.fc40.x86_64 100% | 51.9 MiB/s | 212.5 KiB | 00m00s [147/152] openldap-0:2.6.6-1.fc39.x86_6 100% | 49.8 MiB/s | 254.8 KiB | 00m00s [148/152] cyrus-sasl-lib-0:2.1.28-17.fc 100% | 110.1 MiB/s | 789.0 KiB | 00m00s [149/152] libevent-0:2.1.12-9.fc39.x86_ 100% | 50.3 MiB/s | 257.7 KiB | 00m00s [150/152] libssh-config-0:0.10.6-2.fc40 100% | 2.2 MiB/s | 9.1 KiB | 00m00s [151/152] publicsuffix-list-dafsa-0:202 100% | 11.3 MiB/s | 58.0 KiB | 00m00s [152/152] libunistring-0:1.1-5.fc40.x86 100% | 88.4 MiB/s | 543.2 KiB | 00m00s -------------------------------------------------------------------------------- [152/152] Total 100% | 122.6 MiB/s | 51.8 MiB | 00m00s Running transaction [ 1/154] Verify package files 100% | 1.0 KiB/s | 152.0 B | 00m00s >>> Running pre-transaction scriptlet: filesystem-0:3.18-6.fc39.x86_64 >>> Stop pre-transaction scriptlet: filesystem-0:3.18-6.fc39.x86_64 [ 2/154] Prepare transaction 100% | 4.5 KiB/s | 152.0 B | 00m00s [ 3/154] Installing libgcc-0:14.0.1-0. 100% | 265.9 MiB/s | 272.3 KiB | 00m00s >>> Running post-install scriptlet: libgcc-0:14.0.1-0.2.fc40.x86_64 >>> Stop post-install scriptlet: libgcc-0:14.0.1-0.2.fc40.x86_64 [ 4/154] Installing crypto-policies-0: 100% | 44.4 MiB/s | 181.7 KiB | 00m00s >>> Running post-install scriptlet: crypto-policies-0:20231204-1.git1e3a2e4.fc40 >>> Stop post-install scriptlet: crypto-policies-0:20231204-1.git1e3a2e4.fc40.no [ 5/154] Installing fedora-release-ide 100% | 0.0 B/s | 952.0 B | 00m00s [ 6/154] Installing fedora-gpg-keys-0: 100% | 54.6 MiB/s | 167.6 KiB | 00m00s [ 7/154] Installing fedora-repos-rawhi 100% | 0.0 B/s | 2.4 KiB | 00m00s [ 8/154] Installing fedora-repos-0:40- 100% | 0.0 B/s | 5.7 KiB | 00m00s [ 9/154] Installing fedora-release-com 100% | 0.0 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>>> Running pre-install scriptlet: glibc-0:2.38.9000-35.fc40.x86_64 >>> Stop pre-install scriptlet: glibc-0:2.38.9000-35.fc40.x86_64 [ 21/154] Installing glibc-0:2.38.9000- 100% | 269.8 MiB/s | 6.7 MiB | 00m00s >>> Running post-install scriptlet: glibc-0:2.38.9000-35.fc40.x86_64 >>> Stop post-install scriptlet: glibc-0:2.38.9000-35.fc40.x86_64 [ 22/154] Installing bash-0:5.2.26-1.fc 100% | 453.4 MiB/s | 8.2 MiB | 00m00s >>> Running post-install scriptlet: bash-0:5.2.26-1.fc40.x86_64 >>> Stop post-install scriptlet: bash-0:5.2.26-1.fc40.x86_64 [ 23/154] Installing glibc-common-0:2.3 100% | 255.2 MiB/s | 1.0 MiB | 00m00s [ 24/154] Installing glibc-gconv-extra- 100% | 280.8 MiB/s | 7.9 MiB | 00m00s >>> Running post-install scriptlet: glibc-gconv-extra-0:2.38.9000-35.fc40.x86_64 >>> Stop post-install scriptlet: glibc-gconv-extra-0:2.38.9000-35.fc40.x86_64 [ 25/154] Installing zlib-ng-compat-0:2 100% | 127.8 MiB/s | 130.8 KiB | 00m00s [ 26/154] Installing xz-libs-0:5.4.5-1. 100% | 205.9 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lz4-libs-0:1.9.4-4 100% | 0.0 B/s | 134.4 KiB | 00m00s [ 40/154] Installing libeconf-0:0.5.2-1 100% | 0.0 B/s | 57.6 KiB | 00m00s [ 41/154] Installing gdbm-libs-1:1.23-4 100% | 0.0 B/s | 127.4 KiB | 00m00s [ 42/154] Installing mpfr-0:4.2.1-1.fc4 100% | 401.2 MiB/s | 821.6 KiB | 00m00s [ 43/154] Installing gawk-0:5.3.0-1.fc4 100% | 344.8 MiB/s | 1.7 MiB | 00m00s [ 44/154] Installing dwz-0:0.15-3.fc39. 100% | 277.6 MiB/s | 284.2 KiB | 00m00s [ 45/154] Installing unzip-0:6.0-62.fc3 100% | 388.8 MiB/s | 398.2 KiB | 00m00s [ 46/154] Installing file-libs-0:5.45-1 100% | 764.2 MiB/s | 9.9 MiB | 00m00s [ 47/154] Installing file-0:5.45-1.fc40 100% | 0.0 B/s | 104.9 KiB | 00m00s [ 48/154] Installing libsmartcols-0:2.3 100% | 0.0 B/s | 145.4 KiB | 00m00s [ 49/154] Installing libcap-ng-0:0.8.4- 100% | 0.0 B/s | 75.0 KiB | 00m00s [ 50/154] Installing audit-libs-0:4.0-5 100% | 306.0 MiB/s | 313.4 KiB | 00m00s [ 51/154] Installing pam-libs-0:1.6.0-1 100% | 134.1 MiB/s | 137.3 KiB | 00m00s [ 52/154] Installing libcap-0:2.69-1.fc 100% | 223.9 MiB/s | 229.3 KiB | 00m00s [ 53/154] Installing systemd-libs-0:255 100% | 386.1 MiB/s | 1.9 MiB | 00m00s [ 54/154] Installing libcom_err-0:1.47. 100% | 0.0 B/s | 68.2 KiB | 00m00s [ 55/154] Installing libsepol-0:3.6-1.f 100% | 396.0 MiB/s | 811.0 KiB | 00m00s [ 56/154] Installing pcre2-0:10.42-2.fc 100% | 620.0 MiB/s | 634.8 KiB | 00m00s [ 57/154] Installing libselinux-0:3.6-2 100% | 170.2 MiB/s | 174.2 KiB | 00m00s [ 58/154] Installing sed-0:4.8-14.fc39. 100% | 262.3 MiB/s | 805.9 KiB | 00m00s [ 59/154] Installing grep-0:3.11-5.fc40 100% | 248.9 MiB/s | 1.0 MiB | 00m00s [ 60/154] Installing findutils-1:4.9.0- 100% | 294.8 MiB/s | 1.5 MiB | 00m00s [ 61/154] Installing xz-0:5.4.5-1.fc40. 100% | 333.6 MiB/s | 2.0 MiB | 00m00s [ 62/154] Installing libmount-0:2.39.3- 100% | 345.1 MiB/s | 353.3 KiB | 00m00s [ 63/154] Installing alternatives-0:1.2 100% | 0.0 B/s | 64.0 KiB | 00m00s [ 64/154] Installing jansson-0:2.13.1-7 100% | 0.0 B/s | 85.6 KiB | 00m00s [ 65/154] Installing lua-libs-0:5.4.6-3 100% | 283.4 MiB/s | 290.2 KiB | 00m00s [ 66/154] Installing libtasn1-0:4.19.0- 100% | 173.3 MiB/s | 177.4 KiB | 00m00s [ 67/154] Installing libunistring-0:1.1 100% | 435.6 MiB/s | 1.7 MiB | 00m00s [ 68/154] Installing libidn2-0:2.3.4-3. 100% | 160.6 MiB/s | 328.9 KiB | 00m00s [ 69/154] Installing libpsl-0:0.21.5-1. 100% | 79.7 MiB/s | 81.7 KiB | 00m00s [ 70/154] Installing util-linux-core-0: 100% | 274.9 MiB/s | 1.4 MiB | 00m00s [ 71/154] Installing tar-2:1.35-2.fc40. 100% | 424.3 MiB/s | 3.0 MiB | 00m00s [ 72/154] Installing libsemanage-0:3.6- 100% | 288.3 MiB/s | 295.2 KiB | 00m00s [ 73/154] Installing shadow-utils-2:4.1 100% | 168.6 MiB/s | 4.0 MiB | 00m00s >>> Running pre-install scriptlet: libutempter-0:1.2.1-10.fc39.x86_64 >>> Stop pre-install scriptlet: libutempter-0:1.2.1-10.fc39.x86_64 [ 74/154] Installing libutempter-0:1.2. 100% | 58.2 MiB/s | 59.5 KiB | 00m00s [ 75/154] Installing zip-0:3.0-39.fc40. 100% | 349.2 MiB/s | 715.1 KiB | 00m00s [ 76/154] Installing gdbm-1:1.23-4.fc39 100% | 233.1 MiB/s | 477.4 KiB | 00m00s [ 77/154] Installing cyrus-sasl-lib-0:2 100% | 380.5 MiB/s | 2.3 MiB | 00m00s [ 78/154] Installing zstd-0:1.5.5-4.fc3 100% | 407.7 MiB/s | 1.6 MiB | 00m00s [ 79/154] Installing libfdisk-0:2.39.3- 100% | 355.5 MiB/s | 364.0 KiB | 00m00s [ 80/154] Installing bzip2-0:1.0.8-16.f 100% | 93.7 MiB/s | 96.0 KiB | 00m00s [ 81/154] Installing libxml2-0:2.12.4-1 100% | 422.9 MiB/s | 1.7 MiB | 00m00s [ 82/154] Installing sqlite-libs-0:3.45 100% | 467.1 MiB/s | 1.4 MiB | 00m00s [ 83/154] Installing ed-0:1.20-1.fc40.x 100% | 145.2 MiB/s | 148.7 KiB | 00m00s [ 84/154] Installing patch-0:2.7.6-22.f 100% | 250.1 MiB/s | 256.1 KiB | 00m00s [ 85/154] Installing elfutils-default-y 100% | 510.7 KiB/s | 2.0 KiB | 00m00s >>> Running post-install scriptlet: elfutils-default-yama-scope-0:0.190-4.fc40.n >>> Stop post-install scriptlet: elfutils-default-yama-scope-0:0.190-4.fc40.noar [ 86/154] Installing cpio-0:2.15-1.fc40 100% | 274.9 MiB/s | 1.1 MiB | 00m00s [ 87/154] Installing diffutils-0:3.10-3 100% | 315.6 MiB/s | 1.6 MiB | 00m00s [ 88/154] Installing libpkgconf-0:1.9.5 100% | 0.0 B/s | 79.2 KiB | 00m00s [ 89/154] Installing pkgconf-0:1.9.5-2. 100% | 84.2 MiB/s | 86.3 KiB | 00m00s [ 90/154] Installing keyutils-libs-0:1. 100% | 0.0 B/s | 55.7 KiB | 00m00s [ 91/154] Installing libverto-0:0.3.2-6 100% | 0.0 B/s | 31.2 KiB | 00m00s [ 92/154] Installing libgomp-0:14.0.1-0 100% | 505.1 MiB/s | 517.2 KiB | 00m00s [ 93/154] Installing libffi-0:3.4.4-5.f 100% | 80.9 MiB/s | 82.9 KiB | 00m00s [ 94/154] Installing p11-kit-0:0.25.3-1 100% | 301.2 MiB/s | 2.4 MiB | 00m00s [ 95/154] Installing p11-kit-trust-0:0. 100% | 75.0 MiB/s | 461.1 KiB | 00m00s >>> Running post-install scriptlet: p11-kit-trust-0:0.25.3-1.fc40.x86_64 >>> Stop post-install scriptlet: p11-kit-trust-0:0.25.3-1.fc40.x86_64 [ 96/154] Installing openssl-libs-1:3.1 100% | 432.9 MiB/s | 7.8 MiB | 00m00s [ 97/154] Installing coreutils-0:9.4-3. 100% | 322.8 MiB/s | 5.8 MiB | 00m00s >>> Running pre-install scriptlet: ca-certificates-0:2023.2.62_v7.0.401-4.fc40.n >>> Stop pre-install scriptlet: ca-certificates-0:2023.2.62_v7.0.401-4.fc40.noar [ 98/154] Installing ca-certificates-0: 100% | 4.4 MiB/s | 2.3 MiB | 00m01s >>> Running post-install scriptlet: ca-certificates-0:2023.2.62_v7.0.401-4.fc40. >>> Stop post-install scriptlet: ca-certificates-0:2023.2.62_v7.0.401-4.fc40.noa [ 99/154] Installing krb5-libs-0:1.21.2 100% | 327.8 MiB/s | 2.3 MiB | 00m00s [100/154] Installing libtirpc-0:1.3.4-1 100% | 199.7 MiB/s | 204.5 KiB | 00m00s [101/154] Installing gzip-0:1.12-6.fc39 100% | 184.3 MiB/s | 377.5 KiB | 00m00s >>> Running pre-install scriptlet: authselect-libs-0:1.5.0-1.fc40.x86_64 >>> Stop pre-install scriptlet: authselect-libs-0:1.5.0-1.fc40.x86_64 [102/154] Installing authselect-libs-0: 100% | 195.9 MiB/s | 1.0 MiB | 00m00s [103/154] Installing authselect-0:1.5.0 100% | 157.1 MiB/s | 160.9 KiB | 00m00s [104/154] Installing cracklib-0:2.9.11- 100% | 84.0 MiB/s | 257.9 KiB | 00m00s [105/154] Installing libpwquality-0:1.4 100% | 139.9 MiB/s | 429.8 KiB | 00m00s [106/154] Installing libnsl2-0:2.0.0-6. 100% | 57.6 MiB/s | 59.0 KiB | 00m00s [107/154] Installing pam-0:1.6.0-1.fc40 100% | 181.1 MiB/s | 1.8 MiB | 00m00s [108/154] Installing libssh-0:0.10.6-2. 100% | 253.6 MiB/s | 519.3 KiB | 00m00s [109/154] Installing libarchive-0:3.7.2 100% | 451.4 MiB/s | 924.5 KiB | 00m00s [110/154] Installing rpm-sequoia-0:1.5. 100% | 461.1 MiB/s | 2.3 MiB | 00m00s [111/154] Installing rpm-libs-0:4.19.1- 100% | 366.8 MiB/s | 751.3 KiB | 00m00s [112/154] Installing libevent-0:2.1.12- 100% | 440.9 MiB/s | 903.0 KiB | 00m00s [113/154] Installing openldap-0:2.6.6-1 100% | 315.1 MiB/s | 645.3 KiB | 00m00s [114/154] Installing xxhash-libs-0:0.8. 100% | 0.0 B/s | 89.8 KiB | 00m00s [115/154] Installing libbrotli-0:1.1.0- 100% | 404.1 MiB/s | 827.6 KiB | 00m00s [116/154] Installing libnghttp2-0:1.59. 100% | 163.3 MiB/s | 167.2 KiB | 00m00s [117/154] Installing libcurl-0:8.5.0-2. 100% | 375.8 MiB/s | 769.7 KiB | 00m00s [118/154] Installing elfutils-debuginfo 100% | 61.2 MiB/s | 62.7 KiB | 00m00s [119/154] Installing elfutils-libs-0:0. 100% | 337.7 MiB/s | 691.6 KiB | 00m00s [120/154] Installing binutils-gold-0:2. 