Warning: Permanently added '98.84.136.139' (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/9714965-fedora-42-aarch64 --chroot fedora-42-aarch64 Version: 1.6 PID: 8960 Logging PID: 8962 Task: {'allow_user_ssh': False, 'appstream': False, 'background': True, 'build_id': 9714965, 'buildroot_pkgs': [], 'chroot': 'fedora-42-aarch64', 'enable_net': False, 'fedora_review': False, 'git_hash': '09e882c223ef427b8431ec341239fa866f77e0b5', 'git_repo': 'https://copr-dist-git.fedorainfracloud.org/git/psimovec/python3-scipy-1.11.1/python-pyscf', 'isolation': 'default', 'memory_reqs': 2048, 'package_name': 'python-pyscf', 'package_version': '2.11.0-1', 'project_dirname': 'python3-scipy-1.11.1', 'project_name': 'python3-scipy-1.11.1', 'project_owner': 'psimovec', 'repo_priority': None, 'repos': [{'baseurl': 'https://download.copr.fedorainfracloud.org/results/psimovec/python3-scipy-1.11.1/fedora-42-aarch64/', '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/python3-scipy-1.11.1--https://src.fedoraproject.org/user/jussilehtola', 'source_json': {}, 'source_type': None, 'ssh_public_keys': None, 'storage': None, 'submitter': 'https://src.fedoraproject.org/user/jussilehtola', 'tags': [], 'task_id': '9714965-fedora-42-aarch64', 'timeout': 18000, 'uses_devel_repo': False, 'with_opts': [], 'without_opts': []} Running: git clone https://copr-dist-git.fedorainfracloud.org/git/psimovec/python3-scipy-1.11.1/python-pyscf /var/lib/copr-rpmbuild/workspace/workdir-so0syuda/python-pyscf --depth 500 --no-single-branch --recursive cmd: ['git', 'clone', 'https://copr-dist-git.fedorainfracloud.org/git/psimovec/python3-scipy-1.11.1/python-pyscf', '/var/lib/copr-rpmbuild/workspace/workdir-so0syuda/python-pyscf', '--depth', '500', '--no-single-branch', '--recursive'] cwd: . rc: 0 stdout: stderr: Cloning into '/var/lib/copr-rpmbuild/workspace/workdir-so0syuda/python-pyscf'... Running: git checkout 09e882c223ef427b8431ec341239fa866f77e0b5 -- cmd: ['git', 'checkout', '09e882c223ef427b8431ec341239fa866f77e0b5', '--'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-so0syuda/python-pyscf rc: 0 stdout: stderr: Note: switching to '09e882c223ef427b8431ec341239fa866f77e0b5'. 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 09e882c automatic import of python-pyscf Running: dist-git-client sources cmd: ['dist-git-client', 'sources'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-so0syuda/python-pyscf 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 pyscf-2.11.0.tar.gz INFO: Reading stdout from command: curl --help all INFO: Calling: curl -H Pragma: -o pyscf-2.11.0.tar.gz --location --connect-timeout 60 --retry 3 --retry-delay 10 --remote-time --show-error --fail --retry-all-errors https://copr-dist-git.fedorainfracloud.org/repo/pkgs/psimovec/python3-scipy-1.11.1/python-pyscf/pyscf-2.11.0.tar.gz/md5/168792ff957ce24df1141e5ae2147149/pyscf-2.11.0.tar.gz % Total % Received % Xferd Average Speed Time Time Time Current Dload Upload Total Spent Left Speed 100 11.1M 100 11.1M 0 0 251M 0 --:--:-- --:--:-- --:--:-- 253M INFO: Reading stdout from command: md5sum pyscf-2.11.0.tar.gz tail: /var/lib/copr-rpmbuild/main.log: file truncated Running (timeout=18000): unbuffer mock --spec /var/lib/copr-rpmbuild/workspace/workdir-so0syuda/python-pyscf/python-pyscf.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-so0syuda/python-pyscf --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1761121282.871077 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 6.4 starting (python version = 3.13.7, NVR = mock-6.4-1.fc42), args: /usr/libexec/mock/mock --spec /var/lib/copr-rpmbuild/workspace/workdir-so0syuda/python-pyscf/python-pyscf.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-so0syuda/python-pyscf --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1761121282.871077 -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-so0syuda/python-pyscf/python-pyscf.spec) Config(fedora-42-aarch64) Start: clean chroot Finish: clean chroot Mock Version: 6.4 INFO: Mock Version: 6.4 Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-42-aarch64-bootstrap-1761121282.871077/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 container image: registry.fedoraproject.org/fedora:42 INFO: Pulling image: registry.fedoraproject.org/fedora:42 INFO: Tagging container image as mock-bootstrap-f5875063-57bd-4389-b125-e0fdff1a940d INFO: Checking that beb547fd3ba7e6c3d5ae76be718a7c7af0fc02e32bf712b5f7e39737357f86b5 image matches host's architecture INFO: Copy content of container beb547fd3ba7e6c3d5ae76be718a7c7af0fc02e32bf712b5f7e39737357f86b5 to /var/lib/mock/fedora-42-aarch64-bootstrap-1761121282.871077/root INFO: mounting beb547fd3ba7e6c3d5ae76be718a7c7af0fc02e32bf712b5f7e39737357f86b5 with podman image mount INFO: image beb547fd3ba7e6c3d5ae76be718a7c7af0fc02e32bf712b5f7e39737357f86b5 as /var/lib/containers/storage/overlay/ea2ee7d83e8efa672767923f70aa5b809b3c14196d2f5bcef8a68ea2a21ed6db/merged INFO: umounting image beb547fd3ba7e6c3d5ae76be718a7c7af0fc02e32bf712b5f7e39737357f86b5 (/var/lib/containers/storage/overlay/ea2ee7d83e8efa672767923f70aa5b809b3c14196d2f5bcef8a68ea2a21ed6db/merged) with podman image umount INFO: Removing image mock-bootstrap-f5875063-57bd-4389-b125-e0fdff1a940d INFO: Package manager dnf5 detected and used (fallback) INFO: Not updating bootstrap chroot, bootstrap_image_ready=True Start(bootstrap): creating root cache Finish(bootstrap): creating root cache Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-42-aarch64-1761121282.871077/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-4.20.1-1.fc42.aarch64 rpm-sequoia-1.7.0-5.fc42.aarch64 dnf5-5.2.16.0-1.fc42.aarch64 dnf5-plugins-5.2.16.0-1.fc42.aarch64 Start: installing minimal buildroot with dnf5 Updating and loading repositories: Copr repository 100% | 1.4 MiB/s | 280.7 KiB | 00m00s Additional repo http_kojipkgs_fedorapr 100% | 19.1 MiB/s | 14.3 MiB | 00m01s fedora 100% | 22.9 MiB/s | 34.2 MiB | 00m01s updates 100% | 4.6 MiB/s | 9.2 MiB | 00m02s Repositories loaded. 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http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 329.6 KiB tpm2-tss aarch64 4.1.3-8.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.1 MiB tree-sitter-srpm-macros noarch 0.4.2-1.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.3 KiB util-linux-core aarch64 2.41.1-17.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.4 MiB xxhash-libs aarch64 0.8.3-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 86.0 KiB xz-libs aarch64 1:5.8.1-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 201.5 KiB zig-srpm-macros noarch 1-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.1 KiB zip aarch64 3.0-44.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 762.5 KiB zlib-ng-compat aarch64 2.2.5-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 133.4 KiB zstd aarch64 1.5.7-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 574.0 KiB Installing groups: Buildsystem building group Transaction Summary: Installing: 177 packages Total size of inbound packages is 64 MiB. Need to download 64 MiB. After this operation, 247 MiB extra will be used (install 247 MiB, remove 0 B). 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sed-0:4.9-5.fc43.aarch64 100% | 11.1 MiB/s | 305.9 KiB | 00m00s [ 15/177] shadow-utils-2:4.18.0-3.fc43. 100% | 5.2 MiB/s | 1.2 MiB | 00m00s [ 16/177] tar-2:1.35-6.fc43.aarch64 100% | 30.5 MiB/s | 842.2 KiB | 00m00s [ 17/177] unzip-0:6.0-68.fc44.aarch64 100% | 7.6 MiB/s | 186.4 KiB | 00m00s [ 18/177] util-linux-0:2.41.1-17.fc44.a 100% | 39.1 MiB/s | 1.1 MiB | 00m00s [ 19/177] which-0:2.23-3.fc43.aarch64 100% | 1.7 MiB/s | 41.4 KiB | 00m00s [ 20/177] xz-1:5.8.1-2.fc43.aarch64 100% | 20.9 MiB/s | 557.5 KiB | 00m00s [ 21/177] coreutils-common-0:9.8-3.fc44 100% | 66.8 MiB/s | 2.1 MiB | 00m00s [ 22/177] glibc-0:2.42.9000-7.fc44.aarc 100% | 7.8 MiB/s | 1.8 MiB | 00m00s [ 23/177] fedora-repos-0:44-0.1.noarch 100% | 378.1 KiB/s | 9.1 KiB | 00m00s [ 24/177] glibc-common-0:2.42.9000-7.fc 100% | 12.5 MiB/s | 320.6 KiB | 00m00s [ 25/177] gap-srpm-macros-0:2-1.fc44.no 100% | 377.2 KiB/s | 9.1 KiB | 00m00s [ 26/177] java-srpm-macros-0:1-7.fc43.n 100% | 305.5 KiB/s | 7.9 KiB | 00m00s [ 27/177] rpm-0:6.0.0-1.fc44.aarch64 100% | 16.7 MiB/s | 547.2 KiB | 00m00s [ 28/177] libblkid-0:2.41.1-17.fc44.aar 100% | 4.4 MiB/s | 121.4 KiB | 00m00s [ 29/177] libfdisk-0:2.41.1-17.fc44.aar 100% | 5.4 MiB/s | 153.7 KiB | 00m00s [ 30/177] liblastlog2-0:2.41.1-17.fc44. 100% | 942.2 KiB/s | 23.6 KiB | 00m00s [ 31/177] libmount-0:2.41.1-17.fc44.aar 100% | 6.2 MiB/s | 158.5 KiB | 00m00s [ 32/177] libsmartcols-0:2.41.1-17.fc44 100% | 3.2 MiB/s | 82.3 KiB | 00m00s [ 33/177] libuuid-0:2.41.1-17.fc44.aarc 100% | 1.1 MiB/s | 25.8 KiB | 00m00s [ 34/177] util-linux-core-0:2.41.1-17.f 100% | 19.0 MiB/s | 525.1 KiB | 00m00s [ 35/177] xz-libs-1:5.8.1-2.fc43.aarch6 100% | 4.5 MiB/s | 111.3 KiB | 00m00s [ 36/177] glibc-gconv-extra-0:2.42.9000 100% | 49.6 MiB/s | 1.6 MiB | 00m00s [ 37/177] fedora-gpg-keys-0:44-0.1.noar 100% | 4.8 MiB/s | 127.7 KiB | 00m00s [ 38/177] fedora-repos-rawhide-0:44-0.1 100% | 360.3 KiB/s | 8.6 KiB | 00m00s [ 39/177] rpm-libs-0:6.0.0-1.fc44.aarch 100% | 13.7 MiB/s | 378.9 KiB | 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26.0 MiB/s | 1.6 MiB | 00m00s [ 66/177] gnupg2-gpg-agent-0:2.4.8-4.fc 100% | 9.3 MiB/s | 265.9 KiB | 00m00s [ 67/177] gnupg2-gpgconf-0:2.4.8-4.fc43 100% | 4.3 MiB/s | 113.9 KiB | 00m00s [ 68/177] gnupg2-keyboxd-0:2.4.8-4.fc43 100% | 3.6 MiB/s | 91.2 KiB | 00m00s [ 69/177] gnupg2-verify-0:2.4.8-4.fc43. 100% | 5.9 MiB/s | 164.1 KiB | 00m00s [ 70/177] ima-evm-utils-libs-0:1.6.2-6. 100% | 1.1 MiB/s | 29.3 KiB | 00m00s [ 71/177] libfsverity-0:1.6-3.fc43.aarc 100% | 687.8 KiB/s | 18.6 KiB | 00m00s [ 72/177] libstdc++-0:15.2.1-2.fc44.aar 100% | 29.7 MiB/s | 851.5 KiB | 00m00s [ 73/177] popt-0:1.19-9.fc43.aarch64 100% | 2.2 MiB/s | 58.7 KiB | 00m00s [ 74/177] libzstd-0:1.5.7-3.fc44.aarch6 100% | 9.8 MiB/s | 332.1 KiB | 00m00s [ 75/177] openssl-libs-1:3.5.4-1.fc44.a 100% | 54.4 MiB/s | 2.4 MiB | 00m00s [ 76/177] lua-libs-0:5.4.8-2.fc43.aarch 100% | 4.8 MiB/s | 127.9 KiB | 00m00s [ 77/177] sqlite-libs-0:3.50.4-1.fc44.a 100% | 17.7 MiB/s | 743.4 KiB | 00m00s [ 78/177] elfutils-libelf-0:0.193-3.fc4 100% | 6.7 MiB/s | 206.5 KiB | 00m00s [ 79/177] elfutils-libs-0:0.193-3.fc43. 100% | 10.4 MiB/s | 265.4 KiB | 00m00s [ 80/177] elfutils-0:0.193-3.fc43.aarch 100% | 17.8 MiB/s | 529.9 KiB | 00m00s [ 81/177] elfutils-debuginfod-client-0: 100% | 1.8 MiB/s | 46.2 KiB | 00m00s [ 82/177] file-libs-0:5.46-8.fc44.aarch 100% | 25.9 MiB/s | 848.0 KiB | 00m00s [ 83/177] file-0:5.46-8.fc44.aarch64 100% | 1.8 MiB/s | 49.1 KiB | 00m00s [ 84/177] libgomp-0:15.2.1-2.fc44.aarch 100% | 13.6 MiB/s | 361.3 KiB | 00m00s [ 85/177] debugedit-0:5.2-3.fc44.aarch6 100% | 2.8 MiB/s | 84.6 KiB | 00m00s [ 86/177] binutils-0:2.45.50-5.fc44.aar 100% | 90.3 MiB/s | 6.2 MiB | 00m00s [ 87/177] libarchive-0:3.8.2-1.fc44.aar 100% | 12.2 MiB/s | 412.9 KiB | 00m00s [ 88/177] pkgconf-pkg-config-0:2.3.0-3. 100% | 354.8 KiB/s | 9.6 KiB | 00m00s [ 89/177] pkgconf-0:2.3.0-3.fc43.aarch6 100% | 1.7 MiB/s | 44.4 KiB | 00m00s [ 90/177] pkgconf-m4-0:2.3.0-3.fc43.noa 100% | 448.7 KiB/s | 13.9 KiB | 00m00s [ 91/177] libpkgconf-0:2.3.0-3.fc43.aar 100% | 1.4 MiB/s | 37.9 KiB | 00m00s [ 92/177] zstd-0:1.5.7-3.fc44.aarch64 100% | 5.9 MiB/s | 182.6 KiB | 00m00s [ 93/177] curl-0:8.17.0~rc1-1.fc44.aarc 100% | 8.5 MiB/s | 234.8 KiB | 00m00s [ 94/177] build-reproducibility-srpm-ma 100% | 514.3 KiB/s | 12.9 KiB | 00m00s [ 95/177] ansible-srpm-macros-0:1-18.1. 100% | 663.6 KiB/s | 19.9 KiB | 00m00s [ 96/177] add-determinism-0:0.7.2-2.fc4 100% | 25.2 MiB/s | 825.0 KiB | 00m00s [ 97/177] linkdupes-0:0.7.2-2.fc44.aarc 100% | 10.6 MiB/s | 337.5 KiB | 00m00s [ 98/177] dwz-0:0.16-2.fc43.aarch64 100% | 4.6 MiB/s | 132.2 KiB | 00m00s [ 99/177] efi-srpm-macros-0:6-4.fc43.no 100% | 746.4 KiB/s | 22.4 KiB | 00m00s [100/177] filesystem-srpm-macros-0:3.18 100% | 880.4 KiB/s | 26.4 KiB | 00m00s [101/177] fonts-srpm-macros-1:5.0.0-1.f 100% | 880.3 KiB/s | 27.3 KiB | 00m00s [102/177] forge-srpm-macros-0:0.4.0-3.f 100% | 803.6 KiB/s | 20.1 KiB | 00m00s [103/177] fpc-srpm-macros-0:1.3-15.fc43 100% | 343.1 KiB/s | 7.9 KiB | 00m00s [104/177] gnat-srpm-macros-0:6-8.fc43.n 100% | 369.0 KiB/s | 8.5 KiB | 00m00s [105/177] ghc-srpm-macros-0:1.9.2-3.fc4 100% | 336.4 KiB/s | 8.7 KiB | 00m00s [106/177] go-srpm-macros-0:3.8.0-1.fc44 100% | 1.0 MiB/s | 28.3 KiB | 00m00s [107/177] kernel-srpm-macros-0:1.0-27.f 100% | 330.4 KiB/s | 8.9 KiB | 00m00s [108/177] lua-srpm-macros-0:1-16.fc43.n 100% | 364.9 KiB/s | 8.8 KiB | 00m00s [109/177] ocaml-srpm-macros-0:11-2.fc43 100% | 385.9 KiB/s | 9.3 KiB | 00m00s [110/177] openblas-srpm-macros-0:2-20.f 100% | 330.2 KiB/s | 7.6 KiB | 00m00s [111/177] package-notes-srpm-macros-0:0 100% | 374.4 KiB/s | 9.0 KiB | 00m00s [112/177] pyproject-srpm-macros-0:1.18. 100% | 549.3 KiB/s | 13.7 KiB | 00m00s [113/177] perl-srpm-macros-0:1-60.fc43. 100% | 276.3 KiB/s | 8.3 KiB | 00m00s [114/177] python-srpm-macros-0:3.14-8.f 100% | 815.6 KiB/s | 23.7 KiB | 00m00s [115/177] qt5-srpm-macros-0:5.15.17-2.f 100% | 320.8 KiB/s | 8.7 KiB | 00m00s [116/177] qt6-srpm-macros-0:6.10.0-1.fc 100% | 389.9 KiB/s | 9.4 KiB | 00m00s [117/177] rust-srpm-macros-0:26.4-1.fc4 100% | 413.3 KiB/s | 11.2 KiB | 00m00s [118/177] tree-sitter-srpm-macros-0:0.4 100% | 556.3 KiB/s | 13.4 KiB | 00m00s [119/177] zig-srpm-macros-0:1-5.fc43.no 100% | 366.7 KiB/s | 8.4 KiB | 00m00s [120/177] zip-0:3.0-44.fc43.aarch64 100% | 8.8 MiB/s | 262.6 KiB | 00m00s [121/177] ed-0:1.22.2-1.fc44.aarch64 100% | 3.0 MiB/s | 83.1 KiB | 00m00s [122/177] libattr-0:2.5.2-6.fc43.aarch6 100% | 708.8 KiB/s | 17.7 KiB | 00m00s [123/177] ca-certificates-0:2025.2.80_v 100% | 29.7 MiB/s | 973.8 KiB | 00m00s [124/177] crypto-policies-0:20250714-5. 100% | 2.7 MiB/s | 75.1 KiB | 00m00s [125/177] pcre2-0:10.46-1.fc44.aarch64 100% | 9.1 MiB/s | 242.7 KiB | 00m00s [126/177] pcre2-syntax-0:10.46-1.fc44.n 100% | 5.7 MiB/s | 162.2 KiB | 00m00s [127/177] libxml2-0:2.12.10-5.fc44.aarc 100% | 22.9 MiB/s | 678.7 KiB | 00m00s [128/177] lz4-libs-0:1.10.0-3.fc43.aarc 100% | 2.9 MiB/s | 79.5 KiB | 00m00s [129/177] tpm2-tss-0:4.1.3-8.fc43.aarch 100% | 13.3 MiB/s | 395.9 KiB | 00m00s [130/177] libassuan-0:2.5.7-4.fc43.aarc 100% | 2.3 MiB/s | 66.5 KiB | 00m00s [131/177] libgcrypt-0:1.11.1-2.fc43.aar 100% | 15.3 MiB/s | 517.6 KiB | 00m00s [132/177] libgpg-error-0:1.56-1.fc44.aa 100% | 8.1 MiB/s | 240.6 KiB | 00m00s [133/177] npth-0:1.8-3.fc43.aarch64 100% | 1.0 MiB/s | 25.0 KiB | 00m00s [134/177] libksba-0:1.6.7-4.fc43.aarch6 100% | 5.9 MiB/s | 157.5 KiB | 00m00s [135/177] systemd-libs-0:258.1-2.fc44.a 100% | 154.4 KiB/s | 785.1 KiB | 00m05s [136/177] gmp-1:6.3.0-4.fc44.aarch64 100% | 8.8 MiB/s | 271.3 KiB | 00m00s [137/177] openldap-0:2.6.10-4.fc44.aarc 100% | 49.5 KiB/s | 251.2 KiB | 00m05s [138/177] gnutls-0:3.8.10-5.fc44.aarch6 100% | 259.5 KiB/s | 1.3 MiB | 00m05s [139/177] elfutils-default-yama-scope-0 100% | 428.4 KiB/s | 12.4 KiB | 00m00s [140/177] json-c-0:0.18-7.fc43.aarch64 100% | 1.6 MiB/s | 45.1 KiB | 00m00s [141/177] libffi-0:3.5.2-1.fc44.aarch64 100% | 1.5 MiB/s | 39.4 KiB | 00m00s [142/177] gnulib-l10n-0:20241231-1.fc44 100% | 5.0 MiB/s | 143.0 KiB | 00m00s [143/177] p11-kit-trust-0:0.25.8-1.fc44 100% | 5.6 MiB/s | 138.6 KiB | 00m00s [144/177] p11-kit-0:0.25.8-1.fc44.aarch 100% | 12.6 MiB/s | 478.5 KiB | 00m00s [145/177] alternatives-0:1.33-2.fc43.aa 100% | 1.5 MiB/s | 39.8 KiB | 00m00s [146/177] jansson-0:2.14-3.fc43.aarch64 100% | 1.9 MiB/s | 46.7 KiB | 00m00s [147/177] libusb1-0:1.0.29-4.fc44.aarch 100% | 2.9 MiB/s | 77.5 KiB | 00m00s [148/177] libtasn1-0:4.20.0-2.fc43.aarc 100% | 3.0 MiB/s | 73.8 KiB | 00m00s [149/177] cyrus-sasl-lib-0:2.1.28-33.fc 100% | 27.0 MiB/s | 773.3 KiB | 00m00s [150/177] libevent-0:2.1.12-16.fc43.aar 100% | 9.9 MiB/s | 253.4 KiB | 00m00s [151/177] libidn2-0:2.3.8-2.fc43.aarch6 100% | 6.3 MiB/s | 168.7 KiB | 00m00s [152/177] libunistring-0:1.1-10.fc43.aa 100% | 20.3 MiB/s | 539.2 KiB | 00m00s [153/177] mpfr-0:4.2.2-2.fc43.aarch64 100% | 63.5 KiB/s | 322.0 KiB | 00m05s [154/177] nettle-0:3.10.1-2.fc43.aarch6 100% | 15.4 MiB/s | 425.7 KiB | 00m00s [155/177] gdbm-libs-1:1.23-10.fc43.aarc 100% | 2.2 MiB/s | 56.0 KiB | 00m00s [156/177] fedora-release-0:44-0.5.noarc 100% | 451.9 KiB/s | 13.6 KiB | 00m00s [157/177] systemd-standalone-sysusers-0 100% | 4.9 MiB/s | 139.7 KiB | 00m00s [158/177] gdb-minimal-0:16.3-6.fc44.aar 100% | 78.6 MiB/s | 4.2 MiB | 00m00s [159/177] xxhash-libs-0:0.8.3-3.fc43.aa 100% | 1.1 MiB/s | 34.5 KiB | 00m00s [160/177] fedora-release-identity-basic 100% | 596.8 KiB/s | 14.3 KiB | 00m00s [161/177] libcurl-0:8.17.0~rc1-1.fc44.a 100% | 15.5 MiB/s | 397.9 KiB | 00m00s [162/177] libnghttp2-0:1.67.1-1.fc44.aa 100% | 2.8 MiB/s | 72.5 KiB | 00m00s [163/177] selinux-policy-targeted-0:42. 100% | 126.7 MiB/s | 6.6 MiB | 00m00s [164/177] policycoreutils-0:3.9-5.fc44. 100% | 6.5 MiB/s | 191.9 KiB | 00m00s [165/177] selinux-policy-0:42.13-2.fc44 100% | 2.5 MiB/s | 62.1 KiB | 00m00s [166/177] libselinux-utils-0:3.9-5.fc44 100% | 4.1 MiB/s | 113.8 KiB | 00m00s [167/177] rpm-plugin-selinux-0:6.0.0-1. 100% | 817.1 KiB/s | 19.6 KiB | 00m00s [168/177] krb5-libs-0:1.21.3-10.fc44.aa 100% | 23.6 MiB/s | 748.9 KiB | 00m00s [169/177] libbrotli-0:1.1.0-10.fc44.aar 100% | 12.3 MiB/s | 341.1 KiB | 00m00s [170/177] libpsl-0:0.21.5-6.fc43.aarch6 100% | 2.5 MiB/s | 65.1 KiB | 00m00s [171/177] libssh-0:0.11.3-1.fc44.aarch6 100% | 8.3 MiB/s | 230.6 KiB | 00m00s [172/177] libssh-config-0:0.11.3-1.fc44 100% | 350.4 KiB/s | 9.1 KiB | 00m00s [173/177] keyutils-libs-0:1.6.3-6.fc43. 100% | 1.2 MiB/s | 31.5 KiB | 00m00s [174/177] libcom_err-0:1.47.3-2.fc43.aa 100% | 1.1 MiB/s | 26.7 KiB | 00m00s [175/177] libverto-0:0.3.2-11.fc43.aarc 100% | 851.2 KiB/s | 20.4 KiB | 00m00s [176/177] publicsuffix-list-dafsa-0:202 100% | 2.4 MiB/s | 59.2 KiB | 00m00s [177/177] libtool-ltdl-0:2.5.4-7.fc43.a 100% | 7.1 KiB/s | 35.6 KiB | 00m05s -------------------------------------------------------------------------------- [177/177] Total 100% | 3.8 MiB/s | 64.3 MiB | 00m17s Running transaction [ 1/179] Verify package files 100% | 694.0 B/s | 177.0 B | 00m00s [ 2/179] Prepare transaction 100% | 2.4 KiB/s | 177.0 B | 00m00s [ 3/179] Installing libgcc-0:15.2.1-2. 100% | 218.6 MiB/s | 223.9 KiB | 00m00s [ 4/179] Installing publicsuffix-list- 100% | 68.2 MiB/s | 69.8 KiB | 00m00s [ 5/179] Installing libssh-config-0:0. 100% | 0.0 B/s | 816.0 B | 00m00s [ 6/179] Installing fedora-release-ide 100% | 0.0 B/s | 920.0 B | 00m00s [ 7/179] Installing fedora-repos-rawhi 100% | 0.0 B/s | 2.4 KiB | 00m00s [ 8/179] Installing fedora-gpg-keys-0: 100% | 29.1 MiB/s | 179.0 KiB | 00m00s [ 9/179] Installing fedora-repos-0:44- 100% | 0.0 B/s | 5.7 KiB | 00m00s [ 10/179] Installing fedora-release-com 100% | 24.3 MiB/s | 24.9 KiB | 00m00s [ 11/179] Installing fedora-release-0:4 100% | 11.0 KiB/s | 124.0 B | 00m00s >>> Running sysusers scriptlet: setup-0:2.15.0-26.fc43.noarch >>> Finished sysusers scriptlet: setup-0:2.15.0-26.fc43.noarch >>> Scriptlet output: >>> Creating group 'adm' with GID 4. >>> Creating group 'audio' with GID 63. >>> Creating group 'cdrom' with GID 11. >>> Creating group 'clock' with GID 103. >>> Creating group 'dialout' with GID 18. >>> Creating group 'disk' with GID 6. >>> Creating group 'floppy' with GID 19. >>> Creating group 'ftp' with GID 50. >>> Creating group 'games' with GID 20. >>> Creating group 'input' with GID 104. >>> Creating group 'kmem' with GID 9. >>> Creating group 'kvm' with GID 36. >>> Creating group 'lock' with GID 54. >>> Creating group 'lp' with GID 7. >>> Creating group 'mail' with GID 12. >>> Creating group 'man' with GID 15. >>> Creating group 'mem' with GID 8. >>> Creating group 'nobody' with GID 65534. >>> Creating group 'render' with GID 105. >>> Creating group 'root' with GID 0. >>> Creating group 'sgx' with GID 106. >>> Creating group 'sys' with GID 3. >>> Creating group 'tape' with GID 33. >>> Creating group 'tty' with GID 5. >>> Creating group 'users' with GID 100. >>> Creating group 'utmp' with GID 22. >>> Creating group 'video' with GID 39. >>> Creating group 'wheel' with GID 10. >>> Creating user 'adm' (adm) with UID 3 and GID 4. >>> Creating group 'bin' with GID 1. >>> Creating user 'bin' (bin) with UID 1 and GID 1. >>> Creating group 'daemon' with GID 2. >>> Creating user 'daemon' (daemon) with UID 2 and GID 2. >>> Creating user 'ftp' (FTP User) with UID 14 and GID 50. >>> Creating user 'games' (games) with UID 12 and GID 100. >>> Creating user 'halt' (halt) with UID 7 and GID 0. >>> Creating user 'lp' (lp) with UID 4 and GID 7. >>> Creating user 'mail' (mail) with UID 8 and GID 12. >>> Creating user 'nobody' (Kernel Overflow User) with UID 65534 and GID 65534. >>> Creating user 'operator' (operator) with UID 11 and GID 0. >>> Creating user 'root' (Super User) with UID 0 and GID 0. >>> Creating user 'shutdown' (shutdown) with UID 6 and GID 0. >>> Creating user 'sync' (sync) with UID 5 and GID 0. >>> [ 12/179] Installing setup-0:2.15.0-26. 100% | 39.6 MiB/s | 730.6 KiB | 00m00s >>> [RPM] /etc/hosts created as /etc/hosts.rpmnew [ 13/179] Installing filesystem-0:3.18- 100% | 1.6 MiB/s | 212.8 KiB | 00m00s [ 14/179] Installing gnulib-l10n-0:2024 100% | 129.3 MiB/s | 661.9 KiB | 00m00s [ 15/179] Installing coreutils-common-0 100% | 279.4 MiB/s | 11.2 MiB | 00m00s [ 16/179] Installing pcre2-syntax-0:10. 100% | 271.2 MiB/s | 277.8 KiB | 00m00s [ 17/179] Installing rust-srpm-macros-0 100% | 0.0 B/s | 5.6 KiB | 00m00s [ 18/179] Installing qt6-srpm-macros-0: 100% | 0.0 B/s | 740.0 B | 00m00s [ 19/179] Installing qt5-srpm-macros-0: 100% | 0.0 B/s | 776.0 B | 00m00s [ 20/179] Installing perl-srpm-macros-0 100% | 0.0 B/s | 1.1 KiB | 00m00s [ 21/179] Installing package-notes-srpm 100% | 0.0 B/s | 2.0 KiB | 00m00s [ 22/179] Installing openblas-srpm-macr 100% | 0.0 B/s | 392.0 B | 00m00s [ 23/179] Installing ocaml-srpm-macros- 100% | 0.0 B/s | 2.1 KiB | 00m00s [ 24/179] Installing kernel-srpm-macros 100% | 0.0 B/s | 2.3 KiB | 00m00s [ 25/179] Installing gnat-srpm-macros-0 100% | 0.0 B/s | 1.3 KiB | 00m00s [ 26/179] Installing ghc-srpm-macros-0: 100% | 0.0 B/s | 1.0 KiB | 00m00s [ 27/179] Installing fpc-srpm-macros-0: 100% | 0.0 B/s | 420.0 B | 00m00s [ 28/179] Installing ansible-srpm-macro 100% | 0.0 B/s | 36.2 KiB | 00m00s [ 29/179] Installing pkgconf-m4-0:2.3.0 100% | 14.5 MiB/s | 14.8 KiB | 00m00s [ 30/179] Installing ncurses-base-0:6.5 100% | 49.3 MiB/s | 353.5 KiB | 00m00s [ 31/179] Installing glibc-minimal-lang 100% | 0.0 B/s | 124.0 B | 00m00s [ 32/179] Installing ncurses-libs-0:6.5 100% | 207.9 MiB/s | 1.2 MiB | 00m00s [ 33/179] Installing glibc-0:2.42.9000- 100% | 157.0 MiB/s | 6.3 MiB | 00m00s [ 34/179] Installing bash-0:5.3.0-2.fc4 100% | 200.7 MiB/s | 8.4 MiB | 00m00s [ 35/179] Installing glibc-common-0:2.4 100% | 60.3 MiB/s | 1.3 MiB | 00m00s [ 36/179] Installing glibc-gconv-extra- 100% | 327.5 MiB/s | 18.7 MiB | 00m00s [ 37/179] Installing zlib-ng-compat-0:2 100% | 131.1 MiB/s | 134.2 KiB | 00m00s [ 38/179] Installing bzip2-libs-0:1.0.8 100% | 72.0 MiB/s | 73.8 KiB | 00m00s [ 39/179] Installing libgpg-error-0:1.5 100% | 47.8 MiB/s | 978.5 KiB | 00m00s [ 40/179] Installing libstdc++-0:15.2.1 100% | 283.6 MiB/s | 2.8 MiB | 00m00s [ 41/179] Installing libassuan-0:2.5.7- 100% | 212.6 MiB/s | 217.7 KiB | 00m00s [ 42/179] Installing libgcrypt-0:1.11.1 100% | 238.9 MiB/s | 1.2 MiB | 00m00s [ 43/179] Installing libuuid-0:2.41.1-1 100% | 68.8 MiB/s | 70.4 KiB | 00m00s [ 44/179] Installing xz-libs-1:5.8.1-2. 100% | 197.9 MiB/s | 202.6 KiB | 00m00s [ 45/179] Installing readline-0:8.3-2.f 100% | 276.3 MiB/s | 565.9 KiB | 00m00s [ 46/179] Installing gmp-1:6.3.0-4.fc44 100% | 214.9 MiB/s | 660.2 KiB | 00m00s [ 47/179] Installing popt-0:1.19-9.fc43 100% | 37.0 MiB/s | 151.4 KiB | 00m00s [ 48/179] Installing libzstd-0:1.5.7-3. 100% | 280.5 MiB/s | 861.7 KiB | 00m00s [ 49/179] Installing elfutils-libelf-0: 100% | 297.5 MiB/s | 1.2 MiB | 00m00s [ 50/179] Installing npth-0:1.8-3.fc43. 100% | 92.4 MiB/s | 94.6 KiB | 00m00s [ 51/179] Installing libblkid-0:2.41.1- 100% | 142.4 MiB/s | 291.6 KiB | 00m00s [ 52/179] Installing libsepol-0:3.9-2.f 100% | 263.9 MiB/s | 810.8 KiB | 00m00s [ 53/179] Installing libxcrypt-0:4.4.38 100% | 134.4 MiB/s | 275.2 KiB | 00m00s [ 54/179] Installing sqlite-libs-0:3.50 100% | 250.2 MiB/s | 1.5 MiB | 00m00s [ 55/179] Installing gnupg2-gpgconf-0:2 100% | 12.7 MiB/s | 324.0 KiB | 00m00s [ 56/179] Installing crypto-policies-0: 100% | 21.0 MiB/s | 172.0 KiB | 00m00s [ 57/179] Installing libattr-0:2.5.2-6. 100% | 67.8 MiB/s | 69.4 KiB | 00m00s [ 58/179] Installing libacl-0:2.3.2-4.f 100% | 67.2 MiB/s | 68.8 KiB | 00m00s [ 59/179] Installing pcre2-0:10.46-1.fc 100% | 232.7 MiB/s | 715.0 KiB | 00m00s [ 60/179] Installing libselinux-0:3.9-5 100% | 197.6 MiB/s | 202.4 KiB | 00m00s [ 61/179] Installing grep-0:3.12-2.fc43 100% | 45.1 MiB/s | 1.0 MiB | 00m00s [ 62/179] Installing sed-0:4.9-5.fc43.a 100% | 41.0 MiB/s | 881.4 KiB | 00m00s [ 63/179] Installing findutils-1:4.10.0 100% | 83.5 MiB/s | 1.9 MiB | 00m00s [ 64/179] Installing libtasn1-0:4.20.0- 100% | 217.0 MiB/s | 222.2 KiB | 00m00s [ 65/179] Installing libunistring-0:1.1 100% | 291.0 MiB/s | 1.7 MiB | 00m00s [ 66/179] Installing libidn2-0:2.3.8-2. 100% | 110.7 MiB/s | 566.7 KiB | 00m00s [ 67/179] Installing xz-1:5.8.1-2.fc43. 100% | 61.5 MiB/s | 1.4 MiB | 00m00s [ 68/179] Installing libmount-0:2.41.1- 100% | 205.7 MiB/s | 421.2 KiB | 00m00s [ 69/179] Installing gnupg2-verify-0:2. 100% | 22.3 MiB/s | 365.8 KiB | 00m00s [ 70/179] Installing dwz-0:0.16-2.fc43. 100% | 19.8 MiB/s | 324.0 KiB | 00m00s [ 71/179] Installing mpfr-0:4.2.2-2.fc4 100% | 246.5 MiB/s | 757.2 KiB | 00m00s [ 72/179] Installing gawk-0:5.3.2-2.fc4 100% | 103.3 MiB/s | 2.6 MiB | 00m00s [ 73/179] Installing libksba-0:1.6.7-4. 100% | 195.8 MiB/s | 401.0 KiB | 00m00s [ 74/179] Installing unzip-0:6.0-68.fc4 100% | 27.2 MiB/s | 473.8 KiB | 00m00s [ 75/179] Installing file-libs-0:5.46-8 100% | 540.0 MiB/s | 11.9 MiB | 00m00s [ 76/179] Installing file-0:5.46-8.fc44 100% | 8.6 MiB/s | 141.7 KiB | 00m00s [ 77/179] Installing diffutils-0:3.12-3 100% | 73.8 MiB/s | 1.6 MiB | 00m00s [ 78/179] Installing libsmartcols-0:2.4 100% | 220.3 MiB/s | 225.5 KiB | 00m00s [ 79/179] Installing libcap-ng-0:0.8.5- 100% | 159.0 MiB/s | 162.8 KiB | 00m00s [ 80/179] Installing audit-libs-0:4.1.2 100% | 239.1 MiB/s | 489.6 KiB | 00m00s [ 81/179] Installing libsemanage-0:3.9- 100% | 176.7 MiB/s | 361.9 KiB | 00m00s [ 82/179] Installing libeconf-0:0.7.9-2 100% | 80.7 MiB/s | 82.6 KiB | 00m00s [ 83/179] Installing pam-libs-0:1.7.1-3 100% | 220.1 MiB/s | 225.4 KiB | 00m00s [ 84/179] Installing libcap-0:2.76-4.fc 100% | 29.5 MiB/s | 514.0 KiB | 00m00s [ 85/179] Installing systemd-libs-0:258 100% | 266.7 MiB/s | 2.4 MiB | 00m00s [ 86/179] Installing lua-libs-0:5.4.8-2 100% | 161.2 MiB/s | 330.0 KiB | 00m00s [ 87/179] Installing json-c-0:0.18-7.fc 100% | 136.7 MiB/s | 139.9 KiB | 00m00s [ 88/179] Installing libffi-0:3.5.2-1.f 100% | 153.6 MiB/s | 157.3 KiB | 00m00s [ 89/179] Installing p11-kit-0:0.25.8-1 100% | 89.7 MiB/s | 2.5 MiB | 00m00s [ 90/179] Installing alternatives-0:1.3 100% | 6.0 MiB/s | 91.8 KiB | 00m00s [ 91/179] Installing p11-kit-trust-0:0. 100% | 19.2 MiB/s | 532.0 KiB | 00m00s [ 92/179] Installing openssl-libs-1:3.5 100% | 285.4 MiB/s | 7.4 MiB | 00m00s [ 93/179] Installing coreutils-0:9.8-3. 100% | 161.3 MiB/s | 8.2 MiB | 00m00s [ 94/179] Installing ca-certificates-0: 100% | 1.5 MiB/s | 2.5 MiB | 00m02s [ 95/179] Installing gzip-0:1.14-1.fc44 100% | 22.8 MiB/s | 443.2 KiB | 00m00s [ 96/179] Installing rpm-sequoia-0:1.9. 100% | 255.9 MiB/s | 2.3 MiB | 00m00s [ 97/179] Installing libfsverity-0:1.6- 100% | 67.8 MiB/s | 69.4 KiB | 00m00s [ 98/179] Installing libevent-0:2.1.12- 100% | 271.3 MiB/s | 1.1 MiB | 00m00s [ 99/179] Installing util-linux-core-0: 100% | 94.8 MiB/s | 2.5 MiB | 00m00s [100/179] Installing libusb1-0:1.0.29-4 100% | 14.7 MiB/s | 180.6 KiB | 00m00s >>> Running sysusers scriptlet: tpm2-tss-0:4.1.3-8.fc43.aarch64 >>> Finished sysusers scriptlet: tpm2-tss-0:4.1.3-8.fc43.aarch64 >>> Scriptlet output: >>> Creating group 'tss' with GID 59. >>> Creating user 'tss' (Account used for TPM access) with UID 59 and GID 59. >>> [101/179] Installing tpm2-tss-0:4.1.3-8 100% | 239.9 MiB/s | 2.2 MiB | 00m00s [102/179] Installing gnupg2-gpg-agent-0 100% | 28.7 MiB/s | 851.2 KiB | 00m00s [103/179] Installing ima-evm-utils-libs 100% | 91.8 MiB/s | 94.0 KiB | 00m00s [104/179] Installing systemd-standalone 100% | 20.1 MiB/s | 330.1 KiB | 00m00s [105/179] Installing rpm-libs-0:6.0.0-1 100% | 243.4 MiB/s | 997.0 KiB | 00m00s [106/179] Installing zip-0:3.0-44.fc43. 100% | 41.6 MiB/s | 766.4 KiB | 00m00s [107/179] Installing gnupg2-keyboxd-0:2 100% | 22.9 MiB/s | 234.6 KiB | 00m00s [108/179] Installing libpsl-0:0.21.5-6. 100% | 130.5 MiB/s | 133.6 KiB | 00m00s [109/179] Installing tar-2:1.35-6.fc43. 100% | 103.6 MiB/s | 3.0 MiB | 00m00s [110/179] Installing linkdupes-0:0.7.2- 100% | 42.4 MiB/s | 780.8 KiB | 00m00s [111/179] Installing libselinux-utils-0 100% | 67.9 MiB/s | 1.4 MiB | 00m00s [112/179] Installing liblastlog2-0:2.41 100% | 13.7 MiB/s | 140.1 KiB | 00m00s [113/179] Installing libfdisk-0:2.41.1- 100% | 136.7 MiB/s | 419.9 KiB | 00m00s [114/179] Installing util-linux-0:2.41. 100% | 114.3 MiB/s | 6.9 MiB | 00m00s [115/179] Installing policycoreutils-0: 100% | 33.3 MiB/s | 1.3 MiB | 00m00s [116/179] Installing selinux-policy-0:4 100% | 930.6 KiB/s | 33.5 KiB | 00m00s [117/179] Installing selinux-policy-tar 100% | 112.9 MiB/s | 14.9 MiB | 00m00s [118/179] Installing zstd-0:1.5.7-3.fc4 100% | 28.2 MiB/s | 577.6 KiB | 00m00s [119/179] Installing nettle-0:3.10.1-2. 100% | 187.6 MiB/s | 768.4 KiB | 00m00s [120/179] Installing gnutls-0:3.8.10-5. 100% | 284.2 MiB/s | 3.7 MiB | 00m00s [121/179] Installing libxml2-0:2.12.10- 100% | 86.0 MiB/s | 1.9 MiB | 00m00s [122/179] Installing bzip2-0:1.0.8-21.f 100% | 10.7 MiB/s | 175.8 KiB | 00m00s [123/179] Installing add-determinism-0: 100% | 90.0 MiB/s | 2.0 MiB | 00m00s [124/179] Installing build-reproducibil 100% | 0.0 B/s | 1.5 KiB | 00m00s [125/179] Installing filesystem-srpm-ma 100% | 38.0 MiB/s | 38.9 KiB | 00m00s [126/179] Installing ed-0:1.22.2-1.fc44 100% | 9.7 MiB/s | 158.3 KiB | 00m00s [127/179] Installing patch-0:2.8-2.fc43 100% | 16.1 MiB/s | 264.1 KiB | 00m00s [128/179] Installing elfutils-default-y 100% | 255.4 KiB/s | 2.0 KiB | 00m00s [129/179] Installing elfutils-libs-0:0. 100% | 182.8 MiB/s | 748.5 KiB | 00m00s [130/179] Installing cpio-0:2.15-6.fc43 100% | 49.8 MiB/s | 1.1 MiB | 00m00s [131/179] Installing libgomp-0:15.2.1-2 100% | 252.9 MiB/s | 518.0 KiB | 00m00s [132/179] Installing libpkgconf-0:2.3.0 100% | 132.0 MiB/s | 135.1 KiB | 00m00s [133/179] Installing pkgconf-0:2.3.0-3. 100% | 7.0 MiB/s | 114.9 KiB | 00m00s [134/179] Installing pkgconf-pkg-config 100% | 118.2 KiB/s | 1.8 KiB | 00m00s [135/179] Installing lz4-libs-0:1.10.0- 100% | 193.9 MiB/s | 198.5 KiB | 00m00s [136/179] Installing libarchive-0:3.8.2 100% | 238.6 MiB/s | 977.1 KiB | 00m00s [137/179] Installing jansson-0:2.14-3.f 100% | 92.3 MiB/s | 94.5 KiB | 00m00s [138/179] Installing libtool-ltdl-0:2.5 100% | 92.9 MiB/s | 95.1 KiB | 00m00s [139/179] Installing gdbm-libs-1:1.23-1 100% | 230.1 MiB/s | 235.6 KiB | 00m00s [140/179] Installing cyrus-sasl-lib-0:2 100% | 100.7 MiB/s | 2.4 MiB | 00m00s [141/179] Installing openldap-0:2.6.10- 100% | 186.9 MiB/s | 765.6 KiB | 00m00s [142/179] Installing gnupg2-dirmngr-0:2 100% | 23.5 MiB/s | 649.1 KiB | 00m00s [143/179] Installing gnupg2-0:2.4.8-4.f 100% | 163.2 MiB/s | 6.5 MiB | 00m00s [144/179] Installing rpm-sign-libs-0:6. 100% | 66.9 MiB/s | 68.5 KiB | 00m00s [145/179] Installing rpm-build-libs-0:6 100% | 129.4 MiB/s | 265.0 KiB | 00m00s [146/179] Installing gpgverify-0:2.2-3. 100% | 0.0 B/s | 9.4 KiB | 00m00s [147/179] Installing xxhash-libs-0:0.8. 100% | 85.3 MiB/s | 87.4 KiB | 00m00s [148/179] Installing libnghttp2-0:1.67. 100% | 194.4 MiB/s | 199.1 KiB | 00m00s [149/179] Installing libbrotli-0:1.1.0- 100% | 222.6 MiB/s | 911.8 KiB | 00m00s [150/179] Installing keyutils-libs-0:1. 100% | 97.4 MiB/s | 99.8 KiB | 00m00s [151/179] Installing libcom_err-0:1.47. 100% | 109.5 MiB/s | 112.2 KiB | 00m00s [152/179] Installing libverto-0:0.3.2-1 100% | 69.5 MiB/s | 71.2 KiB | 00m00s [153/179] Installing krb5-libs-0:1.21.3 100% | 230.2 MiB/s | 2.5 MiB | 00m00s [154/179] Installing libssh-0:0.11.3-1. 100% | 191.8 MiB/s | 589.1 KiB | 00m00s [155/179] Installing libcurl-0:8.17.0~r 100% | 223.7 MiB/s | 916.4 KiB | 00m00s [156/179] Installing elfutils-debuginfo 100% | 8.9 MiB/s | 146.2 KiB | 00m00s [157/179] Installing elfutils-0:0.193-3 100% | 128.1 MiB/s | 3.2 MiB | 00m00s [158/179] Installing binutils-0:2.45.50 100% | 271.1 MiB/s | 30.6 MiB | 00m00s [159/179] Installing gdb-minimal-0:16.3 100% | 228.8 MiB/s | 13.0 MiB | 00m00s [160/179] Installing debugedit-0:5.2-3. 100% | 18.5 MiB/s | 321.2 KiB | 00m00s [161/179] Installing curl-0:8.17.0~rc1- 100% | 15.9 MiB/s | 472.9 KiB | 00m00s [162/179] Installing rpm-0:6.0.0-1.fc44 100% | 54.2 MiB/s | 2.8 MiB | 00m00s [163/179] Installing java-srpm-macros-0 100% | 1.1 MiB/s | 1.1 KiB | 00m00s [164/179] Installing efi-srpm-macros-0: 100% | 40.2 MiB/s | 41.1 KiB | 00m00s [165/179] Installing lua-srpm-macros-0: 100% | 0.0 B/s | 1.9 KiB | 00m00s [166/179] Installing tree-sitter-srpm-m 100% | 9.1 MiB/s | 9.3 KiB | 00m00s [167/179] Installing zig-srpm-macros-0: 100% | 0.0 B/s | 1.7 KiB | 00m00s [168/179] Installing gap-srpm-macros-0: 100% | 0.0 B/s | 2.7 KiB | 00m00s [169/179] Installing pyproject-srpm-mac 100% | 2.4 MiB/s | 2.5 KiB | 00m00s [170/179] Installing rpm-build-0:6.0.0- 100% | 29.7 MiB/s | 607.9 KiB | 00m00s [171/179] Installing fonts-srpm-macros- 100% | 55.7 MiB/s | 57.0 KiB | 00m00s [172/179] Installing forge-srpm-macros- 100% | 39.3 MiB/s | 40.3 KiB | 00m00s [173/179] Installing go-srpm-macros-0:3 100% | 61.6 MiB/s | 63.0 KiB | 00m00s [174/179] Installing python-srpm-macros 100% | 51.7 MiB/s | 52.9 KiB | 00m00s [175/179] Installing redhat-rpm-config- 100% | 61.7 MiB/s | 189.5 KiB | 00m00s [176/179] Installing rpm-plugin-selinux 100% | 67.4 MiB/s | 69.0 KiB | 00m00s [177/179] Installing which-0:2.23-3.fc4 100% | 7.7 MiB/s | 125.6 KiB | 00m00s [178/179] Installing shadow-utils-2:4.1 100% | 97.7 MiB/s | 4.5 MiB | 00m00s [179/179] Installing info-0:7.2-6.fc43. 100% | 45.2 KiB/s | 422.0 KiB | 00m09s Warning: skipped OpenPGP checks for 177 packages from repository: http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch Complete! Finish: installing minimal buildroot with dnf5 Start: creating root cache Finish: creating root cache Finish: chroot init INFO: Installed packages: INFO: add-determinism-0.7.2-2.fc44.aarch64 alternatives-1.33-2.fc43.aarch64 ansible-srpm-macros-1-18.1.fc43.noarch audit-libs-4.1.2-2.fc44.aarch64 bash-5.3.0-2.fc43.aarch64 binutils-2.45.50-5.fc44.aarch64 build-reproducibility-srpm-macros-0.7.2-2.fc44.noarch bzip2-1.0.8-21.fc43.aarch64 bzip2-libs-1.0.8-21.fc43.aarch64 ca-certificates-2025.2.80_v9.0.304-2.fc44.noarch coreutils-9.8-3.fc44.aarch64 coreutils-common-9.8-3.fc44.aarch64 cpio-2.15-6.fc43.aarch64 crypto-policies-20250714-5.gitcd6043a.fc44.noarch curl-8.17.0~rc1-1.fc44.aarch64 cyrus-sasl-lib-2.1.28-33.fc44.aarch64 debugedit-5.2-3.fc44.aarch64 diffutils-3.12-3.fc43.aarch64 dwz-0.16-2.fc43.aarch64 ed-1.22.2-1.fc44.aarch64 efi-srpm-macros-6-4.fc43.noarch elfutils-0.193-3.fc43.aarch64 elfutils-debuginfod-client-0.193-3.fc43.aarch64 elfutils-default-yama-scope-0.193-3.fc43.noarch elfutils-libelf-0.193-3.fc43.aarch64 elfutils-libs-0.193-3.fc43.aarch64 fedora-gpg-keys-44-0.1.noarch fedora-release-44-0.5.noarch fedora-release-common-44-0.5.noarch fedora-release-identity-basic-44-0.5.noarch fedora-repos-44-0.1.noarch fedora-repos-rawhide-44-0.1.noarch file-5.46-8.fc44.aarch64 file-libs-5.46-8.fc44.aarch64 filesystem-3.18-50.fc43.aarch64 filesystem-srpm-macros-3.18-50.fc43.noarch findutils-4.10.0-6.fc43.aarch64 fonts-srpm-macros-5.0.0-1.fc44.noarch forge-srpm-macros-0.4.0-3.fc43.noarch fpc-srpm-macros-1.3-15.fc43.noarch gap-srpm-macros-2-1.fc44.noarch gawk-5.3.2-2.fc43.aarch64 gdb-minimal-16.3-6.fc44.aarch64 gdbm-libs-1.23-10.fc43.aarch64 ghc-srpm-macros-1.9.2-3.fc43.noarch glibc-2.42.9000-7.fc44.aarch64 glibc-common-2.42.9000-7.fc44.aarch64 glibc-gconv-extra-2.42.9000-7.fc44.aarch64 glibc-minimal-langpack-2.42.9000-7.fc44.aarch64 gmp-6.3.0-4.fc44.aarch64 gnat-srpm-macros-6-8.fc43.noarch gnulib-l10n-20241231-1.fc44.noarch gnupg2-2.4.8-4.fc43.aarch64 gnupg2-dirmngr-2.4.8-4.fc43.aarch64 gnupg2-gpg-agent-2.4.8-4.fc43.aarch64 gnupg2-gpgconf-2.4.8-4.fc43.aarch64 gnupg2-keyboxd-2.4.8-4.fc43.aarch64 gnupg2-verify-2.4.8-4.fc43.aarch64 gnutls-3.8.10-5.fc44.aarch64 go-srpm-macros-3.8.0-1.fc44.noarch gpgverify-2.2-3.fc43.noarch grep-3.12-2.fc43.aarch64 gzip-1.14-1.fc44.aarch64 ima-evm-utils-libs-1.6.2-6.fc43.aarch64 info-7.2-6.fc43.aarch64 jansson-2.14-3.fc43.aarch64 java-srpm-macros-1-7.fc43.noarch json-c-0.18-7.fc43.aarch64 kernel-srpm-macros-1.0-27.fc43.noarch keyutils-libs-1.6.3-6.fc43.aarch64 krb5-libs-1.21.3-10.fc44.aarch64 libacl-2.3.2-4.fc43.aarch64 libarchive-3.8.2-1.fc44.aarch64 libassuan-2.5.7-4.fc43.aarch64 libattr-2.5.2-6.fc43.aarch64 libblkid-2.41.1-17.fc44.aarch64 libbrotli-1.1.0-10.fc44.aarch64 libcap-2.76-4.fc44.aarch64 libcap-ng-0.8.5-8.fc44.aarch64 libcom_err-1.47.3-2.fc43.aarch64 libcurl-8.17.0~rc1-1.fc44.aarch64 libeconf-0.7.9-2.fc43.aarch64 libevent-2.1.12-16.fc43.aarch64 libfdisk-2.41.1-17.fc44.aarch64 libffi-3.5.2-1.fc44.aarch64 libfsverity-1.6-3.fc43.aarch64 libgcc-15.2.1-2.fc44.aarch64 libgcrypt-1.11.1-2.fc43.aarch64 libgomp-15.2.1-2.fc44.aarch64 libgpg-error-1.56-1.fc44.aarch64 libidn2-2.3.8-2.fc43.aarch64 libksba-1.6.7-4.fc43.aarch64 liblastlog2-2.41.1-17.fc44.aarch64 libmount-2.41.1-17.fc44.aarch64 libnghttp2-1.67.1-1.fc44.aarch64 libpkgconf-2.3.0-3.fc43.aarch64 libpsl-0.21.5-6.fc43.aarch64 libselinux-3.9-5.fc44.aarch64 libselinux-utils-3.9-5.fc44.aarch64 libsemanage-3.9-4.fc44.aarch64 libsepol-3.9-2.fc43.aarch64 libsmartcols-2.41.1-17.fc44.aarch64 libssh-0.11.3-1.fc44.aarch64 libssh-config-0.11.3-1.fc44.noarch libstdc++-15.2.1-2.fc44.aarch64 libtasn1-4.20.0-2.fc43.aarch64 libtool-ltdl-2.5.4-7.fc43.aarch64 libunistring-1.1-10.fc43.aarch64 libusb1-1.0.29-4.fc44.aarch64 libuuid-2.41.1-17.fc44.aarch64 libverto-0.3.2-11.fc43.aarch64 libxcrypt-4.4.38-9.fc44.aarch64 libxml2-2.12.10-5.fc44.aarch64 libzstd-1.5.7-3.fc44.aarch64 linkdupes-0.7.2-2.fc44.aarch64 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zip-3.0-44.fc43.aarch64 zlib-ng-compat-2.2.5-2.fc44.aarch64 zstd-1.5.7-3.fc44.aarch64 Start: buildsrpm Start: rpmbuild -bs Building target platforms: aarch64 Building for target aarch64 setting SOURCE_DATE_EPOCH=1761091200 Wrote: /builddir/build/SRPMS/python-pyscf-2.11.0-1.fc44.src.rpm Finish: rpmbuild -bs INFO: chroot_scan: 1 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-42-aarch64-1761121282.871077/root/var/log/dnf5.log INFO: chroot_scan: creating tarball /var/lib/copr-rpmbuild/results/chroot_scan.tar.gz /bin/tar: Removing leading `/' from member names Finish: buildsrpm INFO: Done(/var/lib/copr-rpmbuild/workspace/workdir-so0syuda/python-pyscf/python-pyscf.spec) Config(child) 0 minutes 52 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-pyscf-2.11.0-1.fc44.src.rpm) Config(fedora-42-aarch64) Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-42-aarch64-bootstrap-1761121282.871077/root. INFO: reusing tmpfs at /var/lib/mock/fedora-42-aarch64-bootstrap-1761121282.871077/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-42-aarch64-1761121282.871077/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-4.20.1-1.fc42.aarch64 rpm-sequoia-1.7.0-5.fc42.aarch64 dnf5-5.2.16.0-1.fc42.aarch64 dnf5-plugins-5.2.16.0-1.fc42.aarch64 Finish: chroot init Start: build phase for python-pyscf-2.11.0-1.fc44.src.rpm Start: build setup for python-pyscf-2.11.0-1.fc44.src.rpm Building target platforms: aarch64 Building for target aarch64 setting SOURCE_DATE_EPOCH=1761091200 Wrote: /builddir/build/SRPMS/python-pyscf-2.11.0-1.fc44.src.rpm Updating and loading repositories: Additional repo http_kojipkgs_fedorapr 100% | 749.0 B/s | 3.8 KiB | 00m05s Copr repository 100% | 299.0 B/s | 1.5 KiB | 00m05s fedora 100% | 3.1 KiB/s | 16.9 KiB | 00m05s updates 100% | 3.1 KiB/s | 16.8 KiB | 00m05s Repositories loaded. 