100% | 184.6 MiB/s | 2.0 MiB | 00m00s >>> Running post-install scriptlet: binutils-gold-0:2.41-30.fc40.x86_64 >>> Stop post-install scriptlet: binutils-gold-0:2.41-30.fc40.x86_64 [121/154] Installing binutils-0:2.41-30 100% | 419.1 MiB/s | 26.4 MiB | 00m00s >>> Running post-install scriptlet: binutils-0:2.41-30.fc40.x86_64 >>> Stop post-install scriptlet: binutils-0:2.41-30.fc40.x86_64 [122/154] Installing elfutils-0:0.190-4 100% | 401.8 MiB/s | 2.8 MiB | 00m00s [123/154] Installing gdb-minimal-0:14.1 100% | 454.5 MiB/s | 12.3 MiB | 00m00s [124/154] Installing debugedit-0:5.0-12 100% | 196.8 MiB/s | 201.5 KiB | 00m00s [125/154] Installing rpm-build-libs-0:4 100% | 198.4 MiB/s | 203.2 KiB | 00m00s [126/154] Installing curl-0:8.5.0-2.fc4 100% | 86.4 MiB/s | 796.7 KiB | 00m00s >>> Running pre-install scriptlet: rpm-0:4.19.1-2.fc40.x86_64 >>> Stop pre-install scriptlet: rpm-0:4.19.1-2.fc40.x86_64 [127/154] Installing rpm-0:4.19.1-2.fc4 100% | 199.7 MiB/s | 2.4 MiB | 00m00s [128/154] Installing efi-srpm-macros-0: 100% | 0.0 B/s | 41.2 KiB | 00m00s [129/154] Installing lua-srpm-macros-0: 100% | 0.0 B/s | 1.9 KiB | 00m00s [130/154] Installing zig-srpm-macros-0: 100% | 0.0 B/s | 1.7 KiB | 00m00s [131/154] Installing pkgconf-m4-0:1.9.5 100% | 0.0 B/s | 14.3 KiB | 00m00s [132/154] Installing pkgconf-pkg-config 100% | 0.0 B/s | 1.8 KiB | 00m00s [133/154] Installing rust-srpm-macros-0 100% | 0.0 B/s | 5.8 KiB | 00m00s [134/154] Installing qt6-srpm-macros-0: 100% | 0.0 B/s | 732.0 B | 00m00s [135/154] Installing qt5-srpm-macros-0: 100% | 0.0 B/s | 768.0 B | 00m00s [136/154] Installing perl-srpm-macros-0 100% | 0.0 B/s | 1.1 KiB | 00m00s [137/154] Installing package-notes-srpm 100% | 0.0 B/s | 2.0 KiB | 00m00s [138/154] Installing openblas-srpm-macr 100% | 0.0 B/s | 384.0 B | 00m00s [139/154] Installing ocaml-srpm-macros- 100% | 0.0 B/s | 2.2 KiB | 00m00s [140/154] Installing kernel-srpm-macros 100% | 0.0 B/s | 2.3 KiB | 00m00s [141/154] Installing gnat-srpm-macros-0 100% | 0.0 B/s | 1.3 KiB | 00m00s [142/154] Installing ghc-srpm-macros-0: 100% | 0.0 B/s | 648.0 B | 00m00s [143/154] Installing fpc-srpm-macros-0: 100% | 0.0 B/s | 420.0 B | 00m00s [144/154] Installing ansible-srpm-macro 100% | 0.0 B/s | 36.2 KiB | 00m00s [145/154] Installing fonts-srpm-macros- 100% | 0.0 B/s | 56.5 KiB | 00m00s [146/154] Installing forge-srpm-macros- 100% | 0.0 B/s | 38.6 KiB | 00m00s [147/154] Installing go-srpm-macros-0:3 100% | 0.0 B/s | 61.6 KiB | 00m00s [148/154] Installing python-srpm-macros 100% | 0.0 B/s | 51.3 KiB | 00m00s [149/154] Installing redhat-rpm-config- 100% | 185.2 MiB/s | 189.6 KiB | 00m00s [150/154] Installing rpm-build-0:4.19.1 100% | 185.0 MiB/s | 189.4 KiB | 00m00s [151/154] Installing pyproject-srpm-mac 100% | 2.0 MiB/s | 2.1 KiB | 00m00s [152/154] Installing util-linux-0:2.39. 100% | 253.9 MiB/s | 3.6 MiB | 00m00s [153/154] Installing which-0:2.21-40.fc 100% | 80.4 MiB/s | 82.3 KiB | 00m00s [154/154] Installing info-0:7.1-1.fc40. 100% | 523.1 KiB/s | 374.0 KiB | 00m01s >>> Running post-transaction scriptlet: filesystem-0:3.18-6.fc39.x86_64 >>> Stop post-transaction scriptlet: filesystem-0:3.18-6.fc39.x86_64 >>> Running post-transaction scriptlet: ca-certificates-0:2023.2.62_v7.0.401-4.f >>> Stop post-transaction scriptlet: ca-certificates-0:2023.2.62_v7.0.401-4.fc40 >>> Running post-transaction scriptlet: authselect-libs-0:1.5.0-1.fc40.x86_64 >>> Stop post-transaction scriptlet: authselect-libs-0:1.5.0-1.fc40.x86_64 >>> Running post-transaction scriptlet: rpm-0:4.19.1-2.fc40.x86_64 >>> Stop post-transaction scriptlet: rpm-0:4.19.1-2.fc40.x86_64 >>> Running trigger-install scriptlet: glibc-common-0:2.38.9000-35.fc40.x86_64 >>> Stop trigger-install scriptlet: glibc-common-0:2.38.9000-35.fc40.x86_64 >>> Running trigger-install scriptlet: info-0:7.1-1.fc40.x86_64 >>> Stop trigger-install scriptlet: info-0:7.1-1.fc40.x86_64 Warning: skipped PGP checks for 152 package(s). Finish: installing minimal buildroot with dnf5 Start: creating root cache Finish: creating root cache Finish: chroot init INFO: Installed packages: INFO: alternatives-1.26-1.fc40.x86_64 ansible-srpm-macros-1-12.fc40.noarch audit-libs-4.0-5.fc40.x86_64 authselect-1.5.0-1.fc40.x86_64 authselect-libs-1.5.0-1.fc40.x86_64 basesystem-11-18.fc39.noarch bash-5.2.26-1.fc40.x86_64 binutils-2.41-30.fc40.x86_64 binutils-gold-2.41-30.fc40.x86_64 bzip2-1.0.8-16.fc39.x86_64 bzip2-libs-1.0.8-16.fc39.x86_64 ca-certificates-2023.2.62_v7.0.401-4.fc40.noarch coreutils-9.4-3.fc40.x86_64 coreutils-common-9.4-3.fc40.x86_64 cpio-2.15-1.fc40.x86_64 cracklib-2.9.11-2.fc39.x86_64 crypto-policies-20231204-1.git1e3a2e4.fc40.noarch curl-8.5.0-2.fc40.x86_64 cyrus-sasl-lib-2.1.28-17.fc40.x86_64 debugedit-5.0-12.fc40.x86_64 diffutils-3.10-3.fc39.x86_64 dwz-0.15-3.fc39.x86_64 ed-1.20-1.fc40.x86_64 efi-srpm-macros-5-9.fc39.noarch elfutils-0.190-4.fc40.x86_64 elfutils-debuginfod-client-0.190-4.fc40.x86_64 elfutils-default-yama-scope-0.190-4.fc40.noarch elfutils-libelf-0.190-4.fc40.x86_64 elfutils-libs-0.190-4.fc40.x86_64 fedora-gpg-keys-40-0.2.noarch fedora-release-40-0.29.noarch fedora-release-common-40-0.29.noarch fedora-release-identity-basic-40-0.29.noarch fedora-repos-40-0.2.noarch fedora-repos-rawhide-40-0.2.noarch file-5.45-1.fc40.x86_64 file-libs-5.45-1.fc40.x86_64 filesystem-3.18-6.fc39.x86_64 findutils-4.9.0-6.fc40.x86_64 fonts-srpm-macros-2.0.5-12.fc39.noarch forge-srpm-macros-0.2.0-1.fc40.noarch fpc-srpm-macros-1.3-8.fc39.noarch gawk-5.3.0-1.fc40.x86_64 gdb-minimal-14.1-4.fc40.x86_64 gdbm-1.23-4.fc39.x86_64 gdbm-libs-1.23-4.fc39.x86_64 ghc-srpm-macros-1.6.1-3.fc40.noarch glibc-2.38.9000-35.fc40.x86_64 glibc-common-2.38.9000-35.fc40.x86_64 glibc-gconv-extra-2.38.9000-35.fc40.x86_64 glibc-minimal-langpack-2.38.9000-35.fc40.x86_64 gmp-6.2.1-5.fc39.x86_64 gnat-srpm-macros-6-3.fc39.noarch go-srpm-macros-3.3.1-1.fc40.noarch grep-3.11-5.fc40.x86_64 gzip-1.12-6.fc39.x86_64 info-7.1-1.fc40.x86_64 jansson-2.13.1-7.fc39.x86_64 kernel-srpm-macros-1.0-20.fc39.noarch keyutils-libs-1.6.3-1.fc40.x86_64 krb5-libs-1.21.2-3.fc40.x86_64 libacl-2.3.2-1.fc40.x86_64 libarchive-3.7.2-1.fc40.x86_64 libattr-2.5.2-1.fc40.x86_64 libblkid-2.39.3-4.fc40.x86_64 libbrotli-1.1.0-1.fc40.x86_64 libcap-2.69-1.fc40.x86_64 libcap-ng-0.8.4-2.fc40.x86_64 libcom_err-1.47.0-2.fc39.x86_64 libcurl-8.5.0-2.fc40.x86_64 libeconf-0.5.2-1.fc40.x86_64 libevent-2.1.12-9.fc39.x86_64 libfdisk-2.39.3-4.fc40.x86_64 libffi-3.4.4-5.fc40.x86_64 libgcc-14.0.1-0.2.fc40.x86_64 libgomp-14.0.1-0.2.fc40.x86_64 libidn2-2.3.4-3.fc39.x86_64 libmount-2.39.3-4.fc40.x86_64 libnghttp2-1.59.0-1.fc40.x86_64 libnsl2-2.0.0-6.fc39.x86_64 libpkgconf-1.9.5-2.fc39.x86_64 libpsl-0.21.5-1.fc40.x86_64 libpwquality-1.4.5-6.fc39.x86_64 libselinux-3.6-2.fc40.x86_64 libsemanage-3.6-1.fc40.x86_64 libsepol-3.6-1.fc40.x86_64 libsmartcols-2.39.3-4.fc40.x86_64 libssh-0.10.6-2.fc40.x86_64 libssh-config-0.10.6-2.fc40.noarch libstdc++-14.0.1-0.2.fc40.x86_64 libtasn1-4.19.0-3.fc39.x86_64 libtirpc-1.3.4-1.rc1.fc40.x86_64 libunistring-1.1-5.fc40.x86_64 libutempter-1.2.1-10.fc39.x86_64 libuuid-2.39.3-4.fc40.x86_64 libverto-0.3.2-6.fc39.x86_64 libxcrypt-4.4.36-4.fc40.x86_64 libxml2-2.12.4-1.fc40.x86_64 libzstd-1.5.5-4.fc39.x86_64 lua-libs-5.4.6-3.fc39.x86_64 lua-srpm-macros-1-9.fc39.noarch lz4-libs-1.9.4-4.fc39.x86_64 mpfr-4.2.1-1.fc40.x86_64 ncurses-base-6.4-9.20240113.fc40.noarch ncurses-libs-6.4-9.20240113.fc40.x86_64 ocaml-srpm-macros-9-1.fc40.noarch openblas-srpm-macros-2-14.fc39.noarch openldap-2.6.6-1.fc39.x86_64 openssl-libs-3.1.4-1.fc40.x86_64 p11-kit-0.25.3-1.fc40.x86_64 p11-kit-trust-0.25.3-1.fc40.x86_64 package-notes-srpm-macros-0.5-9.fc39.noarch pam-1.6.0-1.fc40.x86_64 pam-libs-1.6.0-1.fc40.x86_64 patch-2.7.6-22.fc39.x86_64 pcre2-10.42-2.fc40.x86_64 pcre2-syntax-10.42-2.fc40.noarch perl-srpm-macros-1-51.fc39.noarch pkgconf-1.9.5-2.fc39.x86_64 pkgconf-m4-1.9.5-2.fc39.noarch pkgconf-pkg-config-1.9.5-2.fc39.x86_64 popt-1.19-3.fc39.x86_64 publicsuffix-list-dafsa-20240107-1.fc40.noarch pyproject-srpm-macros-1.11.0-1.fc40.noarch python-srpm-macros-3.12-7.fc40.noarch qt5-srpm-macros-5.15.12-1.fc40.noarch qt6-srpm-macros-6.6.1-3.fc40.noarch readline-8.2-7.fc40.x86_64 redhat-rpm-config-280-1.fc40.noarch rpm-4.19.1-2.fc40.x86_64 rpm-build-4.19.1-2.fc40.x86_64 rpm-build-libs-4.19.1-2.fc40.x86_64 rpm-libs-4.19.1-2.fc40.x86_64 rpm-sequoia-1.5.0-2.fc40.x86_64 rust-srpm-macros-25.2-2.fc40.noarch sed-4.8-14.fc39.x86_64 setup-2.14.5-1.fc40.noarch shadow-utils-4.14.0-2.fc40.x86_64 sqlite-libs-3.45.0-1.fc40.x86_64 systemd-libs-255.3-1.fc40.x86_64 tar-1.35-2.fc40.x86_64 unzip-6.0-62.fc39.x86_64 util-linux-2.39.3-4.fc40.x86_64 util-linux-core-2.39.3-4.fc40.x86_64 which-2.21-40.fc39.x86_64 xxhash-libs-0.8.2-1.fc39.x86_64 xz-5.4.5-1.fc40.x86_64 xz-libs-5.4.5-1.fc40.x86_64 zig-srpm-macros-1-1.fc40.noarch zip-3.0-39.fc40.x86_64 zlib-ng-compat-2.1.6-1.fc40.x86_64 zstd-1.5.5-4.fc39.x86_64 Start: buildsrpm Start: rpmbuild -bs Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1706227200 Wrote: /builddir/build/SRPMS/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.src.rpm Finish: rpmbuild -bs INFO: chroot_scan: 1 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-rawhide-x86_64-1706235937.436555/root/var/log/dnf5.log Finish: buildsrpm INFO: Done(/var/lib/copr-rpmbuild/workspace/workdir-trys8vx6/python-cclib/python-cclib.spec) Config(child) 0 minutes 53 seconds INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results INFO: Cleaning up build root ('cleanup_on_success=True') Start: clean chroot INFO: unmounting tmpfs. Finish: clean chroot INFO: Start(/var/lib/copr-rpmbuild/results/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.src.rpm) Config(fedora-rawhide-x86_64) Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-x86_64-bootstrap-1706235937.436555/root. INFO: reusing tmpfs at /var/lib/mock/fedora-rawhide-x86_64-bootstrap-1706235937.436555/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start(bootstrap): cleaning package manager metadata Finish(bootstrap): cleaning package manager metadata Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-x86_64-1706235937.436555/root. INFO: calling preinit hooks INFO: enabled root cache Start: unpacking root cache Finish: unpacking root cache INFO: enabled package manager cache Start: cleaning package manager metadata Finish: cleaning package manager metadata INFO: enabled HW Info plugin INFO: Buildroot is handled by package management downloaded with a bootstrap image: rpm-4.19.1-2.fc40.x86_64 rpm-sequoia-1.5.0-2.fc40.x86_64 python3-dnf-4.18.2-1.fc40.noarch yum-4.18.2-1.fc40.noarch dnf5-5.1.11-1.fc40.x86_64 dnf5-plugins-5.1.11-1.fc40.x86_64 Finish: chroot init Start: build phase for python-cclib-1.7.1-7.20220618git8e6892a5.fc40.src.rpm Start: build setup for python-cclib-1.7.1-7.20220618git8e6892a5.fc40.src.rpm Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1706227200 Wrote: /builddir/build/SRPMS/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.src.rpm Updating and loading repositories: Additional repo http_kojipkgs_fedorapr 100% | 196.4 KiB/s | 4.1 KiB | 00m00s Copr repository 100% | 134.6 KiB/s | 2.2 KiB | 00m00s fedora 100% | 60.3 KiB/s | 7.8 KiB | 00m00s Repositories loaded. Package Arch Version Repository Size Installing: python3-biopython x86_64 1.83-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 29.1 MiB python3-devel x86_64 3.12.1-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.2 MiB python3-numpy x86_64 1:1.26.2-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 43.9 MiB python3-packaging noarch 23.2-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 421.1 KiB python3-periodictable noarch 1.6.1-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.5 MiB python3-scipy x86_64 1.11.3-3.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 62.1 MiB python3-setuptools noarch 68.2.2-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 7.1 MiB python3-six noarch 1.16.0-12.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 117.7 KiB Installing dependencies: expat x86_64 2.5.0-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 274.5 KiB flex x86_64 2.6.4-14.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 905.3 KiB flexiblas x86_64 3.4.1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 46.7 KiB flexiblas-netlib x86_64 3.4.1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 10.3 MiB flexiblas-openblas-openmp x86_64 3.4.1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 39.3 KiB glib2 x86_64 2.79.0-6.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 14.4 MiB gnutls x86_64 3.8.3-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.2 MiB libb2 x86_64 0.98.1-9.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 42.1 KiB libgfortran x86_64 14.0.1-0.2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.9 MiB libquadmath x86_64 14.0.1-0.2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 329.9 KiB m4 x86_64 1.4.19-7.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 584.8 KiB mpdecimal x86_64 2.5.1-7.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 200.8 KiB nettle x86_64 3.9.1-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 793.9 KiB openblas x86_64 0.3.26-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 96.0 KiB openblas-openmp x86_64 0.3.26-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 38.3 MiB pyproject-rpm-macros noarch 1.11.0-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 98.5 KiB python-pip-wheel noarch 23.3.1-5.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.5 MiB python-rpm-macros noarch 3.12-7.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 22.1 KiB python3 x86_64 3.12.1-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 31.8 KiB python3-appdirs noarch 1.4.4-11.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 68.9 KiB python3-charset-normalizer noarch 3.3.2-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 312.7 KiB python3-idna noarch 3.6-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 502.3 KiB python3-libs x86_64 3.12.1-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 41.7 MiB python3-numpy-f2py x86_64 1:1.26.2-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.6 MiB python3-pooch noarch 1.5.2-12.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 547.8 KiB python3-pyparsing noarch 3.1.1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 MiB python3-requests noarch 2.31.0-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 462.4 KiB python3-rpm-generators noarch 14-8.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 82.3 KiB python3-rpm-macros noarch 3.12-7.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 6.4 KiB python3-urllib3 noarch 1.26.18-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 996.2 KiB tzdata noarch 2023d-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.6 MiB wise2 x86_64 2.4.1-23.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 10.2 MiB Transaction Summary: Installing: 40 packages Total size of inbound packages is 63 MiB. Need to download 63 MiB. After this operation 281 MiB will be used (install 281 MiB, remove 0 B). [ 1/40] python3-devel-0:3.12.1-2.fc40.x 100% | 6.7 MiB/s | 273.9 KiB | 00m00s [ 2/40] python3-packaging-0:23.2-2.fc40 100% | 12.5 MiB/s | 115.5 KiB | 00m00s [ 3/40] python3-biopython-0:1.83-1.fc40 100% | 120.4 MiB/s | 9.0 MiB | 00m00s [ 4/40] python3-periodictable-0:1.6.1-6 100% | 9.8 MiB/s | 574.4 KiB | 00m00s [ 5/40] python3-setuptools-0:68.2.2-1.f 100% | 42.6 MiB/s | 1.4 MiB | 00m00s [ 6/40] python3-scipy-0:1.11.3-3.fc40.x 100% | 193.6 MiB/s | 15.7 MiB | 00m00s [ 7/40] python3-numpy-1:1.26.2-2.fc40.x 100% | 44.1 MiB/s | 7.2 MiB | 00m00s [ 8/40] python3-six-0:1.16.0-12.fc39.no 100% | 2.0 MiB/s | 40.9 KiB | 00m00s [ 9/40] python3-0:3.12.1-2.fc40.x86_64 100% | 3.2 MiB/s | 26.5 KiB | 00m00s [10/40] python3-numpy-f2py-1:1.26.2-2.f 100% | 57.3 MiB/s | 469.0 KiB | 00m00s [11/40] libgfortran-0:14.0.1-0.2.fc40.x 100% | 74.8 MiB/s | 919.0 KiB | 00m00s [12/40] python3-pooch-0:1.5.2-12.fc39.n 100% | 27.6 MiB/s | 113.0 KiB | 00m00s [13/40] python3-appdirs-0:1.4.4-11.fc39 100% | 3.2 MiB/s | 22.9 KiB | 00m00s [14/40] python3-requests-0:2.31.0-1.fc4 100% | 12.5 MiB/s | 140.9 KiB | 00m00s [15/40] python3-pyparsing-0:3.1.1-1.fc4 100% | 31.9 MiB/s | 261.0 KiB | 00m00s [16/40] flexiblas-netlib-0:3.4.1-1.fc40 100% | 87.7 MiB/s | 3.2 MiB | 00m00s [17/40] flex-0:2.6.4-14.fc40.x86_64 100% | 25.0 MiB/s | 306.6 KiB | 00m00s [18/40] flexiblas-0:3.4.1-1.fc40.x86_64 100% | 3.5 MiB/s | 24.9 KiB | 00m00s [19/40] flexiblas-openblas-openmp-0:3.4 100% | 2.4 MiB/s | 17.4 KiB | 00m00s [20/40] wise2-0:2.4.1-23.fc40.x86_64 100% | 67.3 MiB/s | 1.4 MiB | 00m00s [21/40] libquadmath-0:14.0.1-0.2.fc40.x 100% | 13.7 MiB/s | 181.8 KiB | 00m00s [22/40] m4-0:1.4.19-7.fc40.x86_64 100% | 24.1 MiB/s | 295.6 KiB | 00m00s [23/40] python3-libs-0:3.12.1-2.fc40.x8 100% | 156.0 MiB/s | 8.9 MiB | 00m00s [24/40] python3-charset-normalizer-0:3. 100% | 6.4 MiB/s | 99.1 KiB | 00m00s [25/40] glib2-0:2.79.0-6.fc40.x86_64 100% | 96.7 MiB/s | 3.0 MiB | 00m00s [26/40] python3-idna-0:3.6-1.fc40.noarc 100% | 6.1 MiB/s | 100.7 KiB | 00m00s [27/40] python3-urllib3-0:1.26.18-1.fc4 100% | 14.6 MiB/s | 253.7 KiB | 00m00s [28/40] libb2-0:0.98.1-9.fc39.x86_64 100% | 6.2 MiB/s | 25.4 KiB | 00m00s [29/40] mpdecimal-0:2.5.1-7.fc39.x86_64 100% | 21.6 MiB/s | 88.6 KiB | 00m00s [30/40] expat-0:2.5.0-3.fc39.x86_64 100% | 12.0 MiB/s | 110.3 KiB | 00m00s [31/40] tzdata-0:2023d-2.fc40.noarch 100% | 60.5 MiB/s | 433.6 KiB | 00m00s [32/40] python-pip-wheel-0:23.3.1-5.fc4 100% | 86.5 MiB/s | 1.5 MiB | 00m00s [33/40] gnutls-0:3.8.3-2.fc40.x86_64 100% | 78.0 MiB/s | 1.1 MiB | 00m00s [34/40] openblas-0:0.3.26-1.fc40.x86_64 100% | 7.5 MiB/s | 38.4 KiB | 00m00s [35/40] nettle-0:3.9.1-2.fc39.x86_64 100% | 51.8 MiB/s | 424.6 KiB | 00m00s [36/40] python-rpm-macros-0:3.12-7.fc40 100% | 1.6 MiB/s | 18.0 KiB | 00m00s [37/40] python3-rpm-macros-0:3.12-7.fc4 100% | 1.4 MiB/s | 12.8 KiB | 00m00s [38/40] pyproject-rpm-macros-0:1.11.0-1 100% | 10.3 MiB/s | 42.4 KiB | 00m00s [39/40] python3-rpm-generators-0:14-8.f 100% | 5.9 MiB/s | 30.0 KiB | 00m00s [40/40] openblas-openmp-0:0.3.26-1.fc40 100% | 125.6 MiB/s | 5.0 MiB | 00m00s -------------------------------------------------------------------------------- [40/40] Total 100% | 194.1 MiB/s | 62.7 MiB | 00m00s Running transaction [ 1/42] Verify package files 100% | 235.0 B/s | 40.0 B | 00m00s [ 2/42] Prepare transaction 100% | 833.0 B/s | 40.0 B | 00m00s [ 3/42] Installing python-rpm-macros-0: 100% | 0.0 B/s | 22.8 KiB | 00m00s [ 4/42] Installing libgfortran-0:14.0.1 100% | 490.4 MiB/s | 2.9 MiB | 00m00s [ 5/42] Installing python3-rpm-macros-0 100% | 0.0 B/s | 6.7 KiB | 00m00s [ 6/42] Installing pyproject-rpm-macros 100% | 0.0 B/s | 100.5 KiB | 00m00s [ 7/42] Installing nettle-0:3.9.1-2.fc3 100% | 389.2 MiB/s | 797.0 KiB | 00m00s [ 8/42] Installing gnutls-0:3.8.3-2.fc4 100% | 396.0 MiB/s | 3.2 MiB | 00m00s [ 9/42] Installing glib2-0:2.79.0-6.fc4 100% | 424.4 MiB/s | 14.4 MiB | 00m00s [10/42] Installing wise2-0:2.4.1-23.fc4 100% | 603.5 MiB/s | 10.3 MiB | 00m00s [11/42] 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00m00s [24/42] Installing python3-devel-0:3.12 100% | 212.5 MiB/s | 1.3 MiB | 00m00s [25/42] Installing python3-appdirs-0:1. 100% | 0.0 B/s | 71.1 KiB | 00m00s [26/42] Installing python3-pyparsing-0: 100% | 333.0 MiB/s | 1.0 MiB | 00m00s [27/42] Installing python3-charset-norm 100% | 157.5 MiB/s | 322.7 KiB | 00m00s [28/42] Installing python3-requests-0:2 100% | 231.7 MiB/s | 474.5 KiB | 00m00s [29/42] Installing python3-pooch-0:1.5. 100% | 274.9 MiB/s | 562.9 KiB | 00m00s [30/42] Installing m4-0:1.4.19-7.fc40.x 100% | 192.4 MiB/s | 591.1 KiB | 00m00s [31/42] Installing flex-0:2.6.4-14.fc40 100% | 296.7 MiB/s | 911.4 KiB | 00m00s [32/42] Installing libquadmath-0:14.0.1 100% | 323.3 MiB/s | 331.1 KiB | 00m00s [33/42] Installing flexiblas-0:3.4.1-1. 100% | 0.0 B/s | 47.9 KiB | 00m00s [34/42] Installing flexiblas-openblas-o 100% | 0.0 B/s | 40.2 KiB | 00m00s [35/42] Installing flexiblas-netlib-0:3 100% | 431.1 MiB/s | 10.3 MiB | 00m00s [36/42] Installing python3-numpy-1:1.26 100% | 470.3 MiB/s | 44.2 MiB | 00m00s [37/42] Installing python3-numpy-f2py-1 100% | 221.4 MiB/s | 2.7 MiB | 00m00s [38/42] Installing python3-scipy-0:1.11 100% | 433.9 MiB/s | 62.5 MiB | 00m00s [39/42] Installing python3-biopython-0: 100% | 402.7 MiB/s | 29.4 MiB | 00m00s [40/42] Installing python3-periodictabl 100% | 316.9 MiB/s | 2.5 MiB | 00m00s [41/42] Installing python3-setuptools-0 100% | 315.1 MiB/s | 7.2 MiB | 00m00s [42/42] Installing python3-six-0:1.16.0 100% | 2.0 MiB/s | 120.0 KiB | 00m00s >>> Running trigger-install scriptlet: glibc-common-0:2.38.9000-35.fc40.x86_64 >>> Stop trigger-install scriptlet: glibc-common-0:2.38.9000-35.fc40.x86_64 >>> Running trigger-install scriptlet: info-0:7.1-1.fc40.x86_64 >>> Stop trigger-install scriptlet: info-0:7.1-1.fc40.x86_64 >>> Running trigger-install scriptlet: glib2-0:2.79.0-6.fc40.x86_64 >>> Stop trigger-install scriptlet: glib2-0:2.79.0-6.fc40.x86_64 Warning: skipped PGP checks for 40 package(s). Finish: build setup for python-cclib-1.7.1-7.20220618git8e6892a5.fc40.src.rpm Start: rpmbuild python-cclib-1.7.1-7.20220618git8e6892a5.fc40.src.rpm Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1706227200 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.eTJHQi + 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 + rm -rf /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b-SPECPARTS + /usr/bin/mkdir -p /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b-SPECPARTS + /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.5NTbpt + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-Wl,-z,relro -Clink-arg=-Wl,-z,now -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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.PXL3xr + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64 '!