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http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.7 MiB Transaction Summary: Installing: 74 packages Total size of inbound packages is 219 MiB. Need to download 219 MiB. After this operation, 667 MiB extra will be used (install 667 MiB, remove 0 B). [ 1/74] flexiblas-devel-0:3.4.5-5.fc44. 100% | 1.2 MiB/s | 113.3 KiB | 00m00s [ 2/74] libcint-devel-0:6.1.3-1.fc44.aa 100% | 4.5 MiB/s | 209.0 KiB | 00m00s [ 3/74] libxc-devel-0:7.0.0-8.fc44.aarc 100% | 2.4 MiB/s | 58.7 KiB | 00m00s [ 4/74] python3-devel-0:3.14.0-2.fc44.a 100% | 8.2 MiB/s | 386.6 KiB | 00m00s [ 5/74] cmake-0:3.31.6-4.fc43.aarch64 100% | 34.4 MiB/s | 8.5 MiB | 00m00s [ 6/74] python3-h5py-0:3.15.1-2.fc44.aa 100% | 21.4 MiB/s | 1.0 MiB | 00m00s [ 7/74] gcc-c++-0:15.2.1-2.fc44.aarch64 100% | 51.2 MiB/s | 14.0 MiB | 00m00s [ 8/74] python3-pytest-cov-0:5.0.0-5.fc 100% | 1.8 MiB/s | 49.2 KiB | 00m00s [ 9/74] python3-numpy-1:2.3.4-1.fc44.aa 100% | 117.0 MiB/s | 6.6 MiB | 00m00s [10/74] python3-setuptools-0:78.1.1-15. 100% | 49.0 MiB/s | 1.9 MiB | 00m00s [11/74] xcfun-devel-0:2.1.1-20.fc44.aar 100% | 1.4 MiB/s | 37.0 KiB | 00m00s [12/74] cmake-data-0:3.31.6-4.fc43.noar 100% | 37.8 MiB/s | 1.9 MiB | 00m00s [13/74] flexiblas-0:3.4.5-5.fc44.aarch6 100% | 1.1 MiB/s | 26.0 KiB | 00m00s [14/74] flexiblas-netlib-0:3.4.5-5.fc44 100% | 59.4 MiB/s | 2.9 MiB | 00m00s [15/74] flexiblas-netlib64-0:3.4.5-5.fc 100% | 72.9 MiB/s | 2.8 MiB | 00m00s [16/74] gcc-0:15.2.1-2.fc44.aarch64 100% | 190.9 MiB/s | 36.3 MiB | 00m00s [17/74] libstdc++-devel-0:15.2.1-2.fc44 100% | 98.8 MiB/s | 5.0 MiB | 00m00s [18/74] libcint-0:6.1.3-1.fc44.aarch64 100% | 177.0 MiB/s | 26.2 MiB | 00m00s [19/74] libxc-0:7.0.0-8.fc44.aarch64 100% | 192.4 MiB/s | 53.1 MiB | 00m00s [20/74] python3-0:3.14.0-2.fc44.aarch64 100% | 1.2 MiB/s | 27.9 KiB | 00m00s [21/74] python3-libs-0:3.14.0-2.fc44.aa 100% | 142.1 MiB/s | 9.4 MiB | 00m00s [22/74] python3-numpy-f2py-1:2.3.4-1.fc 100% | 18.2 MiB/s | 464.7 KiB | 00m00s [23/74] python3-coverage+toml-0:7.11.0- 100% | 399.8 KiB/s | 9.2 KiB | 00m00s [24/74] python3-coverage-0:7.11.0-3.fc4 100% | 16.3 MiB/s | 416.6 KiB | 00m00s [25/74] python3-pytest-0:8.3.5-10.fc44. 100% | 67.2 MiB/s | 2.1 MiB | 00m00s [26/74] xcfun-0:2.1.1-20.fc44.aarch64 100% | 24.9 MiB/s | 662.5 KiB | 00m00s [27/74] flexiblas-openblas-openmp-0:3.4 100% | 708.9 KiB/s | 16.3 KiB | 00m00s [28/74] flexiblas-openblas-openmp64-0:3 100% | 705.1 KiB/s | 16.2 KiB | 00m00s [29/74] cpp-0:15.2.1-2.fc44.aarch64 100% | 152.5 MiB/s | 11.7 MiB | 00m00s [30/74] python3-iniconfig-0:2.1.0-3.fc4 100% | 994.2 KiB/s | 22.9 KiB | 00m00s [31/74] python3-packaging-0:25.0-7.fc44 100% | 5.9 MiB/s | 151.2 KiB | 00m00s [32/74] python3-pluggy-0:1.6.0-4.fc44.n 100% | 2.2 MiB/s | 56.1 KiB | 00m00s [33/74] python3-six-0:1.17.0-7.fc44.noa 100% | 1.8 MiB/s | 41.8 KiB | 00m00s [34/74] python3-pooch-0:1.8.2-9.fc44.no 100% | 5.2 MiB/s | 127.1 KiB | 00m00s [35/74] python3-cached_property-0:2.0.1 100% | 850.7 KiB/s | 20.4 KiB | 00m00s [36/74] cmake-filesystem-0:3.31.6-4.fc4 100% | 3.1 KiB/s | 15.5 KiB | 00m05s [37/74] python3-requests-0:2.32.5-2.fc4 100% | 3.0 MiB/s | 150.2 KiB | 00m00s [38/74] python3-scipy-0:1.16.2-1.fc44.a 100% | 2.9 MiB/s | 15.1 MiB | 00m05s [39/74] python3-charset-normalizer-0:3. 100% | 4.0 MiB/s | 109.6 KiB | 00m00s [40/74] python3-idna-0:3.11-1.fc44.noar 100% | 4.7 MiB/s | 119.3 KiB | 00m00s [41/74] python3-urllib3-0:2.5.0-3.fc44. 100% | 9.7 MiB/s | 278.6 KiB | 00m00s [42/74] expat-0:2.7.2-1.fc44.aarch64 100% | 4.5 MiB/s | 115.2 KiB | 00m00s [43/74] libgfortran-0:15.2.1-2.fc44.aar 100% | 12.8 MiB/s | 471.8 KiB | 00m00s [44/74] mpdecimal-0:4.0.1-2.fc43.aarch6 100% | 3.9 MiB/s | 95.8 KiB | 00m00s [45/74] python-pip-wheel-0:25.2-4.fc44. 100% | 40.5 MiB/s | 1.1 MiB | 00m00s [46/74] tzdata-0:2025b-3.fc43.noarch 100% | 15.5 MiB/s | 429.3 KiB | 00m00s [47/74] hdf5-0:1.14.6-6.fc43.aarch64 100% | 56.5 MiB/s | 1.8 MiB | 00m00s [48/74] liblzf-0:3.6-33.fc43.aarch64 100% | 1.0 MiB/s | 27.6 KiB | 00m00s [49/74] libaec-0:1.1.4-3.fc44.aarch64 100% | 1.5 MiB/s | 36.8 KiB | 00m00s [50/74] libmpc-0:1.3.1-8.fc43.aarch64 100% | 2.9 MiB/s | 71.1 KiB | 00m00s [51/74] glibc-devel-0:2.42.9000-7.fc44. 100% | 15.1 MiB/s | 494.5 KiB | 00m00s [52/74] libasan-0:15.2.1-2.fc44.aarch64 100% | 15.8 MiB/s | 502.4 KiB | 00m00s [53/74] libatomic-0:15.2.1-2.fc44.aarch 100% | 1.8 MiB/s | 45.1 KiB | 00m00s [54/74] libubsan-0:15.2.1-2.fc44.aarch6 100% | 8.8 MiB/s | 224.7 KiB | 00m00s [55/74] make-1:4.4.1-11.fc43.aarch64 100% | 19.4 MiB/s | 574.9 KiB | 00m00s [56/74] openblas-openmp64-0:0.3.29-2.fc 100% | 89.6 MiB/s | 3.8 MiB | 00m00s [57/74] openblas-0:0.3.29-2.fc43.aarch6 100% | 1.6 MiB/s | 42.2 KiB | 00m00s [58/74] emacs-filesystem-1:30.0-5.fc43. 100% | 288.0 KiB/s | 7.5 KiB | 00m00s [59/74] openblas-openmp-0:0.3.29-2.fc43 100% | 70.4 MiB/s | 3.9 MiB | 00m00s [60/74] vim-filesystem-2:9.1.1863-1.fc4 100% | 618.2 KiB/s | 15.5 KiB | 00m00s [61/74] libuv-1:1.51.0-2.fc43.aarch64 100% | 10.2 MiB/s | 261.8 KiB | 00m00s [62/74] jsoncpp-0:1.9.6-2.fc43.aarch64 100% | 3.5 MiB/s | 92.2 KiB | 00m00s [63/74] rhash-0:1.4.5-3.fc43.aarch64 100% | 7.2 MiB/s | 191.5 KiB | 00m00s [64/74] kernel-headers-0:6.18.0-0.rc2.2 100% | 46.2 MiB/s | 1.5 MiB | 00m00s [65/74] libxcrypt-devel-0:4.4.38-9.fc44 100% | 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vim-filesystem-2:9.1 100% | 4.6 MiB/s | 4.7 KiB | 00m00s [29/76] Installing emacs-filesystem-1:3 100% | 0.0 B/s | 544.0 B | 00m00s [30/76] Installing libubsan-0:15.2.1-2. 100% | 232.6 MiB/s | 476.3 KiB | 00m00s [31/76] Installing libatomic-0:15.2.1-2 100% | 68.0 MiB/s | 69.6 KiB | 00m00s [32/76] Installing libasan-0:15.2.1-2.f 100% | 308.1 MiB/s | 1.5 MiB | 00m00s [33/76] Installing gcc-0:15.2.1-2.fc44. 100% | 317.9 MiB/s | 99.5 MiB | 00m00s [34/76] Installing libaec-0:1.1.4-3.fc4 100% | 76.6 MiB/s | 156.8 KiB | 00m00s [35/76] Installing hdf5-0:1.14.6-6.fc43 100% | 175.2 MiB/s | 7.0 MiB | 00m00s [36/76] Installing liblzf-0:3.6-33.fc43 100% | 8.0 MiB/s | 155.9 KiB | 00m00s [37/76] Installing tzdata-0:2025b-3.fc4 100% | 36.4 MiB/s | 1.9 MiB | 00m00s [38/76] Installing python-pip-wheel-0:2 100% | 589.9 MiB/s | 1.2 MiB | 00m00s [39/76] Installing mpdecimal-0:4.0.1-2. 100% | 55.2 MiB/s | 282.7 KiB | 00m00s [40/76] Installing python3-libs-0:3.14. 100% | 256.0 MiB/s | 45.3 MiB | 00m00s [41/76] Installing python3-0:3.14.0-2.f 100% | 5.0 MiB/s | 86.6 KiB | 00m00s [42/76] Installing python3-numpy-f2py-1 100% | 62.0 MiB/s | 2.2 MiB | 00m00s [43/76] Installing python3-numpy-1:2.3. 100% | 244.9 MiB/s | 35.5 MiB | 00m00s [44/76] Installing python3-packaging-0: 100% | 151.3 MiB/s | 619.9 KiB | 00m00s [45/76] Installing python3-idna-0:3.11- 100% | 242.5 MiB/s | 744.9 KiB | 00m00s [46/76] Installing cmake-rpm-macros-0:3 100% | 1.4 MiB/s | 8.3 KiB | 00m00s [47/76] Installing cmake-data-0:3.31.6- 100% | 68.7 MiB/s | 9.1 MiB | 00m00s [48/76] Installing cmake-0:3.31.6-4.fc4 100% | 296.7 MiB/s | 29.7 MiB | 00m00s [49/76] Installing python3-urllib3-0:2. 100% | 158.7 MiB/s | 1.1 MiB | 00m00s [50/76] Installing python3-rpm-generato 100% | 40.5 MiB/s | 82.9 KiB | 00m00s [51/76] Installing python3-setuptools-0 100% | 167.6 MiB/s | 9.2 MiB | 00m00s [52/76] Installing python3-coverage-0:7 100% | 80.1 MiB/s | 2.1 MiB | 00m00s [53/76] Installing python3-coverage+tom 100% | 0.0 B/s | 124.0 B | 00m00s [54/76] Installing python3-iniconfig-0: 100% | 22.7 MiB/s | 46.5 KiB | 00m00s [55/76] Installing python3-pluggy-0:1.6 100% | 53.1 MiB/s | 217.5 KiB | 00m00s [56/76] Installing python3-pytest-0:8.3 100% | 265.8 MiB/s | 21.8 MiB | 00m00s [57/76] Installing python3-six-0:1.17.0 100% | 117.5 MiB/s | 120.3 KiB | 00m00s [58/76] Installing python3-cached_prope 100% | 37.3 MiB/s | 38.2 KiB | 00m00s [59/76] Installing python3-platformdirs 100% | 92.2 MiB/s | 188.8 KiB | 00m00s [60/76] Installing python3-charset-norm 100% | 18.8 MiB/s | 366.4 KiB | 00m00s [61/76] Installing python3-requests-0:2 100% | 119.4 MiB/s | 488.9 KiB | 00m00s [62/76] Installing python3-pooch-0:1.8. 100% | 127.0 MiB/s | 650.4 KiB | 00m00s [63/76] Installing xcfun-0:2.1.1-20.fc4 100% | 287.9 MiB/s | 1.7 MiB | 00m00s [64/76] Installing libcint-0:6.1.3-1.fc 100% | 412.1 MiB/s | 29.3 MiB | 00m00s [65/76] Installing libstdc++-devel-0:15 100% | 369.2 MiB/s | 36.6 MiB | 00m00s [66/76] Installing gcc-c++-0:15.2.1-2.f 100% | 277.6 MiB/s | 38.9 MiB | 00m00s [67/76] Installing libcint-devel-0:6.1. 100% | 247.4 MiB/s | 253.4 KiB | 00m00s [68/76] Installing xcfun-devel-0:2.1.1- 100% | 20.0 MiB/s | 122.9 KiB | 00m00s [69/76] Installing python3-scipy-0:1.16 100% | 275.7 MiB/s | 65.9 MiB | 00m00s [70/76] Installing python3-h5py-0:3.15. 100% | 272.9 MiB/s | 4.9 MiB | 00m00s [71/76] Installing python3-pytest-cov-0 100% | 56.0 MiB/s | 171.9 KiB | 00m00s [72/76] Installing python3-devel-0:3.14 100% | 68.6 MiB/s | 2.0 MiB | 00m00s [73/76] Installing libxc-devel-0:7.0.0- 100% | 68.0 MiB/s | 139.2 KiB | 00m00s [74/76] Installing gcc-plugin-annobin-0 100% | 4.3 MiB/s | 70.8 KiB | 00m00s [75/76] Installing annobin-plugin-gcc-0 100% | 49.9 MiB/s | 1.0 MiB | 00m00s [76/76] Installing flexiblas-devel-0:3. 100% | 30.4 MiB/s | 5.0 MiB | 00m00s Warning: skipped OpenPGP checks for 74 packages from repository: http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch Complete! Finish: build setup for python-pyscf-2.11.0-1.fc44.src.rpm Start: rpmbuild python-pyscf-2.11.0-1.fc44.src.rpm Building target platforms: aarch64 Building for target aarch64 setting SOURCE_DATE_EPOCH=1761091200 Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.OUF2No Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.tZeYbd + umask 022 + cd /builddir/build/BUILD/python-pyscf-2.11.0-build + cd /builddir/build/BUILD/python-pyscf-2.11.0-build + rm -rf pyscf-2.11.0 + /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/pyscf-2.11.0.tar.gz + STATUS=0 + '[' 0 -ne 0 ']' + cd pyscf-2.11.0 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + echo 'Patch #1 (pyscf-2.6.0-rpath.patch):' Patch #1 (pyscf-2.6.0-rpath.patch): + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .rpath --fuzz=0 patching file pyscf/lib/CMakeLists.txt Hunk #1 succeeded at 126 (offset 3 lines). Patch #2 (2273.patch): + echo 'Patch #2 (2273.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .2273 --fuzz=0 patching file pyscf/dft/xc_deriv.py Patch #3 (pyscf-2.11.0-segfault.patch): + echo 'Patch #3 (pyscf-2.11.0-segfault.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .segfault --fuzz=0 patching file pyscf/pbc/scf/rsjk.py + find pyscf -name '*.py' -exec sed -i '/#!\/usr\/bin\/env /d' '{}' ';' + find pyscf -name '*.py' -exec sed -i '/#!\/usr\/bin\/python/d' '{}' ';' + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.ZgCWyz + umask 022 + cd /builddir/build/BUILD/python-pyscf-2.11.0-build + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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 pyscf-2.11.0 + cd pyscf/lib + 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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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 + /usr/bin/cmake -S . -B redhat-linux-build -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON -DCMAKE_INSTALL_DO_STRIP:BOOL=OFF -DCMAKE_INSTALL_PREFIX:PATH=/usr -DCMAKE_INSTALL_FULL_SBINDIR:PATH=/usr/bin -DCMAKE_INSTALL_SBINDIR:PATH=bin -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc -DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64 -DBUILD_SHARED_LIBS:BOOL=ON -DENABLE_LIBXC=ON -DBUILD_LIBXC=OFF -DENABLE_XCFUN=ON -DBUILD_XCFUN=OFF -DBUILD_LIBCINT=OFF -DBLA_VENDOR=FlexiBLAS -DCMAKE_SKIP_BUILD_RPATH=1 -- The C compiler identification is GNU 15.2.1 -- The CXX compiler identification is GNU 15.2.1 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/gcc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Performing Test COMPILER_SUPPORTS_SSE3 -- Performing Test COMPILER_SUPPORTS_SSE3 - Failed -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib64/libflexiblas.so -- Looking for ffsll -- Looking for ffsll - found -- BLAS libraries: /usr/lib64/libflexiblas.so -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Configuring done (1.9s) -- Generating done (0.0s) CMake Warning: Manually-specified variables were not used by the project: CMAKE_CXX_FLAGS_RELEASE CMAKE_C_FLAGS_RELEASE CMAKE_Fortran_FLAGS_RELEASE CMAKE_INSTALL_DO_STRIP CMAKE_INSTALL_FULL_SBINDIR CMAKE_INSTALL_SBINDIR INCLUDE_INSTALL_DIR LIB_INSTALL_DIR LIB_SUFFIX SHARE_INSTALL_PREFIX SYSCONF_INSTALL_DIR -- Build files have been written to: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build + /usr/bin/cmake --build redhat-linux-build -j4 --verbose Change Dir: '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' Run Build Command(s): /usr/bin/cmake -E env VERBOSE=1 /usr/bin/gmake -f Makefile -j4 /usr/bin/cmake -S/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -B/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/CMakeFiles /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build//CMakeFiles/progress.marks /usr/bin/gmake -f CMakeFiles/Makefile2 all gmake[1]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' /usr/bin/gmake -f np_helper/CMakeFiles/np_helper.dir/build.make np_helper/CMakeFiles/np_helper.dir/depend /usr/bin/gmake -f dft/CMakeFiles/xc_itrf.dir/build.make dft/CMakeFiles/xc_itrf.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper/CMakeFiles/np_helper.dir/DependInfo.cmake "--color=" gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft/CMakeFiles/xc_itrf.dir/DependInfo.cmake "--color=" /usr/bin/gmake -f dft/CMakeFiles/xcfun_itrf.dir/build.make dft/CMakeFiles/xcfun_itrf.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft/CMakeFiles/xcfun_itrf.dir/DependInfo.cmake "--color=" gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' /usr/bin/gmake -f np_helper/CMakeFiles/np_helper.dir/build.make np_helper/CMakeFiles/np_helper.dir/build gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' /usr/bin/gmake -f dft/CMakeFiles/xcfun_itrf.dir/build.make dft/CMakeFiles/xcfun_itrf.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' /usr/bin/gmake -f dft/CMakeFiles/xc_itrf.dir/build.make dft/CMakeFiles/xc_itrf.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 0%] Building C object np_helper/CMakeFiles/np_helper.dir/transpose.c.o [ 1%] Building C object dft/CMakeFiles/xcfun_itrf.dir/xcfun_itrf.c.o [ 2%] Building C object np_helper/CMakeFiles/np_helper.dir/pack_tril.c.o [ 3%] Building C object dft/CMakeFiles/xc_itrf.dir/libxc_itrf.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Dxcfun_itrf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/xcfun_itrf.dir/xcfun_itrf.c.o -MF CMakeFiles/xcfun_itrf.dir/xcfun_itrf.c.o.d -o CMakeFiles/xcfun_itrf.dir/xcfun_itrf.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/xcfun_itrf.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper && /usr/bin/gcc -Dnp_helper_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT np_helper/CMakeFiles/np_helper.dir/transpose.c.o -MF CMakeFiles/np_helper.dir/transpose.c.o.d -o CMakeFiles/np_helper.dir/transpose.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper/transpose.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Dxc_itrf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/xc_itrf.dir/libxc_itrf.c.o -MF CMakeFiles/xc_itrf.dir/libxc_itrf.c.o.d -o CMakeFiles/xc_itrf.dir/libxc_itrf.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/libxc_itrf.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper && /usr/bin/gcc -Dnp_helper_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT np_helper/CMakeFiles/np_helper.dir/pack_tril.c.o -MF CMakeFiles/np_helper.dir/pack_tril.c.o.d -o CMakeFiles/np_helper.dir/pack_tril.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper/pack_tril.c [ 4%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libxcfun_itrf.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/cmake -E cmake_link_script CMakeFiles/xcfun_itrf.dir/link.txt --verbose=1 [ 5%] Building C object np_helper/CMakeFiles/np_helper.dir/npdot.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper && /usr/bin/gcc -Dnp_helper_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT np_helper/CMakeFiles/np_helper.dir/npdot.c.o -MF CMakeFiles/np_helper.dir/npdot.c.o.d -o CMakeFiles/np_helper.dir/npdot.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper/npdot.c [ 6%] Building C object np_helper/CMakeFiles/np_helper.dir/condense.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper && /usr/bin/gcc -Dnp_helper_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT np_helper/CMakeFiles/np_helper.dir/condense.c.o -MF CMakeFiles/np_helper.dir/condense.c.o.d -o CMakeFiles/np_helper.dir/condense.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper/condense.c /usr/bin/gcc -fPIC -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/xcfun_itrf.dir/link.d -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libxcfun_itrf.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libxcfun_itrf.so CMakeFiles/xcfun_itrf.dir/xcfun_itrf.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 -lxcfun /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 6%] Built target xcfun_itrf [ 7%] Building C object np_helper/CMakeFiles/np_helper.dir/omp_reduce.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper && /usr/bin/gcc -Dnp_helper_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT np_helper/CMakeFiles/np_helper.dir/omp_reduce.c.o -MF CMakeFiles/np_helper.dir/omp_reduce.c.o.d -o CMakeFiles/np_helper.dir/omp_reduce.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper/omp_reduce.c [ 8%] Building C object np_helper/CMakeFiles/np_helper.dir/np_helper.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper && /usr/bin/gcc -Dnp_helper_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer 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-specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT np_helper/CMakeFiles/np_helper.dir/np_broadcast.c.o -MF CMakeFiles/np_helper.dir/np_broadcast.c.o.d -o CMakeFiles/np_helper.dir/np_broadcast.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper/np_broadcast.c [ 12%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/np_helper && /usr/bin/cmake -E cmake_link_script CMakeFiles/np_helper.dir/link.txt --verbose=1 /usr/bin/gcc -fPIC -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/xc_itrf.dir/link.d -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libxc_itrf.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libxc_itrf.so CMakeFiles/xc_itrf.dir/libxc_itrf.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 -lxc /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 12%] Built target xc_itrf /usr/bin/gcc -fPIC -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/np_helper.dir/link.d -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libnp_helper.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so CMakeFiles/np_helper.dir/transpose.c.o CMakeFiles/np_helper.dir/pack_tril.c.o CMakeFiles/np_helper.dir/npdot.c.o CMakeFiles/np_helper.dir/condense.c.o CMakeFiles/np_helper.dir/omp_reduce.c.o CMakeFiles/np_helper.dir/np_helper.c.o CMakeFiles/np_helper.dir/imatcopy.c.o CMakeFiles/np_helper.dir/np_broadcast.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 /usr/lib64/libflexiblas.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 12%] Built target np_helper /usr/bin/gmake -f gto/CMakeFiles/cgto.dir/build.make gto/CMakeFiles/cgto.dir/depend /usr/bin/gmake -f mcscf/CMakeFiles/fci.dir/build.make mcscf/CMakeFiles/fci.dir/depend /usr/bin/gmake -f mp/CMakeFiles/mp.dir/build.make mp/CMakeFiles/mp.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto/CMakeFiles/cgto.dir/DependInfo.cmake "--color=" gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mcscf /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf/CMakeFiles/fci.dir/DependInfo.cmake "--color=" gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mp /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mp/CMakeFiles/mp.dir/DependInfo.cmake "--color=" gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' /usr/bin/gmake -f mp/CMakeFiles/mp.dir/build.make mp/CMakeFiles/mp.dir/build /usr/bin/gmake -f gto/CMakeFiles/cgto.dir/build.make gto/CMakeFiles/cgto.dir/build /usr/bin/gmake -f mcscf/CMakeFiles/fci.dir/build.make mcscf/CMakeFiles/fci.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 15%] Building C object mp/CMakeFiles/mp.dir/mp2.c.o [ 15%] Building C object gto/CMakeFiles/cgto.dir/fill_int2c.c.o [ 15%] Building C object mcscf/CMakeFiles/fci.dir/fci_contract.c.o [ 16%] Building C object mcscf/CMakeFiles/fci.dir/fci_contract_nosym.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto && /usr/bin/gcc -Dcgto_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/fill_int2c.c.o -MF CMakeFiles/cgto.dir/fill_int2c.c.o.d -o CMakeFiles/cgto.dir/fill_int2c.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/fill_int2c.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf && /usr/bin/gcc -Dfci_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mcscf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT mcscf/CMakeFiles/fci.dir/fci_contract.c.o -MF CMakeFiles/fci.dir/fci_contract.c.o.d -o CMakeFiles/fci.dir/fci_contract.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mcscf/fci_contract.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mp && /usr/bin/gcc -Dmp_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mp -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT mp/CMakeFiles/mp.dir/mp2.c.o -MF CMakeFiles/mp.dir/mp2.c.o.d -o CMakeFiles/mp.dir/mp2.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf && /usr/bin/gcc -Dfci_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mcscf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT mcscf/CMakeFiles/fci.dir/fci_contract_nosym.c.o -MF CMakeFiles/fci.dir/fci_contract_nosym.c.o.d -o CMakeFiles/fci.dir/fci_contract_nosym.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mcscf/fci_contract_nosym.c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c: In function ‘MP2_contract_d’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c:163:28: warning: passing argument 1 of ‘NPdcopy’ discards ‘const’ qualifier from pointer target type [-Wdiscarded-qualifiers] 163 | NPdcopy(parr_t2[ii*nocc+jj], tab, nvv); | ~~~~~~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c:23: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper/np_helper.h:70:22: note: expected ‘double *’ but argument is of type ‘const double *’ 70 | void NPdcopy(double *out, const double *in, const size_t n); | ~~~~~~~~^~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c:165:54: warning: passing argument 4 of ‘NPdtranspose’ discards ‘const’ qualifier from pointer target type [-Wdiscarded-qualifiers] 165 | NPdtranspose(nvir, nvir, tab, parr_t2[jj*nocc+ii]); | ~~~~~~~^~~~~~~~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper/np_helper.h:45:52: note: expected ‘double *’ but argument is of type ‘const double *’ 45 | void NPdtranspose(int n, int m, double *a, double *at); | ~~~~~~~~^~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c: In function ‘MP2_OS_contract_d’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c:259:28: warning: passing argument 1 of ‘NPdcopy’ discards ‘const’ qualifier from pointer target type [-Wdiscarded-qualifiers] 259 | NPdcopy(parr_t2[ii*noccb+jj], tab, nvv); | ~~~~~~~^~~~~~~~~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper/np_helper.h:70:22: note: expected ‘double *’ but argument is of type ‘const double *’ 70 | void NPdcopy(double *out, const double *in, const size_t n); | ~~~~~~~~^~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c: In function ‘trisolve_parallel_grp’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c:514:74: warning: passing argument 10 of ‘dtrsm_’ discards ‘const’ qualifier from pointer target type [-Wdiscarded-qualifiers] 514 | dtrsm_(&SIDE, &UPLO, &TRANS, &DIAG, &n, &di, &D1, low, &n, parr_b[i0], &n); | ~~~~~~^~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c:24: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/fblas.h:53:48: note: expected ‘double *’ but argument is of type ‘const double *’ 53 | double *a, const int *lda, double *b, const int *ldb); | ~~~~~~~~^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c:506:14: warning: unused variable ‘bi’ [-Wunused-variable] 506 | double * bi; | ^~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c:505:9: warning: unused variable ‘info’ [-Wunused-variable] 505 | int info; | ^~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mp/mp2.c:504:9: warning: unused variable ‘i’ [-Wunused-variable] 504 | int i; | ^ [ 17%] Building C object mcscf/CMakeFiles/fci.dir/fci_rdm.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf && /usr/bin/gcc -Dfci_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mcscf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT mcscf/CMakeFiles/fci.dir/fci_rdm.c.o -MF CMakeFiles/fci.dir/fci_rdm.c.o.d -o CMakeFiles/fci.dir/fci_rdm.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mcscf/fci_rdm.c [ 18%] Building C object gto/CMakeFiles/cgto.dir/fill_nr_3c.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto && /usr/bin/gcc -Dcgto_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/fill_nr_3c.c.o -MF CMakeFiles/cgto.dir/fill_nr_3c.c.o.d -o CMakeFiles/cgto.dir/fill_nr_3c.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/fill_nr_3c.c [ 19%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libmp.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mp && /usr/bin/cmake -E cmake_link_script CMakeFiles/mp.dir/link.txt --verbose=1 [ 20%] Building C object gto/CMakeFiles/cgto.dir/fill_r_3c.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto && /usr/bin/gcc -Dcgto_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/fill_r_3c.c.o -MF CMakeFiles/cgto.dir/fill_r_3c.c.o.d -o CMakeFiles/cgto.dir/fill_r_3c.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/fill_r_3c.c [ 21%] Building C object gto/CMakeFiles/cgto.dir/fill_int2e.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto && /usr/bin/gcc -Dcgto_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/fill_int2e.c.o -MF CMakeFiles/cgto.dir/fill_int2e.c.o.d -o CMakeFiles/cgto.dir/fill_int2e.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/fill_int2e.c [ 22%] Building C object gto/CMakeFiles/cgto.dir/fill_r_4c.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto && /usr/bin/gcc -Dcgto_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/fill_r_4c.c.o -MF CMakeFiles/cgto.dir/fill_r_4c.c.o.d -o CMakeFiles/cgto.dir/fill_r_4c.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/fill_r_4c.c [ 23%] Building C object mcscf/CMakeFiles/fci.dir/fci_string.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf && /usr/bin/gcc -Dfci_EXPORTS 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/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libmp.so CMakeFiles/mp.dir/mp2.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so /usr/lib64/libflexiblas.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 23%] Built target mp [ 24%] Building C object mcscf/CMakeFiles/fci.dir/fci_4pdm.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf && /usr/bin/gcc -Dfci_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mcscf 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mcscf/CMakeFiles/fci.dir/select_ci.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf && /usr/bin/gcc -Dfci_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mcscf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection 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/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libfci.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/mcscf && /usr/bin/cmake -E cmake_link_script CMakeFiles/fci.dir/link.txt --verbose=1 [ 29%] Building C object gto/CMakeFiles/cgto.dir/fill_grids_int2c.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto && /usr/bin/gcc -Dcgto_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security 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gto/CMakeFiles/cgto.dir/deriv1.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto && /usr/bin/gcc -Dcgto_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer 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-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/deriv2.c.o -MF CMakeFiles/cgto.dir/deriv2.c.o.d -o CMakeFiles/cgto.dir/deriv2.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/deriv2.c [ 33%] Building C object gto/CMakeFiles/cgto.dir/nr_ecp.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto && /usr/bin/gcc -Dcgto_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib 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-std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/nr_ecp_deriv.c.o -MF CMakeFiles/cgto.dir/nr_ecp_deriv.c.o.d -o CMakeFiles/cgto.dir/nr_ecp_deriv.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/nr_ecp_deriv.c [ 35%] Building C object gto/CMakeFiles/cgto.dir/autocode/auto_eval1.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto && /usr/bin/gcc -Dcgto_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/autocode/auto_eval1.c.o -MF CMakeFiles/cgto.dir/autocode/auto_eval1.c.o.d -o CMakeFiles/cgto.dir/autocode/auto_eval1.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/autocode/auto_eval1.c /usr/bin/gcc -fPIC -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/fci.dir/link.d -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libfci.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libfci.so CMakeFiles/fci.dir/fci_contract.c.o CMakeFiles/fci.dir/fci_contract_nosym.c.o CMakeFiles/fci.dir/fci_rdm.c.o CMakeFiles/fci.dir/fci_string.c.o CMakeFiles/fci.dir/fci_4pdm.c.o CMakeFiles/fci.dir/select_ci.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so /usr/lib64/libflexiblas.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 35%] Built target fci [ 36%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/gto && /usr/bin/cmake -E cmake_link_script CMakeFiles/cgto.dir/link.txt --verbose=1 /usr/bin/gcc -fPIC -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/cgto.dir/link.d -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libcgto.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so CMakeFiles/cgto.dir/fill_int2c.c.o CMakeFiles/cgto.dir/fill_nr_3c.c.o CMakeFiles/cgto.dir/fill_r_3c.c.o CMakeFiles/cgto.dir/fill_int2e.c.o CMakeFiles/cgto.dir/fill_r_4c.c.o CMakeFiles/cgto.dir/ft_ao.c.o CMakeFiles/cgto.dir/ft_ao_deriv.c.o CMakeFiles/cgto.dir/fill_grids_int2c.c.o CMakeFiles/cgto.dir/grid_ao_drv.c.o CMakeFiles/cgto.dir/deriv1.c.o CMakeFiles/cgto.dir/deriv2.c.o CMakeFiles/cgto.dir/nr_ecp.c.o CMakeFiles/cgto.dir/nr_ecp_deriv.c.o CMakeFiles/cgto.dir/autocode/auto_eval1.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 -lcint /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so /usr/lib64/libflexiblas.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 36%] Built target cgto /usr/bin/gmake -f vhf/CMakeFiles/cvhf.dir/build.make vhf/CMakeFiles/cvhf.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf/CMakeFiles/cvhf.dir/DependInfo.cmake "--color=" gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' /usr/bin/gmake -f vhf/CMakeFiles/cvhf.dir/build.make vhf/CMakeFiles/cvhf.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 38%] Building C object vhf/CMakeFiles/cvhf.dir/nr_incore.c.o [ 38%] Building C object vhf/CMakeFiles/cvhf.dir/fill_nr_s8.c.o [ 39%] Building C object vhf/CMakeFiles/cvhf.dir/optimizer.c.o [ 40%] Building C object vhf/CMakeFiles/cvhf.dir/nr_direct.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/fill_nr_s8.c.o -MF CMakeFiles/cvhf.dir/fill_nr_s8.c.o.d -o CMakeFiles/cvhf.dir/fill_nr_s8.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/fill_nr_s8.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/nr_incore.c.o -MF CMakeFiles/cvhf.dir/nr_incore.c.o.d -o CMakeFiles/cvhf.dir/nr_incore.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_incore.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/nr_direct.c.o -MF CMakeFiles/cvhf.dir/nr_direct.c.o.d -o CMakeFiles/cvhf.dir/nr_direct.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/optimizer.c.o -MF CMakeFiles/cvhf.dir/optimizer.c.o.d -o CMakeFiles/cvhf.dir/optimizer.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/optimizer.c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c: In function ‘CVHFdot_nrs2ij’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c:47:19: warning: unused variable ‘jsh1’ [-Wunused-variable] 47 | const int jsh1 = jshls[1]; \ | ^~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c:122:17: note: in expansion of macro ‘DECLARE_ALL’ 122 | DECLARE_ALL; | ^~~~~~~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c: In function ‘CVHFdot_nrs2kl’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c:51:19: warning: unused variable ‘lsh1’ [-Wunused-variable] 51 | const int lsh1 = lshls[1]; \ | ^~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c:144:17: note: in expansion of macro ‘DECLARE_ALL’ 144 | DECLARE_ALL; | ^~~~~~~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c: In function ‘CVHFdot_nrs4’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c:51:19: warning: unused variable ‘lsh1’ [-Wunused-variable] 51 | const int lsh1 = lshls[1]; \ | ^~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c:171:17: note: in expansion of macro ‘DECLARE_ALL’ 171 | DECLARE_ALL; | ^~~~~~~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c:47:19: warning: unused variable ‘jsh1’ [-Wunused-variable] 47 | const int jsh1 = jshls[1]; \ | ^~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c:171:17: note: in expansion of macro ‘DECLARE_ALL’ 171 | DECLARE_ALL; | ^~~~~~~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c: In function ‘CVHFdot_nrs8’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c:49:19: warning: unused variable ‘ksh1’ [-Wunused-variable] 49 | const int ksh1 = kshls[1]; \ | ^~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct.c:215:9: note: in expansion of macro ‘DECLARE_ALL’ 215 | DECLARE_ALL; | ^~~~~~~~~~~ [ 40%] Building C object vhf/CMakeFiles/cvhf.dir/nr_direct_dot.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/nr_direct_dot.c.o -MF CMakeFiles/cvhf.dir/nr_direct_dot.c.o.d -o CMakeFiles/cvhf.dir/nr_direct_dot.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c: In function ‘nrs2ij_lk_s1ij’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:181:13: warning: unused variable ‘dji’ [-Wunused-variable] 181 | int d##i##j = d##i * d##j; \ | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:449:17: note: in expansion of macro ‘LOCATE’ 449 | LOCATE(vji, j, i); | ^~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c: In function ‘nrs2kl_ji_s1kl’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:181:13: warning: unused variable ‘dlk’ [-Wunused-variable] 181 | int d##i##j = d##i * d##j; \ | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:589:17: note: in expansion of macro ‘LOCATE’ 589 | LOCATE(vlk, l, k); | ^~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c: In function ‘nrs4_ji_s1kl’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:181:13: warning: unused variable ‘dlk’ [-Wunused-variable] 181 | int d##i##j = d##i * d##j; \ | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:775:17: note: in expansion of macro ‘LOCATE’ 775 | LOCATE(vlk, l, k); | ^~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c: In function ‘nrs4_lk_s1ij’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:181:13: warning: unused variable ‘dji’ [-Wunused-variable] 181 | int d##i##j = d##i * d##j; \ | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:827:17: note: in expansion of macro ‘LOCATE’ 827 | LOCATE(vji, j, i); | ^~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c: In function ‘nra2ij_lk_s1ij’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:181:13: warning: unused variable ‘dji’ [-Wunused-variable] 181 | int d##i##j = d##i * d##j; \ | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:1724:17: note: in expansion of macro ‘LOCATE’ 1724 | LOCATE(vji, j, i); | ^~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c: In function ‘nra2kl_ji_s1kl’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:181:13: warning: unused variable ‘dlk’ [-Wunused-variable] 181 | int d##i##j = d##i * d##j; \ | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:1857:17: note: in expansion of macro ‘LOCATE’ 1857 | LOCATE(vlk, l, k); | ^~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c: In function ‘nra4ij_ji_s1kl’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:181:13: warning: unused variable ‘dlk’ [-Wunused-variable] 181 | int d##i##j = d##i * d##j; \ | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:2037:17: note: in expansion of macro ‘LOCATE’ 2037 | LOCATE(vlk, l, k); | ^~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c: In function ‘nra4ij_lk_s1ij’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:181:13: warning: unused variable ‘dji’ [-Wunused-variable] 181 | int d##i##j = d##i * d##j; \ | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:2088:17: note: in expansion of macro ‘LOCATE’ 2088 | LOCATE(vji, j, i); | ^~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c: In function ‘nra4kl_ji_s1kl’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:181:13: warning: unused variable ‘dlk’ [-Wunused-variable] 181 | int d##i##j = d##i * d##j; \ | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:2437:17: note: in expansion of macro ‘LOCATE’ 2437 | LOCATE(vlk, l, k); | ^~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c: In function ‘nra4kl_lk_s1ij’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:181:13: warning: unused variable ‘dji’ [-Wunused-variable] 181 | int d##i##j = d##i * d##j; \ | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:2496:17: note: in expansion of macro ‘LOCATE’ 2496 | LOCATE(vji, j, i); | ^~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c: In function ‘nraa4_ji_s1kl’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:181:13: warning: unused variable ‘dlk’ [-Wunused-variable] 181 | int d##i##j = d##i * d##j; \ | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:2840:17: note: in expansion of macro ‘LOCATE’ 2840 | LOCATE(vlk, l, k); | ^~~~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c: In function ‘nraa4_lk_s1ij’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:181:13: warning: unused variable ‘dji’ [-Wunused-variable] 181 | int d##i##j = d##i * d##j; \ | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_direct_dot.c:2891:17: note: in expansion of macro ‘LOCATE’ 2891 | LOCATE(vji, j, i); | ^~~~~~ [ 41%] Building C object vhf/CMakeFiles/cvhf.dir/time_rev.