=' / ']' + rm -rf /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64 ++ dirname /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64 + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64 + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-Wl,-z,relro -Clink-arg=-Wl,-z,now -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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-1.7.1-7.20220618git8e6892a5.fc40.x86_64 --prefix /usr running install /usr/lib/python3.12/site-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. !! ******************************************************************************** Please avoid running ``setup.py`` directly. Instead, use pypa/build, pypa/installer or other standards-based tools. Follow the current Python packaging guidelines when building Python RPM packages. See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html and https://docs.fedoraproject.org/en-US/packaging-guidelines/Python/ for details. ******************************************************************************** !! self.initialize_options() running install_lib creating /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr creating /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib creating /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12 creating /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages creating /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib creating /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge copying build/lib/cclib/bridge/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2ase.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2biopython.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2horton.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2openbabel.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2psi4.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2pyquante.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge copying build/lib/cclib/bridge/cclib2pyscf.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge creating /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io copying build/lib/cclib/io/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io copying build/lib/cclib/io/ccio.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io copying build/lib/cclib/io/cjsonreader.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io copying build/lib/cclib/io/cjsonwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io copying build/lib/cclib/io/cmlwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io copying build/lib/cclib/io/filereader.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io copying build/lib/cclib/io/filewriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io copying build/lib/cclib/io/moldenwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io copying build/lib/cclib/io/wfxwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io copying build/lib/cclib/io/xyzreader.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io copying build/lib/cclib/io/xyzwriter.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io creating /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/bader.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/bickelhaupt.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/calculationmethod.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/cda.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/cspa.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/ddec.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/density.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/electrons.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/fragments.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/hirshfeld.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/lpa.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/mbo.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/moments.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/mpa.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/nuclear.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/opa.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/orbitals.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/population.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/stockholder.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method copying build/lib/cclib/method/volume.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method creating /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/adfparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/daltonparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/data.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/fchkparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/gamessparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/gamessukparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/gaussianparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/jaguarparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/logfileparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/molcasparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/molproparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/mopacparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/nwchemparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/orcaparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/psi3parser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/psi4parser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/qchemparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/turbomoleparser.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser copying build/lib/cclib/parser/utils.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser creating /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/progress copying build/lib/cclib/progress/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/progress copying build/lib/cclib/progress/qt4progress.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/progress copying build/lib/cclib/progress/textprogress.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/progress creating /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts copying build/lib/cclib/scripts/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts copying build/lib/cclib/scripts/ccframe.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts copying build/lib/cclib/scripts/ccget.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts copying build/lib/cclib/scripts/ccwrite.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts copying build/lib/cclib/scripts/cda.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts copying build/lib/cclib/__init__.py -> /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge/__init__.py to __init__.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge/cclib2ase.py to cclib2ase.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge/cclib2biopython.py to cclib2biopython.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge/cclib2horton.py to cclib2horton.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge/cclib2openbabel.py to cclib2openbabel.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge/cclib2psi4.py to cclib2psi4.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge/cclib2pyquante.py to cclib2pyquante.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/bridge/cclib2pyscf.py to cclib2pyscf.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io/__init__.py to __init__.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io/ccio.py to ccio.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io/cjsonreader.py to cjsonreader.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io/cjsonwriter.py to cjsonwriter.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io/cmlwriter.py to cmlwriter.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io/filereader.py to filereader.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io/filewriter.py to filewriter.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io/moldenwriter.py to moldenwriter.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io/wfxwriter.py to wfxwriter.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io/xyzreader.py to xyzreader.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/io/xyzwriter.py to xyzwriter.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/__init__.py to __init__.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/bader.py to bader.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/bickelhaupt.py to bickelhaupt.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/calculationmethod.py to calculationmethod.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/cda.py to cda.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/cspa.py to cspa.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/ddec.py to ddec.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/density.py to density.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/electrons.py to electrons.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/fragments.py to fragments.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/hirshfeld.py to hirshfeld.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/lpa.py to lpa.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/mbo.py to mbo.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/moments.py to moments.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/mpa.py to mpa.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/nuclear.py to nuclear.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/opa.py to opa.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/orbitals.py to orbitals.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/population.py to population.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/stockholder.py to stockholder.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/method/volume.py to volume.cpython-312.pyc /usr/lib/python3.12/site-packages/cclib/method/volume.py:17: SyntaxWarning: invalid escape sequence '\p' byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/__init__.py to __init__.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/adfparser.py to adfparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/daltonparser.py to daltonparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/data.py to data.