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf 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/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/time_rev.c [ 42%] Building C object vhf/CMakeFiles/cvhf.dir/r_direct_o1.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/r_direct_o1.c.o -MF CMakeFiles/cvhf.dir/r_direct_o1.c.o.d -o CMakeFiles/cvhf.dir/r_direct_o1.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/r_direct_o1.c [ 43%] Building C object vhf/CMakeFiles/cvhf.dir/rkb_screen.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/rkb_screen.c.o -MF CMakeFiles/cvhf.dir/rkb_screen.c.o.d -o CMakeFiles/cvhf.dir/rkb_screen.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/rkb_screen.c [ 44%] Building C object vhf/CMakeFiles/cvhf.dir/r_direct_dot.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/r_direct_dot.c.o -MF CMakeFiles/cvhf.dir/r_direct_dot.c.o.d -o CMakeFiles/cvhf.dir/r_direct_dot.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/r_direct_dot.c [ 45%] Building C object vhf/CMakeFiles/cvhf.dir/rah_direct_dot.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/rah_direct_dot.c.o -MF CMakeFiles/cvhf.dir/rah_direct_dot.c.o.d -o CMakeFiles/cvhf.dir/rah_direct_dot.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/rah_direct_dot.c [ 46%] Building C object vhf/CMakeFiles/cvhf.dir/rha_direct_dot.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/rha_direct_dot.c.o -MF CMakeFiles/cvhf.dir/rha_direct_dot.c.o.d -o CMakeFiles/cvhf.dir/rha_direct_dot.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/rha_direct_dot.c [ 47%] Building C object vhf/CMakeFiles/cvhf.dir/hessian_screen.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/hessian_screen.c.o -MF CMakeFiles/cvhf.dir/hessian_screen.c.o.d -o CMakeFiles/cvhf.dir/hessian_screen.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/hessian_screen.c [ 48%] Building C object vhf/CMakeFiles/cvhf.dir/nr_sgx_direct.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/nr_sgx_direct.c.o -MF CMakeFiles/cvhf.dir/nr_sgx_direct.c.o.d -o CMakeFiles/cvhf.dir/nr_sgx_direct.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_sgx_direct.c [ 49%] Building C object vhf/CMakeFiles/cvhf.dir/nr_sr_vhf.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/gcc -Dcvhf_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/nr_sr_vhf.c.o -MF CMakeFiles/cvhf.dir/nr_sr_vhf.c.o.d -o CMakeFiles/cvhf.dir/nr_sr_vhf.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_sr_vhf.c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_sr_vhf.c: In function ‘CVHFdot_sr_nrs2ij’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_sr_vhf.c:170:13: warning: unused variable ‘jsh1’ [-Wunused-variable] 170 | int jsh1 = jshls[1]; | ^~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_sr_vhf.c: In function ‘CVHFdot_sr_nrs2kl’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_sr_vhf.c:307:13: warning: unused variable ‘lsh1’ [-Wunused-variable] 307 | int lsh1 = lshls[1]; | ^~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_sr_vhf.c: In function ‘CVHFnr_sr_direct_drv’: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_sr_vhf.c:715:13: warning: unused variable ‘nlsh’ [-Wunused-variable] 715 | int nlsh = lsh1 - lsh0; | ^~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_sr_vhf.c:714:13: warning: unused variable ‘nksh’ [-Wunused-variable] 714 | int nksh = ksh1 - ksh0; | ^~~~ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/nr_sr_vhf.c:713:13: warning: unused variable ‘njsh’ [-Wunused-variable] 713 | int njsh = jsh1 - jsh0; | ^~~~ [ 50%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcvhf.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/vhf && /usr/bin/cmake -E cmake_link_script CMakeFiles/cvhf.dir/link.txt --verbose=1 /usr/bin/gcc -fPIC -Wall -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 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CMakeFiles/cvhf.dir/hessian_screen.c.o CMakeFiles/cvhf.dir/nr_sgx_direct.c.o CMakeFiles/cvhf.dir/nr_sr_vhf.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so -lcint /usr/lib64/libflexiblas.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 50%] Built target cvhf /usr/bin/gmake -f ao2mo/CMakeFiles/ao2mo.dir/build.make ao2mo/CMakeFiles/ao2mo.dir/depend /usr/bin/gmake -f pbc/CMakeFiles/pbc.dir/build.make pbc/CMakeFiles/pbc.dir/depend /usr/bin/gmake -f agf2/CMakeFiles/agf2.dir/build.make agf2/CMakeFiles/agf2.dir/depend gmake[2]: Entering directory 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/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc/CMakeFiles/pbc.dir/DependInfo.cmake "--color=" gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/agf2 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build 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directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 51%] Building C object ao2mo/CMakeFiles/ao2mo.dir/restore_eri.c.o [ 51%] Building C object agf2/CMakeFiles/agf2.dir/ragf2.c.o [ 52%] Building C object agf2/CMakeFiles/agf2.dir/uagf2.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ao2mo && /usr/bin/gcc -Dao2mo_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ao2mo -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/ao2mo -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT ao2mo/CMakeFiles/ao2mo.dir/restore_eri.c.o -MF CMakeFiles/ao2mo.dir/restore_eri.c.o.d -o CMakeFiles/ao2mo.dir/restore_eri.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/ao2mo/restore_eri.c [ 53%] Building C object pbc/CMakeFiles/pbc.dir/ft_ao.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/agf2 && /usr/bin/gcc -Dagf2_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/agf2 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/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/agf2/ragf2.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/ft_ao.c.o -MF CMakeFiles/pbc.dir/ft_ao.c.o.d -o CMakeFiles/pbc.dir/ft_ao.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/ft_ao.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/agf2 && /usr/bin/gcc -Dagf2_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/agf2 -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/agf2 -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT agf2/CMakeFiles/agf2.dir/uagf2.c.o -MF CMakeFiles/agf2.dir/uagf2.c.o.d -o CMakeFiles/agf2.dir/uagf2.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/agf2/uagf2.c [ 54%] Building C object ao2mo/CMakeFiles/ao2mo.dir/nr_ao2mo.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ao2mo && /usr/bin/gcc -Dao2mo_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ao2mo -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/ao2mo -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT ao2mo/CMakeFiles/ao2mo.dir/nr_ao2mo.c.o -MF CMakeFiles/ao2mo.dir/nr_ao2mo.c.o.d -o CMakeFiles/ao2mo.dir/nr_ao2mo.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/ao2mo/nr_ao2mo.c [ 55%] Building C object ao2mo/CMakeFiles/ao2mo.dir/nr_incore.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ao2mo && /usr/bin/gcc -Dao2mo_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ao2mo -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/ao2mo -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT ao2mo/CMakeFiles/ao2mo.dir/nr_incore.c.o -MF CMakeFiles/ao2mo.dir/nr_incore.c.o.d -o CMakeFiles/ao2mo.dir/nr_incore.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/ao2mo/nr_incore.c [ 56%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libagf2.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/agf2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/agf2.dir/link.txt --verbose=1 [ 57%] Building C object pbc/CMakeFiles/pbc.dir/fill_ints.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/fill_ints.c.o -MF CMakeFiles/pbc.dir/fill_ints.c.o.d -o CMakeFiles/pbc.dir/fill_ints.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/fill_ints.c /usr/bin/gcc -fPIC -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/agf2.dir/link.d -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libagf2.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libagf2.so CMakeFiles/agf2.dir/ragf2.c.o CMakeFiles/agf2.dir/uagf2.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcvhf.so /usr/lib64/libflexiblas.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a -lcint /usr/lib64/libflexiblas.so gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 57%] Built target agf2 [ 58%] Building C object ao2mo/CMakeFiles/ao2mo.dir/r_ao2mo.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ao2mo && /usr/bin/gcc -Dao2mo_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ao2mo -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/ao2mo -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT ao2mo/CMakeFiles/ao2mo.dir/r_ao2mo.c.o -MF CMakeFiles/ao2mo.dir/r_ao2mo.c.o.d -o CMakeFiles/ao2mo.dir/r_ao2mo.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/ao2mo/r_ao2mo.c [ 59%] Building C object ao2mo/CMakeFiles/ao2mo.dir/nrr_ao2mo.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ao2mo && /usr/bin/gcc -Dao2mo_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ao2mo -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/ao2mo -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection 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-I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/optimizer.c.o -MF CMakeFiles/pbc.dir/optimizer.c.o.d -o CMakeFiles/pbc.dir/optimizer.c.o -c 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-mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/grid_ao.c.o -MF CMakeFiles/pbc.dir/grid_ao.c.o.d -o CMakeFiles/pbc.dir/grid_ao.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/grid_ao.c [ 63%] Building C object pbc/CMakeFiles/pbc.dir/nr_direct.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/nr_direct.c.o -MF CMakeFiles/pbc.dir/nr_direct.c.o.d -o CMakeFiles/pbc.dir/nr_direct.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/nr_direct.c [ 64%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libao2mo.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ao2mo && /usr/bin/cmake -E cmake_link_script CMakeFiles/ao2mo.dir/link.txt --verbose=1 [ 65%] Building C object pbc/CMakeFiles/pbc.dir/symmetry.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/symmetry.c.o -MF CMakeFiles/pbc.dir/symmetry.c.o.d -o CMakeFiles/pbc.dir/symmetry.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/symmetry.c [ 66%] Building C object pbc/CMakeFiles/pbc.dir/inner_dot.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/inner_dot.c.o -MF CMakeFiles/pbc.dir/inner_dot.c.o.d -o CMakeFiles/pbc.dir/inner_dot.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/inner_dot.c [ 67%] Building C object pbc/CMakeFiles/pbc.dir/cint2e.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/cint2e.c.o -MF CMakeFiles/pbc.dir/cint2e.c.o.d -o CMakeFiles/pbc.dir/cint2e.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/cint2e.c [ 68%] Building C object pbc/CMakeFiles/pbc.dir/cint3c2e.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/cint3c2e.c.o -MF CMakeFiles/pbc.dir/cint3c2e.c.o.d -o CMakeFiles/pbc.dir/cint3c2e.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/cint3c2e.c [ 69%] Building C object pbc/CMakeFiles/pbc.dir/nr_ecp.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/nr_ecp.c.o -MF CMakeFiles/pbc.dir/nr_ecp.c.o.d -o CMakeFiles/pbc.dir/nr_ecp.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/nr_ecp.c [ 70%] Building C object pbc/CMakeFiles/pbc.dir/transform_mo.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/transform_mo.c.o -MF CMakeFiles/pbc.dir/transform_mo.c.o.d -o CMakeFiles/pbc.dir/transform_mo.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/transform_mo.c [ 71%] Building C object pbc/CMakeFiles/pbc.dir/neighbor_list.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/neighbor_list.c.o -MF CMakeFiles/pbc.dir/neighbor_list.c.o.d -o CMakeFiles/pbc.dir/neighbor_list.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/neighbor_list.c [ 72%] Building C object pbc/CMakeFiles/pbc.dir/cell.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/cell.c.o -MF CMakeFiles/pbc.dir/cell.c.o.d -o CMakeFiles/pbc.dir/cell.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/cell.c [ 73%] Building C object pbc/CMakeFiles/pbc.dir/pp.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/pp.c.o -MF CMakeFiles/pbc.dir/pp.c.o.d -o CMakeFiles/pbc.dir/pp.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/pp.c [ 74%] Building C object pbc/CMakeFiles/pbc.dir/hf_grad.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && 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CMakeFiles/pbc.dir/hf_grad.c.o.d -o CMakeFiles/pbc.dir/hf_grad.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/hf_grad.c [ 75%] Building C object pbc/CMakeFiles/pbc.dir/fill_ints_screened.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/gcc -Dpbc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/fill_ints_screened.c.o -MF CMakeFiles/pbc.dir/fill_ints_screened.c.o.d -o CMakeFiles/pbc.dir/fill_ints_screened.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/fill_ints_screened.c /usr/bin/gcc -fPIC -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/ao2mo.dir/link.d -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libao2mo.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libao2mo.so CMakeFiles/ao2mo.dir/restore_eri.c.o CMakeFiles/ao2mo.dir/nr_ao2mo.c.o CMakeFiles/ao2mo.dir/nr_incore.c.o CMakeFiles/ao2mo.dir/r_ao2mo.c.o CMakeFiles/ao2mo.dir/nrr_ao2mo.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcvhf.so -lcint /usr/lib64/libflexiblas.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so -lcint /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so /usr/lib64/libflexiblas.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 75%] Built target ao2mo /usr/bin/gmake -f mcscf/CMakeFiles/mcscf.dir/build.make mcscf/CMakeFiles/mcscf.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mcscf /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build 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cc/CMakeFiles/cc.dir/build.make cc/CMakeFiles/cc.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/cc /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/cc /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/cc/CMakeFiles/cc.dir/DependInfo.cmake "--color=" gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' /usr/bin/gmake -f cc/CMakeFiles/cc.dir/build.make cc/CMakeFiles/cc.dir/build gmake[2]: 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-I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT ri/CMakeFiles/ri.dir/r_df_incore.c.o -MF CMakeFiles/ri.dir/r_df_incore.c.o.d -o CMakeFiles/ri.dir/r_df_incore.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/ri/r_df_incore.c [ 79%] Linking C shared library 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/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/cc && /usr/bin/gcc -Dcc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/cc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/cc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG 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-specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libri.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libri.so CMakeFiles/ri.dir/r_df_incore.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 -lcint /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libao2mo.so /usr/lib64/libflexiblas.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcvhf.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so -lcint /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so /usr/lib64/libflexiblas.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 82%] Built target ri [ 83%] Building C object cc/CMakeFiles/cc.dir/ccsd_t_lambda.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/cc && /usr/bin/gcc -Dcc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/cc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/cc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT cc/CMakeFiles/cc.dir/ccsd_t_lambda.c.o -MF CMakeFiles/cc.dir/ccsd_t_lambda.c.o.d -o CMakeFiles/cc.dir/ccsd_t_lambda.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/cc/ccsd_t_lambda.c /usr/bin/gcc -fPIC -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/mcscf.dir/link.d -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libmcscf.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libmcscf.so CMakeFiles/mcscf.dir/nevpt_contract.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libfci.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libao2mo.so /usr/lib64/libflexiblas.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcvhf.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a -lcint /usr/lib64/libflexiblas.so gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 83%] Built target mcscf [ 84%] Building C object cc/CMakeFiles/cc.dir/uccsd_t.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/cc && /usr/bin/gcc -Dcc_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/cc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/cc -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT cc/CMakeFiles/cc.dir/uccsd_t.c.o -MF CMakeFiles/cc.dir/uccsd_t.c.o.d -o CMakeFiles/cc.dir/uccsd_t.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/cc/uccsd_t.c [ 85%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libpbc.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pbc && /usr/bin/cmake -E cmake_link_script CMakeFiles/pbc.dir/link.txt --verbose=1 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/fill_ints_sr.c:36:5: warning: type of ‘GTOmax_cache_size’ does not match original declaration [-Wlto-type-mismatch] 36 | int GTOmax_cache_size(int (*intor)(), int *shls_slice, int ncenter, | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/gto.h:17:8: note: return value type mismatch 17 | size_t GTOmax_cache_size(int (*intor)(), int *shls_slice, int ncenter, | ^ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/gto.h:17:8: note: type ‘size_t’ should match type ‘int’ /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/gto.h:17:8: note: ‘GTOmax_cache_size’ was previously declared here /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/gto.h:17:8: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used [ 86%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcc.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/cc && /usr/bin/cmake -E cmake_link_script CMakeFiles/cc.dir/link.txt --verbose=1 /usr/bin/gcc -fPIC -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/cc.dir/link.d -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libcc.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcc.so CMakeFiles/cc.dir/ccsd_pack.c.o CMakeFiles/cc.dir/ccsd_grad.c.o CMakeFiles/cc.dir/ccsd_t.c.o CMakeFiles/cc.dir/ccsd_t_lambda.c.o CMakeFiles/cc.dir/uccsd_t.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libao2mo.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcvhf.so /usr/lib64/libflexiblas.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a -lcint /usr/lib64/libflexiblas.so gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 86%] Built target cc /usr/bin/gcc -fPIC -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/pbc.dir/link.d -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libpbc.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libpbc.so CMakeFiles/pbc.dir/ft_ao.c.o CMakeFiles/pbc.dir/fill_ints.c.o CMakeFiles/pbc.dir/fill_ints_sr.c.o CMakeFiles/pbc.dir/optimizer.c.o CMakeFiles/pbc.dir/grid_ao.c.o CMakeFiles/pbc.dir/nr_direct.c.o CMakeFiles/pbc.dir/symmetry.c.o CMakeFiles/pbc.dir/inner_dot.c.o CMakeFiles/pbc.dir/cint2e.c.o CMakeFiles/pbc.dir/cint3c2e.c.o CMakeFiles/pbc.dir/nr_ecp.c.o CMakeFiles/pbc.dir/transform_mo.c.o CMakeFiles/pbc.dir/neighbor_list.c.o CMakeFiles/pbc.dir/cell.c.o CMakeFiles/pbc.dir/pp.c.o CMakeFiles/pbc.dir/hf_grad.c.o CMakeFiles/pbc.dir/fill_ints_screened.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 -lcint /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcvhf.so /usr/lib64/libflexiblas.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so -lcint /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so /usr/lib64/libflexiblas.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 86%] Built target pbc /usr/bin/gmake -f dft/CMakeFiles/dft.dir/build.make dft/CMakeFiles/dft.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft/CMakeFiles/dft.dir/DependInfo.cmake "--color=" gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' /usr/bin/gmake -f dft/CMakeFiles/dft.dir/build.make dft/CMakeFiles/dft.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 88%] Building C object dft/CMakeFiles/dft.dir/CxLebedevGrid.c.o [ 88%] Building C object dft/CMakeFiles/dft.dir/grid_basis.c.o [ 89%] Building C object dft/CMakeFiles/dft.dir/nr_numint.c.o [ 90%] Building C object dft/CMakeFiles/dft.dir/r_numint.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Ddft_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/dft.dir/grid_basis.c.o -MF CMakeFiles/dft.dir/grid_basis.c.o.d -o CMakeFiles/dft.dir/grid_basis.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/grid_basis.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Ddft_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/dft.dir/CxLebedevGrid.c.o -MF CMakeFiles/dft.dir/CxLebedevGrid.c.o.d -o CMakeFiles/dft.dir/CxLebedevGrid.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/CxLebedevGrid.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Ddft_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/dft.dir/nr_numint.c.o -MF CMakeFiles/dft.dir/nr_numint.c.o.d -o CMakeFiles/dft.dir/nr_numint.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/nr_numint.c cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Ddft_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/dft.dir/r_numint.c.o -MF CMakeFiles/dft.dir/r_numint.c.o.d -o CMakeFiles/dft.dir/r_numint.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/r_numint.c [ 91%] Building C object dft/CMakeFiles/dft.dir/numint_uniform_grid.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Ddft_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/dft.dir/numint_uniform_grid.c.o -MF CMakeFiles/dft.dir/numint_uniform_grid.c.o.d -o CMakeFiles/dft.dir/numint_uniform_grid.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/numint_uniform_grid.c [ 92%] Building C object dft/CMakeFiles/dft.dir/xc_deriv.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Ddft_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/dft.dir/xc_deriv.c.o -MF CMakeFiles/dft.dir/xc_deriv.c.o.d -o CMakeFiles/dft.dir/xc_deriv.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/xc_deriv.c [ 93%] Building C object dft/CMakeFiles/dft.dir/nr_numint_sparse.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Ddft_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/dft.dir/nr_numint_sparse.c.o -MF CMakeFiles/dft.dir/nr_numint_sparse.c.o.d -o CMakeFiles/dft.dir/nr_numint_sparse.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/nr_numint_sparse.c [ 94%] Building C object dft/CMakeFiles/dft.dir/multigrid.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Ddft_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/dft.dir/multigrid.c.o -MF CMakeFiles/dft.dir/multigrid.c.o.d -o CMakeFiles/dft.dir/multigrid.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/multigrid.c [ 95%] Building C object dft/CMakeFiles/dft.dir/grid_common.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Ddft_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/dft.dir/grid_common.c.o -MF CMakeFiles/dft.dir/grid_common.c.o.d -o CMakeFiles/dft.dir/grid_common.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/grid_common.c In file included from /usr/include/string.h:555, from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/grid_common.c:21: In function ‘memset’, inlined from ‘_orth_components’ at /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/grid_common.c:286:9: /usr/include/bits/string_fortified.h:59:10: warning: ‘memset’ specified bound between 18446744056529682432 and 18446744073709551600 exceeds maximum object size 9223372036854775807 [-Wstringop-overflow=] 59 | return __builtin___memset_chk (__dest, __ch, __len, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 60 | __glibc_objsize0 (__dest)); | ~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 96%] Building C object dft/CMakeFiles/dft.dir/grid_collocate.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Ddft_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/dft.dir/grid_collocate.c.o -MF CMakeFiles/dft.dir/grid_collocate.c.o.d -o CMakeFiles/dft.dir/grid_collocate.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/grid_collocate.c [ 97%] Building C object dft/CMakeFiles/dft.dir/grid_integrate.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/gcc -Ddft_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT dft/CMakeFiles/dft.dir/grid_integrate.c.o -MF CMakeFiles/dft.dir/grid_integrate.c.o.d -o CMakeFiles/dft.dir/grid_integrate.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/grid_integrate.c [ 98%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libdft.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/dft && /usr/bin/cmake -E cmake_link_script CMakeFiles/dft.dir/link.txt --verbose=1 In function ‘memset’, inlined from ‘_orth_components’ at /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/grid_common.c:286:9: /usr/include/bits/string_fortified.h:59:10: warning: ‘__builtin_memset’ specified bound between 18446744056529682432 and 18446744073709551600 exceeds maximum object size 9223372036854775807 [-Wstringop-overflow=] 59 | return __builtin___memset_chk (__dest, __ch, __len, | ^ /usr/bin/gcc -fPIC -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/dft.dir/link.d -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libdft.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libdft.so CMakeFiles/dft.dir/CxLebedevGrid.c.o CMakeFiles/dft.dir/grid_basis.c.o CMakeFiles/dft.dir/nr_numint.c.o CMakeFiles/dft.dir/r_numint.c.o CMakeFiles/dft.dir/numint_uniform_grid.c.o CMakeFiles/dft.dir/xc_deriv.c.o CMakeFiles/dft.dir/nr_numint_sparse.c.o CMakeFiles/dft.dir/multigrid.c.o CMakeFiles/dft.dir/grid_common.c.o CMakeFiles/dft.dir/grid_collocate.c.o CMakeFiles/dft.dir/grid_integrate.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 -lcint /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libpbc.so /usr/lib64/libflexiblas.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcvhf.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so -lcint /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so /usr/lib64/libflexiblas.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 98%] Built target dft /usr/bin/gmake -f pdft/CMakeFiles/pdft.dir/build.make pdft/CMakeFiles/pdft.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pdft /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pdft /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pdft/CMakeFiles/pdft.dir/DependInfo.cmake "--color=" gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' /usr/bin/gmake -f pdft/CMakeFiles/pdft.dir/build.make pdft/CMakeFiles/pdft.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 99%] Building C object pdft/CMakeFiles/pdft.dir/nr_numint.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pdft && /usr/bin/gcc -Dpdft_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pdft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pdft -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/include -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pdft/CMakeFiles/pdft.dir/nr_numint.c.o -MF CMakeFiles/pdft.dir/nr_numint.c.o.d -o CMakeFiles/pdft.dir/nr_numint.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pdft/nr_numint.c [100%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libpdft.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/pdft && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdft.dir/link.txt --verbose=1 /usr/bin/gcc -fPIC -Wall -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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-protection -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/pdft.dir/link.d -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libpdft.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libpdft.so CMakeFiles/pdft.dir/nr_numint.c.o -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib -L/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/deps/lib64 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libdft.so /usr/lib64/libflexiblas.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libpbc.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcvhf.so /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so -lcint /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libnp_helper.so /usr/lib64/libflexiblas.so /usr/lib/gcc/aarch64-redhat-linux/15/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [100%] Built target pdft gmake[1]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' /usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/CMakeFiles 0 + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.578O4d + umask 022 + cd /builddir/build/BUILD/python-pyscf-2.11.0-build + '[' /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT '!=' / ']' + rm -rf /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT ++ dirname /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT + mkdir -p /builddir/build/BUILD/python-pyscf-2.11.0-build + mkdir /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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 pyscf-2.11.0 ++ find pyscf -name '*.py' + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/post_scf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/post_scf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/__config__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/__config__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/__all__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/__all__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/x2c.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/x2c.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/tdscf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/tdscf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/stability.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/stability.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/sfx2c1e_hess.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/sfx2c1e_hess.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/sfx2c1e_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/sfx2c1e_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/sfx2c1e.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/sfx2c1e.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/newton_ah.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/newton_ah.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/dft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/dft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/_response_functions.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/_response_functions.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/test/test_x2c_hess.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/test/test_x2c_hess.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/test/test_x2c_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/test/test_x2c_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/test/test_x2c.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/test/test_x2c.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/test/test_tdscf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/test/test_tdscf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/x2c/test/test_dft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/test/test_dft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/wfn_format.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/wfn_format.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/ring.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/ring.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/qcschema.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/qcschema.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/molden.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/molden.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/mo_mapping.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/mo_mapping.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/finite_diff.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/finite_diff.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/fcidump.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/fcidump.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/dump_mat.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/dump_mat.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/cubegen.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/cubegen.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/chkfile_util.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/chkfile_util.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/chgcar.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/chgcar.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/c60struct.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/c60struct.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/test/test_qcschema.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/test/test_qcschema.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/test/test_molden.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/test/test_molden.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/test/test_mo_mapping.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/test/test_mo_mapping.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/test/test_finite_diff.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/test/test_finite_diff.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/test/test_fcidump.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/test/test_fcidump.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tools/test/test_cubegen.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tools/test/test_cubegen.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/gks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/gks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/ghf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/ghf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/dks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/dks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/dhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/dhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/_lr_eig.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/_lr_eig.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/test/test_tduks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/test/test_tduks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/test/test_tduhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/test/test_tduhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/test/test_tdrks_vv10.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/test/test_tdrks_vv10.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/test/test_tdrks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/test/test_tdrks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/test/test_tdrhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/test/test_tdrhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/test/test_tdgks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/test/test_tdgks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tdscf/test/test_tddks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tdscf/test/test_tddks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/tddft/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/tddft/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/sph.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/sph.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/param.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/param.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/msym.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/msym.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/geom.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/geom.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/cg.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/cg.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/basis.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/basis.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/Dmatrix.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/Dmatrix.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/test/test_sph.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/test/test_sph.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/test/test_geom.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/test/test_geom.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/test/test_basis.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/test/test_basis.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/test/test_addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/test/test_addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/symm/test/test_Dmatrix.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/symm/test/test_Dmatrix.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/soscf/newton_ah.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/soscf/newton_ah.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/soscf/ciah.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/soscf/ciah.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/soscf/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/soscf/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/soscf/test/test_newton_ah.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/soscf/test/test_newton_ah.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/smd_experiment.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/smd_experiment.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/smd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/smd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/pol_embed.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/pol_embed.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/pcm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/pcm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/ddpcm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/ddpcm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/ddcosmo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/ddcosmo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/cosmors.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/cosmors.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/_attach_solvent.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/_attach_solvent.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_smd_hessian.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_smd_hessian.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_smd_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_smd_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_smd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_smd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_pol_embed.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_pol_embed.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_pcm_tdscf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_pcm_tdscf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_pcm_hessian.