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/fchkparser.py to fchkparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/gamessparser.py to gamessparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/gamessukparser.py to gamessukparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/gaussianparser.py to gaussianparser.cpython-312.pyc /usr/lib/python3.12/site-packages/cclib/parser/gaussianparser.py:296: SyntaxWarning: invalid escape sequence '\s' byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/jaguarparser.py to jaguarparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/logfileparser.py to logfileparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/molcasparser.py to molcasparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/molproparser.py to molproparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/mopacparser.py to mopacparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/nwchemparser.py to nwchemparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/orcaparser.py to orcaparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/psi3parser.py to psi3parser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/psi4parser.py to psi4parser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/qchemparser.py to qchemparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/turbomoleparser.py to turbomoleparser.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/parser/utils.py to utils.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/progress/__init__.py to __init__.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/progress/qt4progress.py to qt4progress.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/progress/textprogress.py to textprogress.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/__init__.py to __init__.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccframe.py to ccframe.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccget.py to ccget.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccwrite.py to ccwrite.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/cda.py to cda.cpython-312.pyc byte-compiling /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/__init__.py to __init__.cpython-312.pyc writing byte-compilation script '/tmp/tmpkc0pamx8.py' /usr/bin/python3 /tmp/tmpkc0pamx8.py /usr/lib/python3.12/site-packages/cclib/method/volume.py:17: SyntaxWarning: invalid escape sequence '\p' /usr/lib/python3.12/site-packages/cclib/parser/gaussianparser.py:296: SyntaxWarning: invalid escape sequence '\s' removing /tmp/tmpkc0pamx8.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-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib-1.7.1-py3.12.egg-info running install_scripts Installing ccframe script to /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/bin Installing ccget script to /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/bin Installing ccwrite script to /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/bin Installing cda script to /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/bin + rm -rfv /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/bin/__pycache__ + for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/*.py + sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/__init__.py + touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/__init__.py /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/__init__.py.new + mv /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/__init__.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/__init__.py + for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/*.py + sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccframe.py + touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccframe.py /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccframe.py.new + mv /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccframe.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccframe.py + for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/*.py + sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccget.py + touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccget.py /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccget.py.new + mv /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccget.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccget.py + for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/*.py + sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccwrite.py + touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccwrite.py /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccwrite.py.new + mv /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccwrite.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/ccwrite.py + for lib in /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/*.py + sed '1{\@^#!/usr/bin/env python@d}' /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/cda.py + touch -r /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/cda.py /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/cda.py.new + mv /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/cda.py.new /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages/cclib/scripts/cda.py + /usr/bin/find-debuginfo -j4 --strict-build-id -m -i --build-id-seed 1.7.1-7.20220618git8e6892a5.fc40 --unique-debug-suffix -1.7.1-7.20220618git8e6892a5.fc40.x86_64 --unique-debug-src-base python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 110000000 -S debugsourcefiles.list /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b find-debuginfo: starting Extracting debug info from 0 files Creating .debug symlinks for symlinks to ELF files find: ‘debug’: No such file or directory find-debuginfo: done + /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 + env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j4 Bytecompiling .py files below /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12 using python3.12 /usr/lib/python3.12/site-packages/cclib/method/volume.py:17: SyntaxWarning: invalid escape sequence '\p' /usr/lib/python3.12/site-packages/cclib/method/volume.py:17: SyntaxWarning: invalid escape sequence '\p' /usr/lib/python3.12/site-packages/cclib/parser/gaussianparser.py:296: SyntaxWarning: invalid escape sequence '\s' /usr/lib/python3.12/site-packages/cclib/parser/gaussianparser.py:296: SyntaxWarning: invalid escape sequence '\s' + /usr/lib/rpm/redhat/brp-python-hardlink Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.0ClMTS + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-Wl,-z,relro -Clink-arg=-Wl,-z,now -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/lib/python3.12/site-packages + /usr/bin/python3 -m test.test_data /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/method/volume.py:17: SyntaxWarning: invalid escape sequence '\p' """ In the dictionary sym2powerlist below, each element is a list that contain the combinations of /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/cclib/parser/gaussianparser.py:296: SyntaxWarning: invalid escape sequence '\s' match = re.search('NQMF=\s*(\d+)', line) :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 0.001s 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) *** 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 0.001s 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) *** 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 0.001s 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) *** 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 0.001s 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_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 0.001s 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/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 0.001s OK *** basicGAMESS-UK8.0/dvb_sp_ks.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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/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 0.001s 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/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 0.001s 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) *** 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 0.001s OK *** basicGaussian09/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s OK *** basicGaussian16/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s OK *** basicJaguar8.3/dvb_sp_hf.out: Customized basis set unittest *** testcoeffs (test.data.testBasis.JaguarBasisTest.testcoeffs) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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_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 0.001s 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_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 0.001s 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) *** 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 0.001s 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/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 0.001s 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) *** basicNWChem6.0/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 0.001s 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) *** basicNWChem6.0/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 0.001s 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/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 0.001s 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/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 0.001s 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_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 0.001s 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_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 0.001s 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_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 0.001s OK *** basicPsi4-1.2.1/dvb_sp_rhf.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s OK *** basicPsi4-1.2.1/dvb_sp_rks.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s OK *** basicPsi4-1.3.1/dvb_sp_rhf.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s OK *** basicPsi4-1.3.1/dvb_sp_rks.