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_pcm_hessian.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_pcm_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_pcm_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_pcm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_pcm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_ddpcm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_ddpcm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_ddcosmo_tdscf_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_ddcosmo_tdscf_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_ddcosmo_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_ddcosmo_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_ddcosmo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_ddcosmo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/test/test_cosmors.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_cosmors.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/hessian/smd_experiment.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/hessian/smd_experiment.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/hessian/smd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/hessian/smd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/hessian/pcm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/hessian/pcm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/hessian/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/hessian/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/grad/smd_experiment.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/grad/smd_experiment.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/grad/smd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/grad/smd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/grad/pcm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/grad/pcm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/grad/ddcosmo_tdscf_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/grad/ddcosmo_tdscf_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/grad/ddcosmo_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/grad/ddcosmo_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/solvent/grad/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/solvent/grad/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/sgx/sgx_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/sgx/sgx_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/sgx/sgx.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/sgx/sgx.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/sgx/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/sgx/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/sgx/test/test_sgx_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/sgx/test/test_sgx_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/sgx/test/test_sgx.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/sgx/test/test_sgx.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/uhf_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/uhf_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/ucphf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/ucphf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/stability_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/stability_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/stability.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/stability.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/rohf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/rohf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/hf_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/hf_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/hf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/hf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/ghf_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/ghf_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/ghf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/ghf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/dispersion.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/dispersion.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/diis.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/diis.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/dhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/dhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/cphf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/cphf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/chkfile.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/chkfile.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/atom_ks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/atom_ks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/atom_hf_pp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/atom_hf_pp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/atom_hf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/atom_hf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/_vhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/_vhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/_response_functions.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/_response_functions.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_vhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_vhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_stability.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_stability.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_response_function.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_response_function.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_he.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_he.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_h2o_vdz.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_h2o_vdz.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_h2o.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_h2o.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_ghf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_ghf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_diis.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_diis.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_dhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_dhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_bz.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_bz.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/scf/test/test_addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/scf/test/test_addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/qmmm/mm_mole.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/qmmm/mm_mole.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/qmmm/itrf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/qmmm/itrf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/qmmm/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/qmmm/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/qmmm/test/test_itrf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/qmmm/test/test_itrf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/qmmm/test/test_grad_mm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/qmmm/test/test_grad_mm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/qmmm/pbc/mm_mole.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/qmmm/pbc/mm_mole.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/qmmm/pbc/itrf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/qmmm/pbc/itrf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/qmmm/pbc/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/qmmm/pbc/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/qmmm/pbc/test/test_qmmm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/qmmm/pbc/test/test_qmmm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/__all__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/__all__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/x2c/x2c1e.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/x2c/x2c1e.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/x2c/sfx2c1e.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/x2c/sfx2c1e.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/x2c/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/x2c/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/x2c/test/test_x2c.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/x2c/test/test_x2c.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tools/tril.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tools/tril.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tools/pywannier90.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tools/pywannier90.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tools/pyscf_ase.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tools/pyscf_ase.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tools/print_funcs.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tools/print_funcs.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tools/pbc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tools/pbc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tools/make_test_cell.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tools/make_test_cell.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tools/lattice.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tools/lattice.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tools/k2gamma.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tools/k2gamma.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tools/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tools/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tools/test/test_pbc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tools/test/test_pbc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tools/test/test_k2gamma.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tools/test/test_k2gamma.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/kuks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/kuks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/kuhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/kuhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/krks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/krks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/krhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/krhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/test/test_uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/test/test_uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/test/test_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/test/test_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/test/test_rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/test/test_rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/test/test_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/test/test_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/test/test_kuks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/test/test_kuks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/test/test_kuhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/test/test_kuhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/test/test_krks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/test/test_krks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tdscf/test/test_krhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tdscf/test/test_krhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/tddft/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/tddft/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/symm/tables.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/symm/tables.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/symm/symmetry.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/symm/symmetry.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/symm/space_group.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/symm/space_group.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/symm/pyscf_spglib.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/symm/pyscf_spglib.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/symm/group.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/symm/group.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/symm/geom.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/symm/geom.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/symm/basis.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/symm/basis.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/symm/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/symm/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/symm/test/test_spg.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/symm/test/test_spg.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/symm/test/test_basis.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/symm/test/test_basis.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/rsjk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/rsjk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/stability.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/stability.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/scfint.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/scfint.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/rohf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/rohf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/newton_ah.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/newton_ah.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/kuhf_ksymm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/kuhf_ksymm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/kuhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/kuhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/krohf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/krohf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/khf_ksymm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/khf_ksymm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/khf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/khf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/kghf_ksymm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/kghf_ksymm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/kghf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/kghf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/hf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/hf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/ghf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/ghf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/cphf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/cphf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/chkfile.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/chkfile.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/_response_functions.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/_response_functions.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/test/test_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/test/test_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/test/test_stability.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/test/test_stability.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/test/test_scfint.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/test/test_scfint.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/test/test_rsjk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/test/test_rsjk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/test/test_rohf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/test/test_rohf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/test/test_newton.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/test/test_newton.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/test/test_mulliken_meta.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/test/test_mulliken_meta.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/test/test_khf_ksym.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/test/test_khf_ksym.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/test/test_khf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/test/test_khf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/test/test_hf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/test/test_hf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/test/test_band.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/test/test_band.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/scf/test/test_addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/scf/test/test_addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mpitools/mpi_pool.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mpitools/mpi_pool.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mpitools/mpi_load_balancer.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mpitools/mpi_load_balancer.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mpitools/mpi_helper.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mpitools/mpi_helper.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mpitools/mpi_blksize.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mpitools/mpi_blksize.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mpitools/mpi.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mpitools/mpi.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mpitools/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mpitools/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mpicc/mpi_kpoint_helper.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mpicc/mpi_kpoint_helper.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mpicc/kintermediates_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mpicc/kintermediates_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mpicc/kccsd_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mpicc/kccsd_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mpicc/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mpicc/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/mp2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/mp2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/kump2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/kump2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/kmp2_stagger.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/kmp2_stagger.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/kmp2_ksymm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/kmp2_ksymm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/kmp2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/kmp2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/test/test_scs.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/test/test_scs.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/test/test_padding.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/test/test_padding.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/test/test_mask_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/test/test_mask_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/test/test_mask.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/test/test_mask.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/test/test_ksym.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/test/test_ksym.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/test/test_kpoint_stagger.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/test/test_kpoint_stagger.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/test/test_kpoint.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/test/test_kpoint.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/mp/test/test_dm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/mp/test/test_dm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/lib/linalg_helper.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/lib/linalg_helper.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/lib/ktensor.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/lib/ktensor.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/lib/kpts_helper.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/lib/kpts_helper.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/lib/kpts.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/lib/kpts.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/lib/chkfile.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/lib/chkfile.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/lib/arnoldi.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/lib/arnoldi.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/lib/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/lib/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/lib/test/test_kpts_ksymm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/lib/test/test_kpts_ksymm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/lib/test/test_kpts.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/lib/test/test_kpts.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gw/kugw_ac.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gw/kugw_ac.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gw/krgw_cd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gw/krgw_cd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gw/krgw_ac.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gw/krgw_ac.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gw/kgw_slow_supercell.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gw/kgw_slow_supercell.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gw/kgw_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gw/kgw_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gw/gw_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gw/gw_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gw/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gw/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gw/test/test_kugw.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gw/test/test_kugw.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gw/test/test_krgw.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gw/test/test_krgw.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/neighborlist.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/neighborlist.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/ewald_methods.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/ewald_methods.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/eval_gto.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/eval_gto.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/ecp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/ecp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/cell.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/cell.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/_pbcintor.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/_pbcintor.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/test/test_rcut.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/test/test_rcut.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/test/test_cell.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/test/test_cell.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/pseudo/split_GTH_POTENTIALS.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/split_GTH_POTENTIALS.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/pseudo/pp_int.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/pp_int.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/pseudo/pp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/pp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/pseudo/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/pseudo/test/test_pp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/test/test_pp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/basis/split_HFX_BASIS.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/split_HFX_BASIS.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/basis/split_GTH_BASIS_SETS.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/split_GTH_BASIS_SETS.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/basis/split_BASIS_MOLOPT.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/split_BASIS_MOLOPT.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/gto/basis/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/uks_stress.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/uks_stress.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/rks_stress.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/rks_stress.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/kukspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/kukspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/kuks_stress.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/kuks_stress.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/kuks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/kuks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/kuhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/kuhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/krkspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/krkspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/krks_stress.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/krks_stress.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/krks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/krks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/krhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/krhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/test/test_uks_stress.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/test/test_uks_stress.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/test/test_rks_stress.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/test/test_rks_stress.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/test/test_kukspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/test/test_kukspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/test/test_kuks_stress.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/test/test_kuks_stress.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/test/test_kuks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/test/test_kuks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/test/test_kuhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/test/test_kuhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/test/test_krkspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/test/test_krkspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/test/test_krks_stress.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/test/test_krks_stress.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/test/test_krks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/test/test_krks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/grad/test/test_krhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/grad/test/test_krhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/geomopt/geometric_solver.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/geomopt/geometric_solver.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/geomopt/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/geomopt/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/eph/eph_fd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/eph/eph_fd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/eph/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/eph/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/roks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/roks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/numint2c.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/numint2c.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/numint.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/numint.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/kukspu_ksymm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/kukspu_ksymm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/kukspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/kukspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/kuks_ksymm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/kuks_ksymm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/kuks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/kuks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/kroks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/kroks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/krkspu_ksymm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/krkspu_ksymm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/krkspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/krkspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/krks_ksymm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/krks_ksymm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/krks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/krks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/kgks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/kgks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/gks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/gks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/gen_grid.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/gen_grid.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/cdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/cdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_sampling.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_sampling.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_numint.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_numint.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_multigrid2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_multigrid2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_multigrid.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_multigrid.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_kukspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_kukspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_kuks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_kuks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_krkspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_krkspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_krks_ksym.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_krks_ksym.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_krks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_krks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_kgks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_kgks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_gks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_gks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_gen_grid.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_gen_grid.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/test/test_gamma_vs_ks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/test/test_gamma_vs_ks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/multigrid/utils.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/multigrid/utils.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/multigrid/pp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/multigrid/pp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/multigrid/multigrid_pair.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/multigrid/multigrid_pair.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/multigrid/multigrid.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/multigrid/multigrid.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/multigrid/_backend_c.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/multigrid/_backend_c.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/dft/multigrid/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/dft/multigrid/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/rsdf_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/rsdf_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/rsdf_helper.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/rsdf_helper.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/rsdf_builder.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/rsdf_builder.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/rsdf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/rsdf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/outcore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/outcore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/mdf_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/mdf_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/mdf_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/mdf_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/mdf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/mdf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/incore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/incore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/gdf_builder.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/gdf_builder.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/ft_ao.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/ft_ao.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/fft_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/fft_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/fft_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/fft_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/fft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/fft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/df_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/df_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/df_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/df_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/df.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/df.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/aft_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/aft_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/aft_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/aft_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/aft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/aft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_rsdf_scf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_rsdf_scf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_rsdf_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_rsdf_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_rsdf_builder.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_rsdf_builder.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_rsdf_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_rsdf_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_rsdf_1.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_rsdf_1.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_rsdf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_rsdf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_outcore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_outcore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_mdf_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_mdf_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_mdf_builder.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_mdf_builder.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_mdf_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_mdf_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_mdf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_mdf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_incore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_incore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_gdf_builder.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_gdf_builder.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_ft_ao.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_ft_ao.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_fft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_fft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_df_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_df_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_df_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_df_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_df.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_df.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_band.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_band.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_aft_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_aft_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_aft_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_aft_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/df/test/test_aft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/df/test/test_aft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/ci/kcis_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/ci/kcis_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/ci/cisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/ci/cisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/ci/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/ci/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/ci/test/test_cisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/ci/test/test_cisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/ci/test/test_ci.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/ci/test/test_ci.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/kuccsd_rdm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/kuccsd_rdm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/kintermediates_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/kintermediates_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/kintermediates_rhf_ksymm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/kintermediates_rhf_ksymm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/kintermediates_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/kintermediates_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/kintermediates.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/kintermediates.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/kccsd_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/kccsd_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/kccsd_t_rhf_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/kccsd_t_rhf_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/kccsd_t_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/kccsd_t_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/kccsd_t.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/kccsd_t.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/kccsd_rhf_ksymm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/kccsd_rhf_ksymm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/kccsd_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/kccsd_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/kccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/kccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/eom_kccsd_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/eom_kccsd_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/eom_kccsd_rhf_ip.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/eom_kccsd_rhf_ip.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/eom_kccsd_rhf_ea.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/eom_kccsd_rhf_ea.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/eom_kccsd_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/eom_kccsd_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/eom_kccsd_ghf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/eom_kccsd_ghf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/ccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/ccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_rccsd_t_shift.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_rccsd_t_shift.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_kuccsd_supercell_vs_kpts.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_kuccsd_supercell_vs_kpts.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_kuccsd_openshell.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_kuccsd_openshell.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_kuccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_kuccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_krccsd_gamma.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_krccsd_gamma.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_krccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_krccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_kgccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_kgccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_kccsd_ksymm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_kccsd_ksymm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_h_3x3x1.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_h_3x3x1.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_h_2x2x1.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_h_2x2x1.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_eom_kuccsd_diag.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_eom_kuccsd_diag.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_eom_kuccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_eom_kuccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_eom_krccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_eom_krccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_eom_kgccsd_diag.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_eom_kgccsd_diag.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/cc/test/test_eom_kgccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/cc/test/test_eom_kgccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/ao2mo/eris.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/ao2mo/eris.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/ao2mo/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/ao2mo/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/kadc_rhf_ip.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/kadc_rhf_ip.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/kadc_rhf_ea.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/kadc_rhf_ea.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/kadc_rhf_amplitudes.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/kadc_rhf_amplitudes.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/kadc_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/kadc_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/kadc_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/kadc_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/dfadc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/dfadc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/test/test_kadc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/test/test_kadc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/test/test_k_vs_supercell_ip_highcost.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/test/test_k_vs_supercell_ip_highcost.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/test/test_k_vs_supercell_ip.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/test/test_k_vs_supercell_ip.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/test/test_k_vs_supercell_ea_highcost.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/test/test_k_vs_supercell_ea_highcost.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/test/test_k_vs_supercell_ea.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/test/test_k_vs_supercell_ea.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/test/test_k_ip.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/test/test_k_ip.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/test/test_k_ea.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/test/test_k_ea.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/pbc/adc/test/test_ground_state_energy.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/adc/test/test_ground_state_energy.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/nac/sacasscf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/nac/sacasscf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/nac/mspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/nac/mspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/nac/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/nac/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/nac/test/test_sacasscf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/nac/test/test_sacasscf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/nac/test/test_cmspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/nac/test/test_cmspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mrpt/nevpt2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mrpt/nevpt2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mrpt/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mrpt/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mrpt/test/test_nevpt2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mrpt/test/test_nevpt2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/ump2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/ump2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/mp2f12_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/mp2f12_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/mp2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/mp2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/gmp2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/gmp2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/dfump2_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/dfump2_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/dfump2_native.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/dfump2_native.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/dfump2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/dfump2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/dfmp2_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/dfmp2_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/dfmp2_native.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/dfmp2_native.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/dfmp2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/dfmp2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/dfgmp2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/dfgmp2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/test/test_ump2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/test/test_ump2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/test/test_mp2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/test/test_mp2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/test/test_gmp2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/test/test_gmp2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/test/test_f12.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/test/test_f12.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/test/test_dfump2_native.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/test/test_dfump2_native.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/test/test_dfump2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/test/test_dfump2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/test/test_dfmp2_native.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/test/test_dfmp2_native.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mp/test/test_dfmp2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mp/test/test_dfmp2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/md/integrators.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/md/integrators.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/md/distributions.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/md/distributions.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/md/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/md/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/md/test/test_velocverlet.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/md/test/test_velocverlet.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/md/test/test_prop.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/md/test/test_prop.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/md/test/test_distributions.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/md/test/test_distributions.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/md/test/test_NVTBerendson.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/md/test/test_NVTBerendson.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/umc_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/umc_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/umc2step.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/umc2step.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/umc1step.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/umc1step.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/ucasci.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/ucasci.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/newton_casscf_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/newton_casscf_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/newton_casscf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/newton_casscf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/mc_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/mc_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/mc2step.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/mc2step.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/mc1step_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/mc1step_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/mc1step.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/mc1step.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/dmet_cas.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/dmet_cas.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/df.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/df.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/chkfile.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/chkfile.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/casci_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/casci_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/casci.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/casci.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/avas.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/avas.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/apc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/apc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/PiOS.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/PiOS.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_umc1step.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_umc1step.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_ucasci.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_ucasci.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_newton_casscf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_newton_casscf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_n2_df.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_n2_df.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_n2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_n2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_mcao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_mcao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_mc1step.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_mc1step.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_h2o.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_h2o.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_casci.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_casci.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_c2h4.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_c2h4.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_bz_df.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_bz_df.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_bz.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_bz.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_avas.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_avas.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_apc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_apc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcscf/test/test_addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcscf/test/test_addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/xmspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/xmspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/tfnal_derivs.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/tfnal_derivs.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/pdft_veff.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/pdft_veff.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/pdft_feff.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/pdft_feff.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/pdft_eff.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/pdft_eff.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/otpd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/otpd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/otfnal.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/otfnal.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/mspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/mspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/mcpdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/mcpdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/lpdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/lpdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/cmspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/cmspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/chkfile.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/chkfile.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/_libxc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/_libxc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/_dms.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/_dms.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/test/test_xmspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/test/test_xmspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/test/test_spingaps_atoms.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/test/test_spingaps_atoms.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/test/test_pdft_veff.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/test/test_pdft_veff.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/test/test_pdft_feff.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/test/test_pdft_feff.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/test/test_otpd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/test/test_otpd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/test/test_otfnal.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/test/test_otfnal.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/test/test_mspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/test/test_mspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/test/test_mgga.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/test/test_mgga.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/test/test_mcpdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/test/test_mcpdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/test/test_lpdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/test/test_lpdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/test/test_diatomic_energies.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/test/test_diatomic_energies.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/mcpdft/test/test_cmspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/mcpdft/test/test_cmspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/vvo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/vvo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/pipek_jacobi.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/pipek_jacobi.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/pipek.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/pipek.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/orth.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/orth.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/nao.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/nao.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/ibo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/ibo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/iao.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/iao.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/edmiston.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/edmiston.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/cholesky.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/cholesky.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/boys.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/boys.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/test/test_vvo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/test/test_vvo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/test/test_pipek.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/test/test_pipek.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/test/test_orth.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/test/test_orth.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/test/test_nao.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/test/test_nao.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/test/test_localizer.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/test/test_localizer.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/test/test_ibo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/test/test_ibo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/test/test_iao.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/test/test_iao.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lo/test/test_cholesky.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lo/test/test_cholesky.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/scipy_helper.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/scipy_helper.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/parameters.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/parameters.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/numpy_helper.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/numpy_helper.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/misc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/misc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/logger.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/logger.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/linalg_helper.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/linalg_helper.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/exceptions.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/exceptions.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/diis.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/diis.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/chkfile.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/chkfile.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/vhf/test/test_nr_direct.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/vhf/test/test_nr_direct.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/test/test_scipy_helper.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/test/test_scipy_helper.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/test/test_numpy_helper.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/test/test_numpy_helper.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/test/test_numint_uniform_grid.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/test/test_numint_uniform_grid.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/test/test_misc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/test/test_misc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/test/test_linalg_helper.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/test/test_linalg_helper.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/test/test_einsum.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/test/test_einsum.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/test/test_diis.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/test/test_diis.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/test/test_chkfile.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/test/test_chkfile.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/gto/test/test_gridao.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/gto/test/test_gridao.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/gto/test/test_ecp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/gto/test/test_ecp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/dft/test/test_sparse_dot.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/dft/test/test_sparse_dot.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/dft/test/test_libdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/dft/test/test_libdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/lib/ao2mo/test/test_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/ao2mo/test/test_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/thermo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/thermo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/dispersion.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/dispersion.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/test/test_vv10_hessian.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/test/test_vv10_hessian.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/test/test_uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/test/test_uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/test/test_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/test/test_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/test/test_thermo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/test/test_thermo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/test/test_rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/test/test_rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/hessian/test/test_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/hessian/test/test_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gw/urpa.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gw/urpa.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gw/ugw_ac.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gw/ugw_ac.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gw/rpa.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gw/rpa.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gw/gw_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gw/gw_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gw/gw_exact.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gw/gw_exact.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gw/gw_cd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gw/gw_cd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gw/gw_ac.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gw/gw_ac.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gw/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gw/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gw/test/test_ugw.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gw/test/test_ugw.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gw/test/test_gw.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gw/test/test_gw.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/pp_int.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/pp_int.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/moleintor.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/moleintor.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/mole.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/mole.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/ft_ao.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/ft_ao.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/eval_gto.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/eval_gto.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/ecp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/ecp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/cmd_args.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/cmd_args.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/test/test_tao.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/test/test_tao.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/test/test_pp_int.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/test/test_pp_int.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/test/test_moleintor.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/test/test_moleintor.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/test/test_mole.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/test/test_mole.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/test/test_ft_ao.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/test/test_ft_ao.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/test/test_eval_gto.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/test/test_eval_gto.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/test/test_ecp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/test/test_ecp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/test/test_basis_parser.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/test/test_basis_parser.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/parse_nwchem_ecp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/parse_nwchem_ecp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/parse_nwchem.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/parse_nwchem.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/parse_molpro.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/parse_molpro.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/parse_gaussian.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/parse_gaussian.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/parse_cp2k_pp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/parse_cp2k_pp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/parse_cp2k.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/parse_cp2k.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/parse_bfd_pp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/parse_bfd_pp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/minao.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/minao.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/iglo3.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/iglo3.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/faegre_dz.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/faegre_dz.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dzp_dunning.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dzp_dunning.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall_tz.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall_tz.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall_qz.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall_qz.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall_dz.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall_dz.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/bse.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/bse.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_v4z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_v4z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_v3z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_v3z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_v2z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_v2z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_cv4z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_cv4z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_cv3z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_cv3z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_cv2z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_cv2z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_av4z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_av4z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_av3z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_av3z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_av2z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_av2z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_ae4z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_ae4z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_ae3z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_ae3z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_ae2z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_ae2z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_acv4z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_acv4z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_acv3z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_acv3z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_acv2z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_acv2z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_aae4z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_aae4z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_aae3z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_aae3z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_aae2z.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_aae2z.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_4zp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_4zp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_3zp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_3zp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/dyall_2zp.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/dyall_2zp.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/gto/basis/dyall-basis/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dyall-basis/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/ump2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/ump2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/ukspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/ukspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/ucisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/ucisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/uccsd_t.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/uccsd_t.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/uccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/uccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/tduks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/tduks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/tduhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/tduhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/tdrks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/tdrks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/tdrhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/tdrhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/sacasscf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/sacasscf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/roks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/roks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/rohf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/rohf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/rkspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/rkspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/mspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/mspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/mp2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/mp2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/mcpdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/mcpdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/lpdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/lpdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/lagrange.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/lagrange.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/dispersion.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/dispersion.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/dhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/dhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/cmspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/cmspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/cisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/cisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/ccsd_t_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/ccsd_t_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/ccsd_t.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/ccsd_t.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/ccsd_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/ccsd_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/ccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/ccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/casscf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/casscf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/casci.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/casci.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_ump2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_ump2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_ukspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_ukspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_ucisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_ucisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_tduks_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_tduks_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_tduhf_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_tduhf_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_tdrks_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_tdrks_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_tdrhf_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_tdrhf_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_roks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_roks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_rohf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_rohf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_rkspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_rkspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_pdft_h2co_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_pdft_h2co_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_pdft_h2co.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_pdft_h2co.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_pdft_diatomic_gradients.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_pdft_diatomic_gradients.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_mspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_mspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_mp2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_mp2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_metagga_mcpdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_metagga_mcpdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_mcpdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_mcpdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_lpdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_lpdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_hf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_hf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_h2o.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_h2o.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_dhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_dhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_cmspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_cmspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_cisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_cisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_ccsd_t.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_ccsd_t.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_ccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_ccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_casscf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_casscf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/grad/test/test_casci.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/grad/test/test_casci.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/geomopt/geometric_solver.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/geomopt/geometric_solver.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/geomopt/berny_solver.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/geomopt/berny_solver.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/geomopt/addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/geomopt/addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/geomopt/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/geomopt/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/geomopt/test/test_geometric_solver.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/geomopt/test/test_geometric_solver.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/geomopt/test/test_berny_solver.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/geomopt/test/test_berny_solver.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/geomopt/test/test_addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/geomopt/test/test_addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/spin_op.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/spin_op.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/selected_ci_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/selected_ci_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/selected_ci_spin0_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/selected_ci_spin0_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/selected_ci_spin0.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/selected_ci_spin0.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/selected_ci_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/selected_ci_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/selected_ci.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/selected_ci.