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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_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 0.001s OK *** basicQChem5.4/dvb_sp.out: Generic basis set unittest *** testcoeffs (test.data.testBasis.GenericBasisTest.testcoeffs) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 4 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) *** 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 0.000s 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_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 0.000s 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_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 0.001s 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/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 0.001s 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) *** 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 0.000s 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_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 0.000s 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_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 *** basicQChem5.4/water_cis.out: Customized CIS(RHF)/STO-3G water unittest *** testetenergiesvalues (test.data.testCI.QChemCISTest.testetenergiesvalues) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testetsecsvalues (test.data.testCI.QChemCISTest.testetsecsvalues) ... ok testsecs (test.data.testCI.QChemCISTest.testsecs) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK *** basicADF2007.01/MoOCl4-sp.adfout: Customized core electrons unittest *** testcharge (test.data.testCore.ADFCoreTest.testcharge) ... ok testcorrect (test.data.testCore.ADFCoreTest.testcorrect) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicADF2013.01/MoOCl4-sp.adfout: Customized core electrons unittest *** testcharge (test.data.testCore.ADFCoreTest.testcharge) ... 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) testcorrect (test.data.testCore.ADFCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicQChem5.2/MoOCl4_sp_modified.FChk: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... 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) testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... skipped 'Core electrons do not seem to be available' ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK (skipped=1) *** basicGAMESS-UK7.0/MoOCl4-sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... 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) testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicGAMESS-UK8.0/MoOCl4-sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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/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 0.000s OK *** basicGAMESS-US2018/MoOCl4-sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... 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) testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... 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/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 0.000s 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/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 0.000s OK *** basicJaguar8.3/MoOCl4-sp.out: Customized core electrons unittest *** testcharge (test.data.testCore.JaguarCoreTest.testcharge) ... ok testcorrect (test.data.testCore.JaguarCoreTest.testcorrect) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicOpenMolcas18.0/MoOCl4_sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... 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) testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicQChem5.1/MoOCl4_sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... 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) testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicQChem5.4/MoOCl4_sp.out: Generic core electrons unittest *** testcharge (test.data.testCore.GenericCoreTest.testcharge) ... ok testcorrect (test.data.testCore.GenericCoreTest.testcorrect) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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) *** 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 0.002s 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) *** 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 0.002s 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_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 0.002s 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_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 0.002s 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_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 0.002s 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_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 0.002s 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) *** 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 0.002s 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) *** 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 0.002s 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) *** 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 0.002s 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) *** 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 0.002s 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) *** 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 0.002s 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) *** 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 0.002s 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) *** 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 0.002s 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_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 0.002s 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_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 0.002s 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) *** 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 0.002s OK (skipped=2) *** basicJaguar8.3/dvb_gopt_ks.out: Generic geometry optimization unittest *** test_success (test.data.testGeoOpt.GenericGeoOptTest.test_success) ... 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) 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 0.002s 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) *** 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 0.002s 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 0.002s OK (skipped=1) *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.002s 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) *** 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 0.002s OK (skipped=11) *** basicNWChem6.0/dvb_gopt_hf.out: Customized restricted single point HF unittest *** test_success (test.data.testGeoOpt.NWChemGeoOptTest.test_success) ... 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) 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 0.002s OK (skipped=2) *** basicNWChem6.0/dvb_gopt_ks.out: Customized restricted single point HF unittest *** test_success (test.data.testGeoOpt.NWChemGeoOptTest.test_success) ... 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) 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 0.002s 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) *** 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 0.002s OK (skipped=2) *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.002s 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) *** 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 0.002s 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) *** 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 0.002s 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) *** 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 0.002s 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) *** 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 0.002s 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_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 0.002s 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_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 0.002s 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_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 0.002s 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_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 0.002s 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) *** 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 0.002s 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) *** 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 0.002s 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) *** 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 0.002s OK (skipped=1) *** basicDALTON-2013/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicDALTON-2015/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 *** basicGAMESS-UK7.0/water_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 *** basicGAMESS-UK8.0/water_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicGAMESS-US2017/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicGAMESS-US2018/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicGaussian09/water_mp2.log: Customized MP2 unittest *** testnocoeffs (test.data.testMP.GaussianMP2Test.testnocoeffs) Are natural orbital occupation numbers the right size? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 *** basicGaussian16/water_mp3.log: Customized MP3 unittest *** testsign (test.data.testMP.GaussianMP3Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GaussianMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicGaussian09/water_mp4sdq.log: Customized MP4-SDQ unittest *** testsign (test.data.testMP.GaussianMP4SDQTest.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GaussianMP4SDQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicGaussian16/water_mp4sdq.log: Customized MP4-SDQ unittest *** testsign (test.data.testMP.GaussianMP4SDQTest.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 *** basicGaussian09/water_mp5.log: Generic MP5 unittest *** testsign (test.data.testMP.GenericMP5Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 *** 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) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py: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 *** basicMolpro2006/h2o_mp4.out: Generic MP4(SDTQ) unittest *** testsign (test.data.testMP.GenericMP4SDTQTest.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 *** basicORCA4.1/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** 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 /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ---------------------------------------------------------------------- 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 *** basicORCA4.1/water_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicORCA4.2/water_mp3.out: Generic MP3 unittest *** testsign (test.data.testMP.GenericMP3Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GenericMP3Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** 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 /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ---------------------------------------------------------------------- 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 *** basicQChem5.1/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicQChem5.1/water_mp4sdq.out: Customized MP4-SDQ unittest *** testsign (test.data.testMP.QChemMP4SDQTest.