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/rdm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/rdm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/fci_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/fci_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/fci_dhf_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/fci_dhf_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/direct_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/direct_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/direct_spin1_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/direct_spin1_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/direct_spin1_cyl_sym.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/direct_spin1_cyl_sym.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/direct_spin1.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/direct_spin1.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/direct_spin0_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/direct_spin0_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/direct_spin0.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/direct_spin0.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/direct_nosym.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/direct_nosym.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/direct_ep.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/direct_ep.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/cistring.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/cistring.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_symm_init_guess.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_symm_init_guess.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_spin_op.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_spin_op.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_spin1_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_spin1_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_spin1_cyl_sym.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_spin1_cyl_sym.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_spin1.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_spin1.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_spin0_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_spin0_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_spin0.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_spin0.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_selected_ci.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_selected_ci.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_rdm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_rdm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_ep.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_ep.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_direct_nosym.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_direct_nosym.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_dhf_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_dhf_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_cistring.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_cistring.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/fci/test/test_addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/fci/test/test_addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/eph/uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/eph/uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/eph/uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/eph/uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/eph/rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/eph/rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/eph/rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/eph/rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/eph/eph_fd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/eph/eph_fd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/eph/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/eph/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/eph/test/test_uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/eph/test/test_uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/eph/test/test_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/eph/test/test_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/eph/test/test_rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/eph/test/test_rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/eph/test/test_rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/eph/test/test_rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/xc_deriv.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/xc_deriv.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/xcfun.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/xcfun.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/ukspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/ukspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/uks_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/uks_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/sap_data.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/sap_data.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/sap.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/sap.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/roks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/roks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/rkspu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/rkspu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/rks_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/rks_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/radi.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/radi.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/r_numint.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/r_numint.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/numint2c.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/numint2c.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/numint.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/numint.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/libxc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/libxc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/gks_symm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/gks_symm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/gks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/gks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/gen_grid.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/gen_grid.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/dks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/dks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/dft_parser.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/dft_parser.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/LebedevGrid.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/LebedevGrid.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/xc/utils.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/xc/utils.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/xc/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/xc/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/test/test_xcfun.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/test/test_xcfun.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/test/test_xc_deriv.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/test/test_xc_deriv.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/test/test_r_numint.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/test/test_r_numint.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/test/test_numint2c.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/test/test_numint2c.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/test/test_numint.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/test/test_numint.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/test/test_libxc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/test/test_libxc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/test/test_he.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/test/test_he.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/test/test_h2o.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/test/test_h2o.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/test/test_grids.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/test/test_grids.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/test/test_gks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/test/test_gks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/test/test_dks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/test/test_dks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/dft/test/test_dftu.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/dft/test/test_dftu.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/r_incore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/r_incore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/outcore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/outcore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/incore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/incore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/df_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/df_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/df.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/df.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/autoaux.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/autoaux.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/test/test_outcore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/test/test_outcore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/test/test_incore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/test/test_incore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/test/test_df_jk.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/test/test_df_jk.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/test/test_df_hessian.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/test/test_df_hessian.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/test/test_df_grad.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/test/test_df_grad.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/test/test_df.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/test/test_df.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/test/test_addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/test/test_addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/hessian/uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/hessian/uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/hessian/uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/hessian/uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/hessian/rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/hessian/rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/hessian/rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/hessian/rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/hessian/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/hessian/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/uks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/uks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/sacasscf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/sacasscf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/roks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/roks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/rohf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/rohf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/rks.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/rks.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/rhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/rhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/mspdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/mspdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/mcpdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/mcpdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/lpdft.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/lpdft.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/casscf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/casscf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/casdm2_util.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/casdm2_util.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/df/grad/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/df/grad/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/data/radii.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/data/radii.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/data/nucprop.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/data/nucprop.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/data/nist.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/data/nist.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/data/gyro.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/data/gyro.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/data/elements.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/data/elements.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/data/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/data/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ci/ucisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ci/ucisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ci/gcisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ci/gcisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ci/cisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ci/cisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ci/addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ci/addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ci/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ci/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ci/test/test_ucisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ci/test/test_ucisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ci/test/test_gcisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ci/test/test_gcisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ci/test/test_cisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ci/test/test_cisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/uintermediates_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/uintermediates_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/uintermediates.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/uintermediates.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/uccsd_t_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/uccsd_t_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/uccsd_t_rdm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/uccsd_t_rdm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/uccsd_t_lambda.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/uccsd_t_lambda.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/uccsd_t.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/uccsd_t.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/uccsd_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/uccsd_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/uccsd_rdm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/uccsd_rdm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/uccsd_lambda.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/uccsd_lambda.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/uccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/uccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/rintermediates.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/rintermediates.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/rccsd_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/rccsd_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/rccsd_lambda.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/rccsd_lambda.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/rccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/rccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/qcisd_t_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/qcisd_t_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/qcisd_t.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/qcisd_t.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/qcisd_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/qcisd_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/qcisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/qcisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/momgfccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/momgfccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/gintermediates.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/gintermediates.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/gccsd_t_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/gccsd_t_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/gccsd_t_rdm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/gccsd_t_rdm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/gccsd_t_lambda.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/gccsd_t_lambda.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/gccsd_t.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/gccsd_t.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/gccsd_rdm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/gccsd_rdm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/gccsd_lambda.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/gccsd_lambda.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/gccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/gccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/eom_uccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/eom_uccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/eom_rccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/eom_rccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/eom_gccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/eom_gccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/dfuccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/dfuccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/dfccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/dfccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/ccsd_t_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/ccsd_t_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/ccsd_t_rdm_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/ccsd_t_rdm_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/ccsd_t_rdm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/ccsd_t_rdm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/ccsd_t_lambda_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/ccsd_t_lambda_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/ccsd_t_lambda.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/ccsd_t_lambda.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/ccsd_t.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/ccsd_t.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/ccsd_rdm_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/ccsd_rdm_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/ccsd_rdm.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/ccsd_rdm.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/ccsd_lambda.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/ccsd_lambda.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/ccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/ccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/ccd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/ccd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/bccd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/bccd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/_ccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/_ccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_uccsd_t.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_uccsd_t.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_uccsd_lambda.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_uccsd_lambda.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_uccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_uccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_rccsd_t_lambda.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_rccsd_t_lambda.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_rccsd_lambda.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_rccsd_lambda.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_rccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_rccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_qcisd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_qcisd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_momgfccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_momgfccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_h2o.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_h2o.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_gccsd_t.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_gccsd_t.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_gccsd_lambda.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_gccsd_lambda.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_gccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_gccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_fno_uhf.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_fno_uhf.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_fno.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_fno.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_eom_uccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_eom_uccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_eom_rccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_eom_rccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_eom_gccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_eom_gccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_dfuccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_dfuccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_dfccsd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_dfccsd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_ccsd_t.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_ccsd_t.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_ccsd_lambda.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_ccsd_lambda.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_ccd.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_ccd.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_bz.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_bz.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/cc/test/test_2e.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/cc/test/test_2e.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/semi_incore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/semi_incore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/r_outcore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/r_outcore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/outcore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/outcore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/nrr_outcore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/nrr_outcore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/incore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/incore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/test/test_semi_incore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/test/test_semi_incore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/test/test_r_outcore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/test/test_r_outcore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/test/test_outcore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/test/test_outcore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/test/test_nrr_outcore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/test/test_nrr_outcore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/test/test_init.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/test/test_init.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/test/test_incore.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/test/test_incore.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/test/test_addons.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/test/test_addons.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/ao2mo/test/bz_nr.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/ao2mo/test/bz_nr.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/uagf2_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/uagf2_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/uagf2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/uagf2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/ragf2_slow.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/ragf2_slow.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/ragf2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/ragf2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/mpi_helper.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/mpi_helper.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/dfuagf2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/dfuagf2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/dfragf2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/dfragf2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/chkfile.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/chkfile.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/chempot.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/chempot.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/aux_space.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/aux_space.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/_agf2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/_agf2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/test/test_uagf2_slow_beh.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/test/test_uagf2_slow_beh.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/test/test_uagf2_beh.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/test/test_uagf2_beh.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/test/test_ragf2_slow_h2o.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/test/test_ragf2_slow_h2o.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/test/test_ragf2_h2o.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/test/test_ragf2_h2o.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/test/test_dfuagf2_beh.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/test/test_dfuagf2_beh.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/test/test_dfragf2_h2o.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/test/test_dfragf2_h2o.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/agf2/test/test_c_agf2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/agf2/test/test_c_agf2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/uadc_ip_cvs.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/uadc_ip_cvs.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/uadc_ip.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/uadc_ip.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/uadc_ee.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/uadc_ee.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/uadc_ea.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/uadc_ea.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/uadc_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/uadc_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/uadc_amplitudes.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/uadc_amplitudes.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/uadc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/uadc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/radc_ip_cvs.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/radc_ip_cvs.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/radc_ip.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/radc_ip.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/radc_ee.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/radc_ee.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/radc_ea.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/radc_ea.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/radc_ao2mo.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/radc_ao2mo.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/radc_amplitudes.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/radc_amplitudes.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/radc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/radc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/dfadc.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/dfadc.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/__init__.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__init__.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ip_outcore_OH.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ip_outcore_OH.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ip_ea_df_OH.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ip_ea_df_OH.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ip_cvs_P.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ip_cvs_P.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ip_cvs_OH.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ip_cvs_OH.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ip_cvs_N2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ip_cvs_N2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ip_P.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ip_P.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ip_OH.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ip_OH.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ip_N2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ip_N2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_rohf_OH.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_rohf_OH.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_rohf_O2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_rohf_O2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_rohf_CN.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_rohf_CN.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_outcore_rohf_OH.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_outcore_rohf_OH.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_outcore_rohf_O2_high_cost.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_outcore_rohf_O2_high_cost.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_outcore_rohf_CN_high_cost.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_outcore_rohf_CN_high_cost.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_outcore_OH.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_outcore_OH.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_outcore_O2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_outcore_O2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_outcore_H2O.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_outcore_H2O.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_outcore_F2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_outcore_F2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_outcore_CN_high_cost.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_outcore_CN_high_cost.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_df_rohf_OH.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_df_rohf_OH.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_df_rohf_O2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_df_rohf_O2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_df_rohf_CN_high_cost.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_df_rohf_CN_high_cost.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_df_OH.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_df_OH.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_df_O2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_df_O2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_df_H2O.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_df_H2O.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_df_F2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_df_F2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_df_CN.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_df_CN.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_OH.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_OH.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_O2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_O2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_H2O.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_H2O.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_F2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_F2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ee_CN.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ee_CN.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ea_outcore_OH.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ea_outcore_OH.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ea_P.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ea_P.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ea_OH.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ea_OH.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_ea_N2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_ea_N2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_uadc/test_approx_trans_moments_CN.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/test_approx_trans_moments_CN.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ip_outcore_H2O.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ip_outcore_H2O.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ip_ea_df_N2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ip_ea_df_N2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ip_cvs_N2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ip_cvs_N2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ip_cvs_H2O.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ip_cvs_H2O.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ip_N2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ip_N2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ip_H2O.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ip_H2O.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ee_outcore_H2O.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ee_outcore_H2O.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ee_df_N2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ee_df_N2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ee_df_H2O.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ee_df_H2O.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ee_N2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ee_N2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ee_H2O.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ee_H2O.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ea_outcore_H2O.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ea_outcore_H2O.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ea_N2.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ea_N2.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_ea_H2O.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_ea_H2O.py + for f in $(find pyscf -name \*.py) + install -D -p -m 644 pyscf/adc/test/test_radc/test_approx_trans_mom_H2O.py /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/test_approx_trans_mom_H2O.py ++ find pyscf -name '*.dat' + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/pseudo/gth-pbesol.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/gth-pbesol.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/pseudo/gth-pbe.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/gth-pbe.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/pseudo/gth-pade.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/gth-pade.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/pseudo/gth-olyp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/gth-olyp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/pseudo/gth-hf.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/gth-hf.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/pseudo/gth-hf-rev.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/gth-hf-rev.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/pseudo/gth-hcth407.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/gth-hcth407.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/pseudo/gth-hcth120.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/gth-hcth120.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/pseudo/gth-bp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/gth-bp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/pseudo/gth-blyp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/pseudo/gth-blyp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-tzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-tzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-tzvp-molopt.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-tzvp-molopt.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-tzv2px-molopt.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-tzv2px-molopt.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-tzv2p.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-tzv2p.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-tzv2p-molopt.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-tzv2p-molopt.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-szvp-molopt-sr-q9.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-szvp-molopt-sr-q9.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-szv.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-szv.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-szv-molopt.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-szv-molopt.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-szv-molopt-sr.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-szv-molopt-sr.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-szv-molopt-sr-q9.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-szv-molopt-sr-q9.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-qzv3p.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-qzv3p.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-qzv2p.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-qzv2p.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-dzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-dzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-dzvp-molopt.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-dzvp-molopt.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-dzvp-molopt-sr.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-dzvp-molopt-sr.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-dzvp-molopt-sr-q9.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-dzvp-molopt-sr-q9.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-dzv.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-dzv.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-cc-tzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-cc-tzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-cc-qzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-cc-qzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-cc-dzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-cc-dzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-aug-tzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-aug-tzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-aug-tzv2p.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-aug-tzv2p.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-aug-qzv3p.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-aug-qzv3p.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-aug-qzv2p.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-aug-qzv2p.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/pbc/gto/basis/gth-aug-dzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/pbc/gto/basis/gth-aug-dzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/weigend_cfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/weigend_cfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/tzv.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/tzv.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/tzp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/tzp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/tzp-dkh.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/tzp-dkh.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/stuttgart_rsc.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/stuttgart_rsc.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/stuttgart_dz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/stuttgart_dz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/sto-6g.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/sto-6g.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/sto-3g.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/sto-3g.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/soecp/ECPDS92MDFBSO.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/soecp/ECPDS92MDFBSO.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/soecp/ECPDS92MDFBQSO.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/soecp/ECPDS92MDFBQSO.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/soecp/ECPDS78MDFSO.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/soecp/ECPDS78MDFSO.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/soecp/ECPDS60MWBSO.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/soecp/ECPDS60MWBSO.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/soecp/ECPDS60MDFSO.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/soecp/ECPDS60MDFSO.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/soecp/ECPDS46MDFSO.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/soecp/ECPDS46MDFSO.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/soecp/ECPDS28MWBSO.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/soecp/ECPDS28MWBSO.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/soecp/ECPDS28MDFSO.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/soecp/ECPDS28MDFSO.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/soecp/ECPDS10MDFSO.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/soecp/ECPDS10MDFSO.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/sbkjc.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/sbkjc.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/sarc-dkh2.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/sarc-dkh2.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/sap_grasp_small.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/sap_grasp_small.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/sap_grasp_large.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/sap_grasp_large.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/roos-tz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/roos-tz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/roos-dz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/roos-dz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/qzp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/qzp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/qzp-dkh.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/qzp-dkh.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31Gss.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31Gss.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31Gs.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31Gs.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31G.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31G.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31G-polarization-p.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31G-polarization-p.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31G-polarization-f.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31G-polarization-f.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31G-polarization-d.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31G-polarization-d.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31G-polarization-3p.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31G-polarization-3p.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31G-polarization-3d.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31G-polarization-3d.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31G-polarization-2p.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31G-polarization-2p.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31G-polarization-2d.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31G-polarization-2d.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31G-diffuse.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31G-diffuse.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311Gss.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311Gss.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311Gs.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311Gs.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311G.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311G.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311G-polarization-p.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311G-polarization-p.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311G-polarization-f.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311G-polarization-f.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311G-polarization-d.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311G-polarization-d.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311G-polarization-3p.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311G-polarization-3p.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311G-polarization-3d.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311G-polarization-3d.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311G-polarization-2p.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311G-polarization-2p.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311G-polarization-2d.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311G-polarization-2d.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311G-diffuse.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311G-diffuse.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311+Gss.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311+Gss.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311+Gs.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311+Gs.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311+G.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311+G.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311++Gss.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311++Gss.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311++Gs.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311++Gs.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-311++G.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-311++G.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31+Gss.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31+Gss.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31+Gs.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31+Gs.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31+G.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31+G.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31++Gss.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31++Gss.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31++Gs.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31++Gs.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/6-31++G.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/6-31++G.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/4-31G.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/4-31G.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/3-21Gs.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/3-21Gs.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/3-21G.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/3-21G.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/3-21G-polarization.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/3-21G-polarization.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/3-21G-diffuse.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/3-21G-diffuse.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/3-21++Gs.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/3-21++Gs.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pople-basis/3-21++G.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pople-basis/3-21++G.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pob-tzvpp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pob-tzvpp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pob-tzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pob-tzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pcseg-4.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pcseg-4.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pcseg-3.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pcseg-3.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pcseg-2.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pcseg-2.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pcseg-1.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pcseg-1.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pcseg-0.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pcseg-0.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pc-4.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pc-4.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pc-3.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pc-3.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pc-2.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pc-2.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pc-1.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pc-1.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/pc-0.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/pc-0.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ma-def2-tzvpp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ma-def2-tzvpp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ma-def2-tzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ma-def2-tzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ma-def2-svpp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ma-def2-svpp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ma-def2-svp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ma-def2-svp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ma-def2-qzvpp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ma-def2-qzvpp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ma-def2-qzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ma-def2-qzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/lanl2tz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/lanl2tz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/lanl2dz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/lanl2dz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/lanl08.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/lanl08.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/heavy-aug-cc-pvtz-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/heavy-aug-cc-pvtz-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/heavy-aug-cc-pvtz-jkfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/heavy-aug-cc-pvtz-jkfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/heavy-aug-cc-pvdz-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/heavy-aug-cc-pvdz-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/heavy-aug-cc-pvdz-jkfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/heavy-aug-cc-pvdz-jkfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pVTZ-F12rev2.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pVTZ-F12rev2.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pVTZ-F12-nZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pVTZ-F12-nZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pVTZ-F12-OptRI.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pVTZ-F12-OptRI.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pVQZ-F12rev2.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pVQZ-F12rev2.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pVQZ-F12-nZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pVQZ-F12-nZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pVQZ-F12-OptRI.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pVQZ-F12-OptRI.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pVDZ-F12rev2.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pVDZ-F12rev2.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pVDZ-F12-nZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pVDZ-F12-nZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pVDZ-F12-OptRI.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pVDZ-F12-OptRI.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pV5Z-F12rev2.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pV5Z-F12rev2.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pV5Z-F12.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pV5Z-F12.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pCVTZ-F12-OptRI.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pCVTZ-F12-OptRI.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pCVQZ-F12-OptRI.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pCVQZ-F12-OptRI.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/cc-pCVDZ-F12-OptRI.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/cc-pCVDZ-F12-OptRI.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/aug-cc-pVTZ-OptRI.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/aug-cc-pVTZ-OptRI.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/aug-cc-pVQZ-OptRI.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/aug-cc-pVQZ-OptRI.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/aug-cc-pVDZ-OptRI.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/aug-cc-pVDZ-OptRI.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/f12-basis/aug-cc-pV5Z-OptRI.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/f12-basis/aug-cc-pV5Z-OptRI.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/dzvp2.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dzvp2.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/dzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/dzp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dzp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/dzp-dkh.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dzp-dkh.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/dz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/dz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/demon_cfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/demon_cfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-universal-jkfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-universal-jkfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-universal-jfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-universal-jfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-tzvppd.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-tzvppd.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-tzvppd-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-tzvppd-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-tzvpp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-tzvpp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-tzvpp-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-tzvpp-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-tzvpd.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-tzvpd.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-tzvpd-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-tzvpd-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-tzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-tzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-tzvp-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-tzvp-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-svpd.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-svpd.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-svpd-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-svpd-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-svp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-svp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-svp-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-svp-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-qzvppd.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-qzvppd.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-qzvppd-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-qzvppd-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-qzvpp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-qzvpp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-qzvpp-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-qzvpp-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-qzvpd.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-qzvpd.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-qzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-qzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-qzvp-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-qzvp-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-mtzvpp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-mtzvpp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/def2-mtzvp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/def2-mtzvp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/crystal-cc-pvdz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/crystal-cc-pvdz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/crenbs.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/crenbs.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/crenbl.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/crenbl.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_cc-pVTZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_cc-pVTZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_cc-pVQZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_cc-pVQZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_cc-pVDZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_cc-pVDZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_cc-pV5Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_cc-pV5Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_aug-cc-pVTZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_aug-cc-pVTZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_aug-cc-pVQZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_aug-cc-pVQZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_aug-cc-pVDZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_aug-cc-pVDZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_aug-cc-pV5Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP_aug-cc-pV5Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_reg/ccECP.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_cc-pVTZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_cc-pVTZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_cc-pVQZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_cc-pVQZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_cc-pVDZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_cc-pVDZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_cc-pV6Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_cc-pV6Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_cc-pV5Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_cc-pV5Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_aug-cc-pVTZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_aug-cc-pVTZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_aug-cc-pVQZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_aug-cc-pVQZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_aug-cc-pVDZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_aug-cc-pVDZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_aug-cc-pV6Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_aug-cc-pV6Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_aug-cc-pV5Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP_aug-cc-pV5Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP_He_core/ccECP.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP/ccECP_cc-pVTZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP/ccECP_cc-pVTZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP/ccECP_cc-pVQZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP/ccECP_cc-pVQZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP/ccECP_cc-pVDZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP/ccECP_cc-pVDZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP/ccECP_cc-pV6Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP/ccECP_cc-pV6Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP/ccECP_cc-pV5Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP/ccECP_cc-pV5Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP/ccECP_aug-cc-pVTZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP/ccECP_aug-cc-pVTZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP/ccECP_aug-cc-pVQZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP/ccECP_aug-cc-pVQZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP/ccECP_aug-cc-pVDZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP/ccECP_aug-cc-pVDZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP/ccECP_aug-cc-pV6Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP/ccECP_aug-cc-pV6Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP/ccECP_aug-cc-pV5Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP/ccECP_aug-cc-pV5Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ccecp-basis/ccECP/ccECP.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ccecp-basis/ccECP/ccECP.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCVTZ_MP2FIT.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCVTZ_MP2FIT.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCVTZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCVTZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCVTZ-PP.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCVTZ-PP.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCVTZ-DK3.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCVTZ-DK3.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCVTZ-DK.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCVTZ-DK.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCVQZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCVQZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCVQZ-PP.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCVQZ-PP.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCVQZ-DK3.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCVQZ-DK3.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCVQZ-DK.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCVQZ-DK.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCVDZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCVDZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCVDZ-PP.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCVDZ-PP.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCVDZ-DK.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCVDZ-DK.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCV5Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCV5Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCV5Z-PP.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCV5Z-PP.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pwCV5Z-DK.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pwCV5Z-DK.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvtz_fit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvtz_fit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvtz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvtz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvtz-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvtz-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvtz-pp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvtz-pp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvtz-jkfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvtz-jkfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvtz-dk.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvtz-dk.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvqz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvqz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvqz-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvqz-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvqz-pp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvqz-pp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvqz-jkfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvqz-jkfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvqz-dk.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvqz-dk.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvdz_fit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvdz_fit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvdz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvdz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvdz-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvdz-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvdz-pp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvdz-pp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvdz-jkfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvdz-jkfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvdz-dk.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvdz-dk.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pvdpdz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pvdpdz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pv5z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pv5z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pv5z-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pv5z-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pv5z-pp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pv5z-pp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pv5z-jkfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pv5z-jkfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pv5z-dk.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pv5z-dk.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pVTZ-PP-NR.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pVTZ-PP-NR.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pVTZ-DK3.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pVTZ-DK3.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pVQZ_MP2FIT.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pVQZ_MP2FIT.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pVQZ-DK3.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pVQZ-DK3.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pVDZ-PP-NR.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pVDZ-PP-NR.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pV5Z_MP2FIT.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pV5Z_MP2FIT.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pCVTZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pCVTZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pCVQZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pCVQZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pCVDZ.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pCVDZ.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pCV6Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pCV6Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/cc-pCV5Z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/cc-pCV5Z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/bfd_vtz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/bfd_vtz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/bfd_vqz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/bfd_vqz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/bfd_vdz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/bfd_vdz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/bfd_v5z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/bfd_v5z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/bfd_pp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/bfd_pp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-pcseg-4.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-pcseg-4.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-pcseg-3.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-pcseg-3.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-pcseg-2.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-pcseg-2.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-pcseg-1.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-pcseg-1.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-pcseg-0.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-pcseg-0.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-pc-4.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-pc-4.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-pc-3.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-pc-3.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-pc-2.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-pc-2.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-pc-1.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-pc-1.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-pc-0.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-pc-0.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pwcvtz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pwcvtz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pwcvqz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pwcvqz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pwcvdz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pwcvdz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pwcv5z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pwcv5z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pwcv5z-dk.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pwcv5z-dk.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pwCVTZ_MP2FIT.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pwCVTZ_MP2FIT.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pwCVTZ-DK3.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pwCVTZ-DK3.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pwCVTZ-DK.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pwCVTZ-DK.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pwCVQZ-DK3.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pwCVQZ-DK3.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pwCVQZ-DK.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pwCVQZ-DK.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvtz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvtz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvtz-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvtz-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvtz-jkfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvtz-jkfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvtz-dk.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvtz-dk.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvqz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvqz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvqz-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvqz-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvqz-jkfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvqz-jkfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvqz-dk.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvqz-dk.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvdzp-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvdzp-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvdzp-jkfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvdzp-jkfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvdz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvdz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvdz-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvdz-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvdz-jkfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvdz-jkfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvdz-dk.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvdz-dk.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pvdpdz.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pvdpdz.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pv5z.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pv5z.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pv5z-ri.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pv5z-ri.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pv5z-jkfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pv5z-jkfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pv5z-dk.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pv5z-dk.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pVTZ-PP.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pVTZ-PP.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pVTZ-DK3.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pVTZ-DK3.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pVQZ_MP2FIT.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pVQZ_MP2FIT.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pVQZ-PP.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pVQZ-PP.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pVQZ-DK3.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pVQZ-DK3.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pVDZ-PP.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pVDZ-PP.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pV5Z_MP2FIT.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pV5Z_MP2FIT.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aug-cc-pV5Z-PP.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aug-cc-pV5Z-PP.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/atzp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/atzp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/aqzp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/aqzp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ano.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ano.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/ahlrichs_cfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/ahlrichs_cfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/adzp.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/adzp.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/DgaussA2_dft_xfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/DgaussA2_dft_xfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/DgaussA2_dft_cfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/DgaussA2_dft_cfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/DgaussA1_dft_xfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/DgaussA1_dft_xfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/DgaussA1_dft_cfit.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/DgaussA1_dft_cfit.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/gto/basis/Burkatzi-Filippi-Dolg-PP.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/gto/basis/Burkatzi-Filippi-Dolg-PP.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/data/solvents.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/data/solvents.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/data/nuclear_g_factor.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/data/nuclear_g_factor.dat + for f in $(find pyscf -name \*.dat) + install -D -p -m 644 pyscf/data/gyromagnetic_ratio.dat /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/data/gyromagnetic_ratio.dat ++ find pyscf -name '*.so' + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libpdft.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libpdft.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libdft.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libdft.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libcc.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libcc.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libpbc.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libpbc.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libmcscf.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libmcscf.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libri.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libri.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libao2mo.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libao2mo.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libagf2.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libagf2.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libcvhf.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libcvhf.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libcgto.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libcgto.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libfci.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libfci.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libmp.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libmp.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libnp_helper.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libnp_helper.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libxc_itrf.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libxc_itrf.so + for f in $(find pyscf -name \*.so) + install -D -p -m 755 pyscf/lib/libxcfun_itrf.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libxcfun_itrf.so + /usr/bin/find-debuginfo -j4 --strict-build-id -m -i --build-id-seed 2.11.0-1.fc44 --unique-debug-suffix -2.11.0-1.fc44.aarch64 --unique-debug-src-base python-pyscf-2.11.0-1.fc44.aarch64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0 find-debuginfo: starting Extracting debug info from 15 files DWARF-compressing 15 files sepdebugcrcfix: Updated 15 CRC32s, 0 CRC32s did match. Creating .debug symlinks for symlinks to ELF files Copying sources found by 'debugedit -l' to /usr/src/debug/python-pyscf-2.11.0-1.fc44.aarch64 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/check-rpaths + /usr/lib/rpm/redhat/brp-mangle-shebangs + /usr/lib/rpm/brp-remove-la-files + /usr/lib/rpm/redhat/brp-python-rpm-in-distinfo + env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j4 Bytecompiling .py files below /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib/debug/usr/lib64/python3.14 using python3.14 Bytecompiling .py files below /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14 using python3.14 /usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_cosmors.py:77: SyntaxWarning: "\[" is an invalid escape sequence. Such sequences will not work in the future. Did you mean "\\["? A raw string is also an option. /usr/lib64/python3.14/site-packages/pyscf/solvent/test/test_cosmors.py:77: SyntaxWarning: "\[" is an invalid escape sequence. Such sequences will not work in the future. Did you mean "\\["? A raw string is also an option. + /usr/lib/rpm/redhat/brp-python-hardlink + /usr/bin/add-det --brp -j4 /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/__pycache__/post_scf.