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.QChemMP4SDQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicQChem5.1/water_mp4.out: Customized MP4-SD(T)Q unittest *** testsign (test.data.testMP.QChemMP4SDTQTest.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.QChemMP4SDTQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** basicQChem5.4/water_mp2.out: Generic MP2 unittest *** testsign (test.data.testMP.GenericMP2Test.testsign) Are the Moller-Plesset corrections negative? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.QChemMP4SDTQTest.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testsizeandshape (test.data.testMP.GenericMP2Test.testsizeandshape) (MP2) Are the dimensions of mpenergies correct? ... ok ---------------------------------------------------------------------- Ran 2 tests in 0.000s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 *** 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 ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok ---------------------------------------------------------------------- Ran 1 test in 0.000s OK *** 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 /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ---------------------------------------------------------------------- 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 0.000s 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/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 0.000s OK *** basicGAMESS-US2018/Trp_polar_tdhf.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... 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/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 0.000s OK *** basicGaussian16/Trp_polar.log: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK *** basicGaussian16/Trp_polar_G16C01.log: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... 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) *** 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 0.000s OK *** basicNWChem6.5/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK *** basicORCA4.1/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK *** basicORCA4.2/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK *** basicORCA5.0/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK *** basicQChem5.1/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... ok ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK *** basicQChem5.4/Trp_polar.out: Customized static polarizability unittest *** testisotropic (test.data.testPolar.ReferencePolarTest.testisotropic) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ok testprincomponents (test.data.testPolar.ReferencePolarTest.testprincomponents) ... ok testshape (test.data.testPolar.ReferencePolarTest.testshape) ... 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_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 0.000s 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_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 0.001s 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: 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 0.000s 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_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 0.001s 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_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 0.000s OK *** 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 0.000s 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) /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py: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 0.000s 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 0.000s 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 0.000s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s OK (skipped=4) *** basicGAMESS-UK8.0/dvb_sp_hf.out: None *** testaooverlaps (test.data.testSP.GenericHFSPTest.testaooverlaps) ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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) *** 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 0.003s 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) *** 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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) *** 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 0.003s 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) *** 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 0.003s 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) *** 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.003s 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 0.001s 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/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 0.001s 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) *** 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 0.001s 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_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 0.001s OK (skipped=2) *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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_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 0.001s 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) *** basicQChem5.2/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 0.001s 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-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 0.001s 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/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 0.001s 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/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 0.001s 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/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 0.001s 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/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 0.001s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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_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 0.001s OK *** 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 /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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) *** 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 0.001s OK (skipped=2) *** 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 /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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/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 0.001s 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/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 0.001s 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/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 0.001s OK (skipped=1) *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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) *** 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 0.001s 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/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 0.001s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s OK (skipped=1) *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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) *** 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 0.001s 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) *** basicPsi4-1.2.1/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 0.001s 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) *** 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 0.001s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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) *** 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 0.001s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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_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 0.001s OK *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.001s 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) *** 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 0.001s 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_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 0.000s 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) *** 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 0.000s 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) *** 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 0.000s 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) *** 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 0.000s 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 0.000s 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) *** 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 0.000s 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-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 0.000s 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-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 0.000s 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-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 0.000s 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-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 0.000s 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) *** 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 0.000s 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) *** 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 0.000s 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) *** 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 0.000s 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_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 0.000s 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_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 0.000s 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_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 0.000s 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_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 0.000s 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_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 0.000s 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_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 0.000s 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) *** 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 0.000s 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) *** 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 0.000s 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/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 0.000s 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/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 0.000s 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) *** 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 0.000s 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) *** 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 0.000s 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) *** 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 0.000s 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/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 0.000s 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/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 0.000s 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) *** 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 0.000s 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 0.000s 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) *** 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 0.000s 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) *** 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 0.000s 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) *** 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 0.001s 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_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 0.001s 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_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 0.001s 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_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 0.001s 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_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 0.001s 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) *** 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 0.000s OK *** basicJaguar8.3/dvb_ir.out: Customized vibrational frequency unittest *** testbasics (test.data.testvib.JaguarIRTest.testbasics) Are basic attributes correct? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.000s 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/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 0.001s OK (skipped=1) *** basicMolpro2006/dvb_ir.out,dvb_ir.log: Generic vibrational frequency unittest *** testbasics (test.data.testvib.GenericIRTest.testbasics) Are basic attributes correct? ... 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) 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 0.000s 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) *** 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 0.000s 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) *** 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 0.000s OK (skipped=3) *** basicORCA4.1/dvb_ir.out: Generic vibrational frequency unittest *** testbasics (test.data.testvib.GenericIRTest.testbasics) Are basic attributes correct? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.000s OK (skipped=2) *** basicORCA4.2/dvb_ir.out: Generic vibrational frequency unittest *** testbasics (test.data.testvib.GenericIRTest.testbasics) Are basic attributes correct? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.000s 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_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 0.000s OK (skipped=2) *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.000s 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) *** 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 0.000s 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) *** 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 0.001s 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/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 0.001s 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) *** 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 0.000s OK (skipped=1) *** basicGAMESS-US2017/nh3_ts_ir.out: Generic imaginary vibrational frequency unittest *** testfreqval (test.data.testvib.GenericIRimgTest.testfreqval) Is the lowest freq value negative? ... 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) 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 *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 0.000s OK *** basicGAMESS-UK7.0/dvb_raman.out: Generic Raman unittest *** testlengths (test.data.testvib.GenericRamanTest.testlengths) Is the length of vibramans correct? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 *** basicFirefly8.0/dvb_raman.out: Generic Raman unittest *** testlengths (test.data.testvib.GenericRamanTest.testlengths) Is the length of vibramans correct? ... 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) 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 *** basicGaussian09/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.GaussianRamanTest.testlengths) Is the length of vibramans correct? ... 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) 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 *** 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 /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) ---------------------------------------------------------------------- Ran 3 tests in 0.000s OK *** basicORCA4.1/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.OrcaRamanTest.testlengths) Is the length of vibramans correct? ... 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) 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 *** basicORCA4.2/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.OrcaRamanTest.testlengths) Is the length of vibramans correct? ... 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) 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 *** basicORCA5.0/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.OrcaRamanTest.testlengths) Is the length of vibramans correct? ... 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) 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 *** basicQChem5.1/dvb_raman.out: Customized Raman unittest *** testlengths (test.data.testvib.QChemRamanTest.testlengths) Is the length of vibramans correct? ... 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) 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 *** 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? ... /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/test/test_data.py:193: DeprecationWarning: unittest.makeSuite() is deprecated and will be removed in Python 3.13. Please use unittest.TestLoader.loadTestsFromTestCase() instead. myunittest = unittest.makeSuite(test) 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 343 291 0 0 52 FChk 54 35 0 0 19 GAMESS 354 324 0 0 30 GAMESSUK 256 234 0 0 22 Gaussian 372 361 0 0 11 Jaguar 262 225 0 0 37 MOPAC 21 10 0 0 11 Molcas 97 75 0 0 22 Molpro 197 172 0 0 25 NWChem 307 279 0 0 28 ORCA 348 318 0 0 30 Psi4 352 330 0 0 22 QChem 256 242 0 0 14 Turbomole 189 157 0 0 32 ********* SUMMARY OF EVERYTHING ************** TOTAL: 3576 PASSED: 3203 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-1.7.1-7.20220618git8e6892a5.fc40.noarch Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.kseLTF + umask 022 + cd /builddir/build/BUILD + cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b + DOCDIR=/builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/share/doc/python3-cclib + export LC_ALL= + LC_ALL= + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/share/doc/python3-cclib + cp -pr /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/CHANGELOG /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/share/doc/python3-cclib + cp -pr /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/ANNOUNCE /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/share/doc/python3-cclib + cp -pr /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/THANKS /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/share/doc/python3-cclib + RPM_EC=0 ++ jobs -p + exit 0 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.z6PRT8 + umask 022 + cd /builddir/build/BUILD + cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b + LICENSEDIR=/builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/share/licenses/python3-cclib + export LC_ALL= + LC_ALL= + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/share/licenses/python3-cclib + cp -pr /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b/LICENSE /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64/usr/share/licenses/python3-cclib + RPM_EC=0 ++ jobs -p + exit 0 Provides: python-cclib = 1.7.1-7.20220618git8e6892a5.fc40 python3-cclib = 1.7.1-7.20220618git8e6892a5.fc40 python3.12-cclib = 1.7.1-7.20220618git8e6892a5.fc40 python3.12dist(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) = 3.12 python3.12dist(numpy) python3.12dist(packaging) >= 19 python3.12dist(periodictable) python3.12dist(scipy) >= 1.2 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64 Wrote: /builddir/build/RPMS/python3-cclib-1.7.1-7.20220618git8e6892a5.fc40.noarch.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.Q7viKz + umask 022 + cd /builddir/build/BUILD + cd cclib-8e6892a562b7916a465a808e2fce43ca7688592b + /usr/bin/rm -rf /builddir/build/BUILDROOT/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.x86_64 + RPM_EC=0 ++ jobs -p + exit 0 Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.D3s03b + umask 022 + cd /builddir/build/BUILD + rm -rf /builddir/build/BUILD/cclib-8e6892a562b7916a465a808e2fce43ca7688592b-SPECPARTS + rm -rf cclib-8e6892a562b7916a465a808e2fce43ca7688592b cclib-8e6892a562b7916a465a808e2fce43ca7688592b.gemspec + RPM_EC=0 ++ jobs -p + exit 0 Finish: rpmbuild python-cclib-1.7.1-7.20220618git8e6892a5.fc40.src.rpm Finish: build phase for python-cclib-1.7.1-7.20220618git8e6892a5.fc40.src.rpm INFO: chroot_scan: 1 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-rawhide-x86_64-1706235937.436555/root/var/log/dnf5.log INFO: Done(/var/lib/copr-rpmbuild/results/python-cclib-1.7.1-7.20220618git8e6892a5.fc40.src.rpm) Config(child) 0 minutes 16 seconds INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results INFO: Cleaning up build root ('cleanup_on_success=True') Start: clean chroot INFO: unmounting tmpfs. Finish: clean chroot Finish: run Running RPMResults tool Package info: { "packages": [ { "name": "python-cclib", "epoch": null, "version": "1.7.1", "release": "7.20220618git8e6892a5.fc40", "arch": "src" }, { "name": "python3-cclib", "epoch": null, "version": "1.7.1", "release": "7.20220618git8e6892a5.fc40", "arch": "noarch" } ] } RPMResults finished