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/__pycache__/__config__.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/__pycache__/__all__.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/__pycache__/__init__.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/uadc_ip.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/uadc_ip_cvs.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/radc_ip_cvs.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/uadc_ao2mo.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/radc_ip.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/uadc_amplitudes.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/uadc_ea.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/uadc.cpython-314.opt-1.pyc: replacing with normalized version /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/radc_ee.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/radc_ao2mo.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/uadc.cpython-314.pyc: replacing with normalized version /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/radc_ea.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/radc_amplitudes.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/dfadc.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/__init__.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ip_cvs_H2O.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/radc.cpython-314.pyc: replacing with normalized version /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/uadc_ee.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/__pycache__/radc.cpython-314.opt-1.pyc: replacing with normalized version /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ip_outcore_H2O.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ip_N2.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ip_ea_df_N2.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ip_H2O.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ee_outcore_H2O.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ip_cvs_N2.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ee_df_N2.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ea_outcore_H2O.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ee_df_H2O.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ea_N2.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ee_H2O.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_approx_trans_mom_H2O.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/__pycache__/test_ip_outcore_OH.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/__pycache__/test_ip_cvs_N2.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ee_N2.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/__pycache__/test_ee_rohf_OH.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_radc/__pycache__/test_ea_H2O.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/__pycache__/test_ip_ea_df_OH.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/__pycache__/test_ee_rohf_O2.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/__pycache__/test_ip_cvs_P.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/__pycache__/test_ip_P.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/__pycache__/test_ip_OH.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/__pycache__/test_ee_rohf_CN.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/adc/test/test_uadc/__pycache__/test_ip_N2.cpython-314.opt-1.pyc: rewriting with normalized contents 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/builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/test/__pycache__/test_x2c_grad.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/test/__pycache__/test_dft.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/test/__pycache__/test_tdscf.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/test/__pycache__/test_x2c.cpython-314.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/x2c/test/__pycache__/test_x2c_hess.cpython-314.opt-1.pyc: rewriting with normalized contents Scanned 297 directories and 3624 files, processed 1378 inodes, 1378 modified (648 replaced + 730 rewritten), 0 unsupported format, 0 errors + /usr/bin/linkdupes --brp /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr Scanned 296 directories and 3624 files, considered 3624 files, read 252 files, linked 8 files, 0 errors sum of sizes of linked files: 244590 bytes Reading /builddir/build/BUILD/python-pyscf-2.11.0-build/SPECPARTS/rpm-debuginfo.specpart Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.oJ0mvE + umask 022 + cd /builddir/build/BUILD/python-pyscf-2.11.0-build + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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 -mbranch-protection=standard -fasynchronous-unwind-tables -fstack-clash-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=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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 pyscf-2.11.0 + bash .github/workflows/run_tests.sh .github/workflows/run_tests.sh: line 12: python: command not found ============================= test session starts ============================== platform linux -- Python 3.14.0, pytest-8.3.5, pluggy-1.6.0 rootdir: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0 configfile: pytest.ini plugins: cov-5.0.0 output file: /dev/null output file: /dev/null This module is deprecated and will be removed in future release. Please use cell.pbc_intor and pbc.hf.get_hcore. collected 3236 items / 251 deselected / 2985 selected pyscf/adc/test/test_radc/test_approx_trans_mom_H2O.py .. pyscf/adc/test/test_radc/test_ea_H2O.py ... pyscf/adc/test/test_radc/test_ea_N2.py .... pyscf/adc/test/test_radc/test_ea_outcore_H2O.py .. pyscf/adc/test/test_radc/test_ee_H2O.py ... pyscf/adc/test/test_radc/test_ee_N2.py ... pyscf/adc/test/test_radc/test_ee_df_H2O.py ... pyscf/adc/test/test_radc/test_ee_df_N2.py ... pyscf/adc/test/test_radc/test_ee_outcore_H2O.py ... pyscf/adc/test/test_radc/test_ip_H2O.py ... pyscf/adc/test/test_radc/test_ip_N2.py .... pyscf/adc/test/test_radc/test_ip_cvs_H2O.py ... pyscf/adc/test/test_radc/test_ip_cvs_N2.py ... pyscf/adc/test/test_radc/test_ip_ea_df_N2.py ..... pyscf/adc/test/test_radc/test_ip_outcore_H2O.py ... pyscf/adc/test/test_uadc/test_approx_trans_moments_CN.py ... pyscf/adc/test/test_uadc/test_ea_N2.py .... pyscf/adc/test/test_uadc/test_ea_OH.py .... pyscf/adc/test/test_uadc/test_ea_P.py ... pyscf/adc/test/test_uadc/test_ea_outcore_OH.py .. pyscf/adc/test/test_uadc/test_ee_CN.py ... pyscf/adc/test/test_uadc/test_ee_F2.py ... pyscf/adc/test/test_uadc/test_ee_H2O.py ... pyscf/adc/test/test_uadc/test_ee_O2.py ... pyscf/adc/test/test_uadc/test_ee_OH.py ... pyscf/adc/test/test_uadc/test_ee_df_CN.py ... pyscf/adc/test/test_uadc/test_ee_df_F2.py ... pyscf/adc/test/test_uadc/test_ee_df_H2O.py ... pyscf/adc/test/test_uadc/test_ee_df_O2.py ... pyscf/adc/test/test_uadc/test_ee_df_OH.py ... pyscf/adc/test/test_uadc/test_ee_df_rohf_O2.py ... pyscf/adc/test/test_uadc/test_ee_df_rohf_OH.py ... pyscf/adc/test/test_uadc/test_ee_outcore_F2.py ... pyscf/adc/test/test_uadc/test_ee_outcore_H2O.py ... pyscf/adc/test/test_uadc/test_ee_outcore_O2.py ... pyscf/adc/test/test_uadc/test_ee_outcore_OH.py ... pyscf/adc/test/test_uadc/test_ee_outcore_rohf_OH.py ... pyscf/adc/test/test_uadc/test_ee_rohf_CN.py ... pyscf/adc/test/test_uadc/test_ee_rohf_O2.py ... pyscf/adc/test/test_uadc/test_ee_rohf_OH.py ... pyscf/adc/test/test_uadc/test_ip_N2.py ... pyscf/adc/test/test_uadc/test_ip_OH.py .... pyscf/adc/test/test_uadc/test_ip_P.py ... pyscf/adc/test/test_uadc/test_ip_cvs_N2.py .. pyscf/adc/test/test_uadc/test_ip_cvs_OH.py ... pyscf/adc/test/test_uadc/test_ip_cvs_P.py .. pyscf/adc/test/test_uadc/test_ip_ea_df_OH.py ..... pyscf/adc/test/test_uadc/test_ip_outcore_OH.py .. pyscf/agf2/test/test_c_agf2.py .... pyscf/agf2/test/test_dfragf2_h2o.py ... pyscf/agf2/test/test_dfuagf2_beh.py ... pyscf/agf2/test/test_ragf2_h2o.py ....... pyscf/agf2/test/test_uagf2_beh.py ...... pyscf/ao2mo/test/test_addons.py ...... pyscf/ao2mo/test/test_incore.py .. pyscf/ao2mo/test/test_init.py .... pyscf/ao2mo/test/test_nrr_outcore.py output file: /dev/null .output file: /dev/null . pyscf/ao2mo/test/test_outcore.py .... pyscf/ao2mo/test/test_r_outcore.py output file: /dev/null ... pyscf/ao2mo/test/test_semi_incore.py .. pyscf/cc/test/test_2e.py . pyscf/cc/test/test_addons.py output file: /dev/null .... pyscf/cc/test/test_ccd.py output file: /dev/null .. pyscf/cc/test/test_ccsd_lambda.py output file: /dev/null .. pyscf/cc/test/test_ccsd_t.py output file: /dev/null CCSD(T) correction = -45.9602870517531 CCSD(T) correction = -45.9602870517531 .CCSD(T) correction = -0.987569101397208 .converged SCF energy = -75.9570720864206 E(CCSD) = -76.10231441007033 E_corr = -0.1452423236497691 CCSD(T) correction = -0.000995245367040065 cycle = 1 norm(lambda1,lambda2) = 0.0171331 cycle = 2 norm(lambda1,lambda2) = 0.00223325 cycle = 3 norm(lambda1,lambda2) = 0.000794722 cycle = 4 norm(lambda1,lambda2) = 0.000324442 cycle = 5 norm(lambda1,lambda2) = 8.01597e-05 cycle = 6 norm(lambda1,lambda2) = 1.80065e-05 cycle = 7 norm(lambda1,lambda2) = 4.25325e-06 cycle = 8 norm(lambda1,lambda2) = 8.16666e-07 cycle = 9 norm(lambda1,lambda2) = 2.6816e-07 cycle = 10 norm(lambda1,lambda2) = 4.55776e-08 cycle = 11 norm(lambda1,lambda2) = 2.46251e-08 cycle = 12 norm(lambda1,lambda2) = 1.84642e-08 cycle = 13 norm(lambda1,lambda2) = 1.48683e-08 cycle = 14 norm(lambda1,lambda2) = 7.41627e-09 .... pyscf/cc/test/test_dfccsd.py output file: /dev/null .............WARN: CCSD detected DF being used in the HF object. MO integrals are computed based on the DF 3-index tensors. It's recommended to use dfccsd.CCSD for the DF-CCSD calculations . pyscf/cc/test/test_dfuccsd.py WARN: system HOMO 0.124027619079234 >= system LUMO -0.474449349618848 output file: /dev/null ...........WARN: UCCSD detected DF being used in the HF object. MO integrals are computed based on the DF 3-index tensors. It's recommended to use dfuccsd.UCCSD for the DF-UCCSD calculations . pyscf/cc/test/test_eom_gccsd.py output file: /dev/null . does not have attributes converged ....output file: /dev/null .. does not have attributes converged .. WARN: Non-zero imaginary part found in GCCSD energy (84.68956216244896-13.187223077677226j) ERROR: t3p2 imds has not been strictly checked for use with complex integrals ERROR: t3p2 imds has not been strictly checked for use with complex integrals WARN: Non-zero imaginary part found in GCCSD energy (-13810365.375313016-210343463.53772202j) .... pyscf/cc/test/test_eom_rccsd.py ..............................output file: /dev/null ................ERROR: t3p2 imds has not been strictly checked for use with complex integrals .... pyscf/cc/test/test_eom_uccsd.py ................... pyscf/cc/test/test_fno.py does not have attributes delta_emp2 output file: /dev/null .. does not have attributes delta_emp2 output file: /dev/null .. pyscf/cc/test/test_fno_uhf.py does not have attributes delta_emp2 output file: /dev/null .. pyscf/cc/test/test_gccsd.py WARN: system HOMO 0.12399495943727 >= system LUMO -0.474582388935664 output file: /dev/null ..converged SCF energy = -149.627307387256 = 2.0331856 2S+1 = 3.0220427 E(GCCSD) = -149.9760061338172 E_corr = -0.3486987465609865 ....E(GCCSD) = 31.84843556687876 E_corr = -1.485966850067686 .Overwritten attributes get_hcore of converged SCF energy = -99.4674407240572 = 0.052833979 2S+1 = 1.1006071 E(GCCSD) = -99.60213879951013 E_corr = -0.1346980754529652 .output file: /dev/null .WARN: system HOMO 0.12399495943727 >= system LUMO -0.474582388935664 output file: /dev/null .... pyscf/cc/test/test_gccsd_lambda.py converged SCF energy = -75.9747238131997 E(CCSD) = -76.11920382540406 E_corr = -0.1444800122043566 converged SCF energy = -75.7241380234558 = 2.0016216 2S+1 = 3.0010808 E(UCCSD) = -75.83457183928114 E_corr = -0.110433815825358 .converged SCF energy = -75.7263969090356 = 2.0038016 2S+1 = 3.0025333 . pyscf/cc/test/test_gccsd_t.py WARN: system HOMO 0.155211550335932 >= system LUMO -0.461751483408136 output file: /dev/null ... pyscf/cc/test/test_h2o.py output file: /dev/null ....... pyscf/cc/test/test_momgfccsd.py ............. pyscf/cc/test/test_qcisd.py output file: /dev/null output file: /dev/null .output file: /dev/null . pyscf/cc/test/test_rccsd.py output file: /dev/null ...WARN: CCSD detected DF being used in the HF object. MO integrals are computed based on the DF 3-index tensors. It's recommended to use dfccsd.CCSD for the DF-CCSD calculations .............WARN: RCCSD method does not support ROHF method. ROHF object is converted to UHF object and UCCSD method is called. .... pyscf/cc/test/test_rccsd_lambda.py output file: /dev/null .F.. pyscf/cc/test/test_rccsd_t_lambda.py output file: /dev/null .. pyscf/cc/test/test_uccsd.py WARN: system HOMO 0.123994959437268 >= system LUMO -0.474582388935664 output file: /dev/null output file: /dev/null ....................WARN: system HOMO 0.124027619079234 >= system LUMO -0.474449349618848 .. pyscf/cc/test/test_uccsd_lambda.py converged SCF energy = -75.7263969090357 = 2.0038016 2S+1 = 3.0025333 .. pyscf/cc/test/test_uccsd_t.py WARN: system HOMO 0.15521155033593 >= system LUMO -0.461751483408135 output file: /dev/null . WARN: Non-zero imaginary part of UCCSD(T) energy was found (-0.05609241571833844-0.010096801094372377j) UCCSD(T) correction = -0.0560924157183384 .converged SCF energy = -75.9495029242517 E(CCSD) = -76.10205527224475 E_corr = -0.1525523479930579 E(UCCSD) = -76.10205527151869 E_corr = -0.1525523472669846 UCCSD(T) correction = -0.00116168783837379 . pyscf/ci/test/test_cisd.py .....converged SCF energy = -75.9839484981053 converged SCF energy = -75.9839484981056 E(RCISD_Scanner) = -76.11407702150417 E_corr = -0.130128523398592 .....output file: /dev/null ...converged SCF energy = -75.9839484981054 E(RCISD_Scanner) = -76.11407702160166 E_corr = -0.1301285234962508 converged SCF energy = -75.9797437122863 E(RCISD_Scanner) = -76.10463428965397 E_corr = -0.1248905773676974 ...converged SCF energy = -74.9630631297276 RCISD root 0 E = -74.97957319008323 RCISD root 1 E = -74.42230973775978 RCISD root 0 E = -74.99171437606924 RCISD root 1 E = -74.52184774467386 RCISD root 0 E = -74.97957052564573 RCISD root 1 E = -74.51172556789618 RCISD root 0 E = -74.96774861270046 RCISD root 1 E = -74.40678479500475 .. pyscf/ci/test/test_gcisd.py ........output file: /dev/null ..output file: /dev/null .WARN: system HOMO 0.123994959437269 >= system LUMO -0.474582388935664 output file: /dev/null ..converged SCF energy = -74.9630631297276 GCISD root 0 E = -74.98930350089033 GCISD root 1 E = -74.58506475379205 GCISD root 2 E = -74.54980774039205 GCISD root 0 E = -74.9857970712002 GCISD root 1 E = -74.58506475379205 GCISD root 2 E = -74.54980481455475 . pyscf/ci/test/test_ucisd.py ...WARN: RCISD method does not support ROHF method. ROHF object is converted to UHF object and UCISD method is called. output file: /dev/null ....WARN: system HOMO 0.426381156259209 >= system LUMO -0.393077639330979 output file: /dev/null .converged SCF energy = -74.9630631297288 = 1.6244783e-12 2S+1 = 1 UCISD root 0 E = -74.97145934633079 UCISD root 1 E = -74.54243831698486 UCISD root 0 E = -74.98256256756454 UCISD root 1 E = -74.5497957309296 UCISD root 0 E = -74.96562499175663 UCISD root 1 E = -74.52709834846866 UCISD root 0 E = -74.96775221800996 UCISD root 1 E = -74.4588014544936 .converged SCF energy = -75.9832108869505 WARN: DF-UCISD for DFHF method is not available. Normal UCISD method is called. E(UCISD) = -76.11313743099856 E_corr = -0.12992654404803 .converged SCF energy = -75.7256085746604 = 2.0037873 2S+1 = 3.0025238 WARN: DF-UCISD for DFHF method is not available. Normal UCISD method is called. E(UCISD) = -75.83072989907383 E_corr = -0.1051213244134428 . pyscf/df/test/test_addons.py . WARN: Even tempered Gaussians are generated as DF auxbasis for He .. pyscf/df/test/test_df.py .WARN: Value of _cderi is ignored. DF integrals will be saved in file /tmp/tmp7qjugi6e . ...... pyscf/df/test/test_df_grad.py .........converged SCF energy = -75.3510315748547 = 0.75157967 2S+1 = 2.001579 converged SCF energy = -75.3510128482144 = 0.75157972 2S+1 = 2.0015791 --------------- UKS gradients --------------- x y z 0 O -0.0000000000 -0.0000000000 0.0532918595 1 H 0.0000000000 0.0675276806 -0.0266519956 2 H 0.0000000000 -0.0675276806 -0.0266519956 ---------------------------------------------- --------------- DFUKS gradients --------------- x y z 0 O 0.0000000000 0.0000000000 0.0533109201 1 H 0.0000000000 0.0675360288 -0.0266615259 2 H 0.0000000000 -0.0675360288 -0.0266615259 ---------------------------------------------- --------------- DFUKS gradients --------------- x y z 0 O 0.0000000000 -0.0000000000 0.0533595286 1 H 0.0000000000 0.0675209897 -0.0266509120 2 H 0.0000000000 -0.0675209897 -0.0266509120 ---------------------------------------------- --------------- DFUKS gradients --------------- x y z 0 O 0.0000000000 0.0000000000 0.0533109201 1 H 0.0000000000 0.0675360288 -0.0266615259 2 H 0.0000000000 -0.0675360288 -0.0266615259 ---------------------------------------------- --------------- DFUKS gradients --------------- x y z 0 O -0.0000000000 0.0000000000 0.0533189572 1 H 0.0000000000 0.0675362420 -0.0266594786 2 H 0.0000000000 -0.0675362420 -0.0266594786 ---------------------------------------------- .. pyscf/df/test/test_df_hessian.py ....... pyscf/df/test/test_df_jk.py output file: /dev/null output file: /dev/null .converged SCF energy = -1.06610864931794 converged SCF energy = -1.06610864931794 ............... pyscf/df/test/test_incore.py ...... pyscf/df/test/test_outcore.py output file: /dev/null .. pyscf/dft/test/test_dftu.py converged SCF energy = -76.2512755088975 converged SCF energy = -76.2660138488192 converged SCF energy = -76.2604853864528 converged SCF energy = -76.254958825152 converged SCF energy = -76.2475930402609 converged SCF energy = -76.2420709289557 converged SCF energy = -76.2365507308818 Uresp = 5.892604, chi0 = -0.087351, chif = -0.057668 .converged SCF energy = -76.2512755088973 = 1.1386447e-12 2S+1 = 1 converged SCF energy = -76.2660138488192 = 0 2S+1 = 1 converged SCF energy = -76.2604853864528 = -1.7763568e-15 2S+1 = 1 converged SCF energy = -76.254958825152 = 3.5527137e-15 2S+1 = 1 converged SCF energy = -76.2475930402608 = -8.8817842e-16 2S+1 = 1 converged SCF energy = -76.2420709289556 = -2.6645353e-15 2S+1 = 1 converged SCF energy = -76.2365507308819 = 0 2S+1 = 1 Uresp = 5.892598, chi0 = -0.087351, chif = -0.057668 . pyscf/dft/test/test_dks.py output file: /dev/null ...... pyscf/dft/test/test_gks.py output file: /dev/null ......... pyscf/dft/test/test_grids.py output file: /dev/null ..WARN: n_ang 11 for atom 0 O is not the supported Lebedev angular grids. Set n_ang to 50 WARN: n_ang 11 for atom 1 H is not the supported Lebedev angular grids. Set n_ang to 50 ....... pyscf/dft/test/test_h2o.py output file: /dev/null output file: /dev/null output file: /dev/null output file: /dev/null .........WARN: B1 HOMO -0.402195769494033 > system LUMO -0.402195769494033 WARN: B1 LUMO -0.402195769494033 < system HOMO -0.402195769494033 ......................WARN: alpha-B1 HOMO -0.426962052077928 > system LUMO -0.426962052077928 ..WARN: alpha-B1 HOMO -0.402195769494033 > system LUMO -0.402195769494033 ..WARN: alpha-B1 HOMO -0.426962052077927 > system LUMO -0.426962052077927 .WARN: system HOMO -0.429615333437155 >= system LUMO -0.429615333437155 ..WARN: alpha-B1 HOMO -0.402195769494034 > system LUMO -0.402195769494034 ........ pyscf/dft/test/test_he.py output file: /dev/null converged SCF energy = -0.435670232979571 converged SCF energy = -0.435670232979571 .....converged SCF energy = -1.93633205864862 converged SCF energy = -1.93633205864862 ............ pyscf/dft/test/test_libxc.py .............Possible xc_code ['GGA_K_APBE', 'GGA_X_APBE'] matches APBE. XC parser takes GGA_X_APBE You can add prefix to APBE for a specific functional (e.g. GGA_X_APBE, HYB_MGGA_X_APBE) ... pyscf/dft/test/test_numint.py output file: /dev/null .WARN: eval_rho1 does not support complex density, eval_rho is called instead WARN: eval_rho1 does not support complex density, eval_rho is called instead ................ pyscf/dft/test/test_numint2c.py .... pyscf/dft/test/test_r_numint.py ....... pyscf/dft/test/test_xc_deriv.py ............... pyscf/dft/test/test_xcfun.py .........Possible xc_code ['GGA_K_APBE', 'GGA_X_APBE'] matches APBE. XC parser takes GGA_X_APBE You can add prefix to APBE for a specific functional (e.g. GGA_X_APBE, HYB_MGGA_X_APBE) .Possible xc_code ['GGA_K_APBE', 'GGA_X_APBE'] matches APBE. XC parser takes GGA_X_APBE You can add prefix to APBE for a specific functional (e.g. GGA_X_APBE, HYB_MGGA_X_APBE) . pyscf/eph/test/test_rhf.py output file: /dev/null . pyscf/eph/test/test_rks.py output file: /dev/null . pyscf/eph/test/test_uhf.py output file: /dev/null . pyscf/eph/test/test_uks.py output file: /dev/null . pyscf/fci/test/test_addons.py .............. pyscf/fci/test/test_cistring.py ......... pyscf/fci/test/test_direct_nosym.py ..... pyscf/fci/test/test_ep.py ..check 1e DM check 2e DM check 2e DM check phonon DM . pyscf/fci/test/test_rdm.py ....... pyscf/fci/test/test_selected_ci.py converged SCF energy = -1.06610864931794 WARN: This is an inefficient dialect of Selected CI using the same structure as determinant based FCI algorithm. For the efficient Selected CI programs, it is recommended to use the Dice program (https://github.com/sanshar/Dice.git). CASCI E = -1.10115033023262 E(CI) = -1.63032754115262 S^2 = 0.0000000 ............. WARN: This is an inefficient dialect of Selected CI using the same structure as determinant based FCI algorithm. For the efficient Selected CI programs, it is recommended to use the Dice program (https://github.com/sanshar/Dice.git). ..icycle 0 ci.shape (19, 19) E = -5.44934589231441 icycle 1 ci.shape (20, 20) E = -5.72512544614135 . WARN: Selected-CI space generated from HF ground state (by double exciting) is not enough for excited states. HOMO->LUMO excitations are included in the initial guess. NOTE: This may introduce excited states of different symmetry. .......... pyscf/fci/test/test_spin0.py ......... pyscf/fci/test/test_spin0_symm.py ..converged SCF energy = -14.8482663177551 . pyscf/fci/test/test_spin1.py ..... WARN: Not enough eigenvectors (len(x0)=21, nroots=36) ...... pyscf/fci/test/test_spin1_cyl_sym.py converged SCF energy = -6.75843091884253 .converged SCF energy = -8.02332500600904 ..converged SCF energy = 2.316702515009 CASCI E = 2.65619565854096 E(CI) = 2.21521464944096 S^2 = 2.0000000 CASCI E = 2.65619565854096 E(CI) = 2.21521464944096 S^2 = 2.0000000 CASCI E = 2.89999510683565 E(CI) = 2.45901409773565 S^2 = 0.0000000 CASCI E = 2.89999510683565 E(CI) = 2.45901409773565 S^2 = 0.0000000 .converged SCF energy = -108.677513841467 CASCI E = -108.683383594712 E(CI) = -10.0100865091894 S^2 = 5.9999999 CASCI E = -108.683383599061 E(CI) = -10.0100865135386 S^2 = 6.0000000 .converged SCF energy = -149.528366066495 CASCI E = -149.568276497070 E(CI) = -12.0439195615460 S^2 = 2.0000000 CASCI E = -149.568276497070 E(CI) = -12.0439195615460 S^2 = 2.0000000 CASCI E = -149.568276497070 E(CI) = -12.0439195615460 S^2 = 2.0000000 .converged SCF energy = 0.951830724693638 . pyscf/fci/test/test_spin1_symm.py ....converged SCF energy = -75.3005074778384 CASCI E = -75.4345364744248 E(CI) = -4.20588957821452 S^2 = 0.0000000 ...converged SCF energy = -14.8482663177551 .. pyscf/fci/test/test_spin_op.py .local spin for H1+H2 = 0 local spin for H1 = 0.75 local spin for H2 = 0.75 tot spin for HH = 0 ... pyscf/fci/test/test_symm_init_guess.py .. pyscf/fci/test/test_uhf.py ........ pyscf/geomopt/test/test_addons.py . pyscf/geomopt/test/test_berny_solver.py ss pyscf/geomopt/test/test_geometric_solver.py sss pyscf/grad/test/test_casci.py output file: /dev/null .WARN: Mulitple states found in CASCI solver. First state is used to compute the Fock matrix and natural orbitals in active space. WARN: Mulitple states found in CASCI solver. First state is used to compute the Fock matrix and natural orbitals in active space. WARN: Mulitple states found in CASCI solver. First state is used to compute the Fock matrix and natural orbitals in active space. ...converged SCF energy = -1.08110417598159 CASCI E = -1.09796314384443 E(CI) = -1.59144800869320 S^2 = 0.0000000 --------- CASCI gradients for state 0 ---------- x y z 0 H 0.0000103000 0.0788925891 -0.0000381100 1 H -0.0000103000 -0.0788925891 0.0000381100 ---------------------------------------------- ....converged SCF energy = -108.835774209929 CASCI E = -108.929969056254 E(CI) = -5.41670929735656 S^2 = 0.0000000 WARN: Unable to to identify input symmetry using original axes. Different symmetry axes will be used. --------- SymAdaptedCASCI gradients for state 0 ---------- x y z 0 N 0.0000000000 0.0000000000 -0.1651242837 1 N 0.0000000000 0.0000000000 0.1651242837 ---------------------------------------------- ... pyscf/grad/test/test_casscf.py output file: /dev/null ..Overwritten attributes e_tot converged of does not have attributes conv_tol ci ......... pyscf/grad/test/test_ccsd.py output file: /dev/null .output file: /dev/null ..converged SCF energy = -108.835774209929 E(CCSD) = -109.0871974240834 E_corr = -0.251423214154289 WARN: Unable to to identify input symmetry using original axes. Different symmetry axes will be used. --------------- CCSD gradients --------------- x y z 0 N 0.0000000000 0.0000000000 -0.1444020487 1 N 0.0000000000 0.0000000000 0.1444020487 ---------------------------------------------- ... pyscf/grad/test/test_ccsd_t.py output file: /dev/null .. pyscf/grad/test/test_cisd.py does not have attributes state output file: /dev/null . does not have attributes state ....converged SCF energy = -108.835774209929 E(RCISD) = -109.0670408144826 E_corr = -0.2312666045536056 WARN: Unable to to identify input symmetry using original axes. Different symmetry axes will be used. --------- RCISD gradients for state 0 ---------- x y z 0 N 0.0000000000 0.0000000000 -0.1703958326 1 N 0.0000000000 0.0000000000 0.1703958326 ---------------------------------------------- . pyscf/grad/test/test_cmspdft.py .. pyscf/grad/test/test_h2o.py output file: /dev/null output file: /dev/null output file: /dev/null ....WARN: system HOMO 0.123994959437269 >= system LUMO 0.123994959437269 .WARN: Singularity detected in overlap matrix (condition number = 2.02e+06). SCF may be inaccurate and hard to converge. ......WARN: system HOMO 0.0219877438540772 >= system LUMO 0.0219877438540772 .WARN: system HOMO -0.402204175077101 >= system LUMO -0.402204175077101 . pyscf/grad/test/test_hf.py output file: /dev/null ....... pyscf/grad/test/test_lpdft.py ........... pyscf/grad/test/test_mcpdft.py .... pyscf/grad/test/test_metagga_mcpdft.py ..... pyscf/grad/test/test_mp2.py output file: /dev/null ..WARN: Not enough memory for integral transformation. Available mem 0 MB, required mem 0.003 MB .converged SCF energy = -75.9843317684121 E(RMP2) = -76.110693660292 E_corr = -0.126361891879915 E(SCS-RMP2) = -76.1102537694334 E_corr = -0.125922001021286 --------------- RMP2 gradients --------------- x y z 0 O -0.0000000000 0.0063634746 0.0445078865 1 H 0.0000000000 0.0371735629 -0.0202297876 2 H -0.0000000000 -0.0435370375 -0.0242780989 ---------------------------------------------- ..converged SCF energy = -108.835774209929 E(RMP2) = -109.110014957886 E_corr = -0.274240747956731 E(SCS-RMP2) = -109.098212333674 E_corr = -0.262438123744903 WARN: Unable to to identify input symmetry using original axes. Different symmetry axes will be used. --------------- RMP2 gradients --------------- x y z 0 N 0.0000000000 0.0000000000 -0.0714308209 1 N 0.0000000000 0.0000000000 0.0714308209 ---------------------------------------------- ... pyscf/grad/test/test_mspdft.py ... pyscf/grad/test/test_pdft_diatomic_gradients.py ............ pyscf/grad/test/test_pdft_h2co.py .. pyscf/grad/test/test_rhf.py output file: /dev/null .ECP lanl2dz not found for H ECP lanl2dz not found for H ECP lanl2dz not found for H ECP lanl2dz not found for H ECP lanl2dz not found for H ......... pyscf/grad/test/test_rks.py output file: /dev/null .........converged SCF energy = -99.7487247853424 --------------- RKS gradients --------------- x y z 0 H -0.0000000000 0.0000000000 -0.0026893522 1 F -0.0000000000 -0.0000000000 0.0026933207 ---------------------------------------------- converged SCF energy = -99.7487249060316 --------------- RKS gradients --------------- x y z 0 H -0.0000000000 -0.0000000000 -0.0026893155 1 F 0.0000000000 0.0000000000 0.0026891129 ---------------------------------------------- . pyscf/grad/test/test_rkspu.py converged SCF energy = -112.705745479498 ... pyscf/grad/test/test_rohf.py output file: /dev/null output file: /dev/null ..converged SCF energy = -75.5783963795898 --------------- ROHF gradients --------------- x y z 0 O -0.0000000000 -0.0000000000 0.0028164587 1 H -0.0000000000 0.0428113397 -0.0014082294 2 H 0.0000000000 -0.0428113397 -0.0014082294 ---------------------------------------------- .converged SCF energy = -75.9839484981055 --------------- ROHF gradients --------------- x y z 0 O -0.0000000000 0.0000000000 -0.0241134256 1 H -0.0000000000 0.0043969052 0.0120567128 2 H 0.0000000000 -0.0043969052 0.0120567128 ---------------------------------------------- . pyscf/grad/test/test_roks.py output file: /dev/null ..converged SCF energy = -75.924136449846 --------------- ROKS gradients --------------- x y z 0 O -0.0000000000 0.0000000000 0.0516999581 1 H 0.0000000000 0.0638666247 -0.0258541336 2 H 0.0000000000 -0.0638666247 -0.0258541336 ---------------------------------------------- --------------- ROKS gradients --------------- x y z 0 O -0.0000000000 0.0000000000 0.0516940493 1 H 0.0000000000 0.0638566407 -0.0258470246 2 H 0.0000000000 -0.0638566407 -0.0258470246 ---------------------------------------------- converged SCF energy = -75.9265400254142 --------------- ROKS gradients --------------- x y z 0 O -0.0000000000 0.0000000000 0.0395990903 1 H 0.0000000000 0.0586841786 -0.0198038246 2 H 0.0000000000 -0.0586841786 -0.0198038246 ---------------------------------------------- .converged SCF energy = -99.5748529729375 --------------- ROKS gradients --------------- x y z 0 H -0.0000000000 -0.0000000000 -0.1479101545 1 F -0.0000000000 0.0000000000 0.1479140852 ---------------------------------------------- converged SCF energy = -99.5748530769592 --------------- ROKS gradients --------------- x y z 0 H 0.0000000000 0.0000000000 -0.1479101102 1 F -0.0000000000 0.0000000000 0.1479099090 ---------------------------------------------- .converged SCF energy = -75.3503514141292 --------------- ROKS gradients --------------- x y z 0 O 0.0000000000 -0.0000000000 0.0529837148 1 H -0.0000000000 0.0673568412 -0.0264979195 2 H -0.0000000000 -0.0673568412 -0.0264979195 ---------------------------------------------- --------------- ROKS gradients --------------- x y z 0 O 0.0000000000 -0.0000000000 0.0529917547 1 H -0.0000000000 0.0673570500 -0.0264958773 2 H -0.0000000000 -0.0673570500 -0.0264958773 ---------------------------------------------- . pyscf/grad/test/test_tdrhf_grad.py output file: /dev/null converged SCF energy = -108.835774209929 Excited State energies (eV) [6.08166519] WARN: Unable to to identify input symmetry using original axes. Different symmetry axes will be used. --------- TDA gradients for state 1 ---------- x y z 0 N 0.0000000000 0.0000000000 0.1127031207 1 N 0.0000000000 0.0000000000 -0.1127031207 ---------------------------------------------- .WARN: state=0 found in the input. Gradients of ground state is computed. .... pyscf/grad/test/test_tdrks_grad.py ....... pyscf/grad/test/test_tduhf_grad.py WARN: system HOMO -0.657640956457275 >= system LUMO -0.657640956457277 output file: /dev/null .. pyscf/grad/test/test_tduks_grad.py WARN: system HOMO -0.378610208755891 >= system LUMO -0.378610208755903 WARN: system HOMO -0.402961503965004 >= system LUMO -0.402961503965008 output file: /dev/null ....WARN: system HOMO -0.525399157384651 >= system LUMO -0.525399157384655 .. pyscf/grad/test/test_ucisd.py WARN: system HOMO 0.123994959437268 >= system LUMO -0.474582388935664 does not have attributes state output file: /dev/null .WARN: system HOMO 0.12399495943727 >= system LUMO -0.474582388935664 .. pyscf/grad/test/test_uhf.py WARN: system HOMO 0.426371235761397 >= system LUMO 0.426371235761397 WARN: system HOMO -0.0655933359771078 >= system LUMO -0.0655933359771078 output file: /dev/null output file: /dev/null .WARN: system HOMO 0.426381156259208 >= system LUMO 0.426381156259208 WARN: system HOMO -0.0656000550145199 >= system LUMO -0.0656000550145199 .converged SCF energy = -75.5805198440488 = 0.75528459 2S+1 = 2.0052776 --------------- UHF gradients --------------- x y z 0 O -0.0000000000 0.0000000000 0.0032777497 1 H 0.0000000000 0.0431591311 -0.0016388749 2 H -0.0000000000 -0.0431591311 -0.0016388749 ---------------------------------------------- .converged SCF energy = -2.85516047724274 = -4.4408921e-16 2S+1 = 1 --------------- UHF gradients --------------- x y z 0 He 0.0000000000 0.0000000000 0.0000000000 ---------------------------------------------- .converged SCF energy = -75.9839484981056 = -1.7763568e-15 2S+1 = 1 --------------- UHF gradients --------------- x y z 0 O -0.0000000000 0.0000000000 -0.0241134241 1 H -0.0000000000 0.0043969054 0.0120567120 2 H 0.0000000000 -0.0043969054 0.0120567120 ---------------------------------------------- . pyscf/grad/test/test_uks.py WARN: system HOMO -0.402204175673421 >= system LUMO -0.402204175673421 output file: /dev/null ...WARN: system HOMO -0.426968666148784 >= system LUMO -0.426968666148784 WARN: system HOMO -0.403556164845612 >= system LUMO -0.403556164845612 .WARN: system HOMO -0.412606810789274 >= system LUMO -0.412606810789274 .WARN: system HOMO -0.402237385896596 >= system LUMO -0.402237385896596 ...converged SCF energy = -99.5749115402541 = 0.75006089 2S+1 = 2.0000609 --------------- UKS gradients --------------- x y z 0 H -0.0000000000 -0.0000000000 -0.1481125372 1 F -0.0000000000 0.0000000000 0.1481164669 ---------------------------------------------- converged SCF energy = -99.5749116439895 = 0.75006089 2S+1 = 2.0000609 --------------- UKS gradients --------------- x y z 0 H -0.0000000000 -0.0000000000 -0.1481124983 1 F -0.0000000000 -0.0000000000 0.1481122971 ---------------------------------------------- . pyscf/grad/test/test_ukspu.py converged SCF energy = -112.458697679853 = 2.0271776 2S+1 = 3.018064 .. pyscf/grad/test/test_ump2.py WARN: system HOMO 0.12399495943727 >= system LUMO -0.474582388935664 output file: /dev/null .... pyscf/gto/test/test_basis_parser.py ................ pyscf/gto/test/test_ecp.py WARN: ECP for Cu not specified. The basis set lanl2dz include an ECP. Recommended ECP: LANL2DZ. WARN: ECP for Cu not specified. The basis set lanl2dz include an ECP. Recommended ECP: LANL2DZ. WARN: ECP for Cu not specified. The basis set lanl2dz include an ECP. Recommended ECP: LANL2DZ. ........ WARN: ECP for Cu not specified. The basis set lanl2dz include an ECP. Recommended ECP: LANL2DZ. WARN: ECP for Cu not specified. The basis set lanl2dz include an ECP. Recommended ECP: LANL2DZ. WARN: ECP for Cu not specified. The basis set lanl2dz include an ECP. Recommended ECP: LANL2DZ. ...converged SCF energy = -5.66197937620795 converged SCF energy = -5.66198034773817 WARNING! Size of vacuum may not be enough. The recommended vacuum size is 22.563481813201317 AA (42.63880104355518 Bohr) ... pyscf/gto/test/test_eval_gto.py .. pyscf/gto/test/test_ft_ao.py ....... pyscf/gto/test/test_mole.py ECP lanl2dz not found for O1 overwrite output file: /tmp/tmpk8amrigg ..WARN: alpha-B1 HOMO -0.296386608205433 > system LUMO -0.296386608205433 .....Warning: Basis not found for atom 0 H Warning: Basis not found for atom 1 H Warning: Basis not found for atom 3 H Warning: Basis not found for atom 4 H Warning: Basis not found for atom 6 H Warning: Basis not found for atom 7 H .....ECP lanl2dz not found for O1 ......Assigning the first argument He to mol.atom ..Warning: Basis not found for atom 1 H Warning: Basis not found for atom 2 H .. WARN: Mole.unit (angstrom) is changed to Angstrom True True True . WARN: Mole.unit (angstrom) is changed to Angstrom True True True .converged SCF energy = -2.80778395753997 converged SCF energy = -2.80778395753997 converged SCF energy = -2.77188604437939 converged SCF energy = -2.8443618818369 converged SCF energy = -2.85273153347586 ..output file: /dev/null .ECP lanl2dz not found for O1 ECP lanl2dz not found for H ECP lanl08 not found for O ECP lanl2dz not found for H ...WARN: This version does not support symmetry Dooh for cartesian GTO basis. Its subgroup D2h is used output file: /dev/null output file: /dev/null WARN: len(magmom) != natm. Set magmom to zero WARN: len(magmom) != natm. Set magmom to zero .ECP lanl2dz not found for O1 #INFO: **** input file is /usr/bin/pytest **** #! /usr/bin/python3 -P import sys from pytest import console_main if __name__ == '__main__': if sys.argv[0].endswith('.exe'): sys.argv[0] = sys.argv[0][:-4] sys.exit(console_main()) #INFO: ******************** input file end ******************** System: uname_result(system='Linux', node='6ff3d505b3ee46e4820661610888ec3a', release='6.16.7-200.fc42.aarch64', version='#1 SMP PREEMPT_DYNAMIC Thu Sep 11 17:27:40 UTC 2025', machine='aarch64') Threads 4 Python 3.14.0 (main, Oct 17 2025, 00:00:00) [GCC 15.2.1 20250924 (Red Hat 15.2.1-2)] numpy 2.3.4 scipy 1.16.2 h5py 3.15.1 Date: Wed Oct 22 08:38:01 2025 PySCF version 2.11.0 PySCF path /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf [CONFIG] ARGPARSE = False [CONFIG] DEBUG = False [CONFIG] MAX_MEMORY = 4000 [CONFIG] TMPDIR = ./pyscftmpdir [CONFIG] UNIT = angstrom [CONFIG] VERBOSE = 3 [CONFIG] conf_file = /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/.pyscf_conf.py [CONFIG] dftd3_DFTD3PATH = ./pyscf/lib/deps/lib [CONFIG] pbc_tools_pbc_fft_engine = NUMPY+BLAS [CONFIG] scf_hf_SCF_mute_chkfile = True [INPUT] verbose = 7 [INPUT] max_memory = 4000 [INPUT] num. atoms = 3 [INPUT] num. electrons = 9 [INPUT] charge = 1 [INPUT] spin (= nelec alpha-beta = 2S) = 1 [INPUT] symmetry True subgroup None [INPUT] Mole.unit = Ang [INPUT] Symbol X Y Z unit X Y Z unit Magmom [INPUT] 1 H 0.000000000000 1.000000000000 1.000000000000 AA 0.000000000000 1.889726124565 1.889726124565 Bohr 0.0 [INPUT] 2 O 0.000000000000 0.000000000000 0.000000000000 AA 0.000000000000 0.000000000000 0.000000000000 Bohr 0.0 [INPUT] 3 H 1.000000000000 1.000000000000 0.000000000000 AA 1.889726124565 1.889726124565 0.000000000000 Bohr 0.0 [INPUT] Gaussian nuclear model for atoms dict_keys(['O', 3]) [INPUT] ---------------- BASIS SET ---------------- [INPUT] l, kappa, [nprim/nctr], expnt, c_1 c_2 ... [INPUT] O [INPUT] 0 0 [6 /1 ] 3047.5249 0.0018347 457.36951 0.0140373 103.94869 0.0688426 29.210155 0.2321844 9.286663 0.4679413 3.163927 0.362312 [INPUT] 0 0 [3 /1 ] 7.8682724 -0.1193324 1.8812885 -0.1608542 0.5442493 1.1434564 [INPUT] 0 0 [1 /1 ] 0.1687144 1 [INPUT] 1 0 [3 /1 ] 7.8682724 0.0689991 1.8812885 0.316424 0.5442493 0.7443083 [INPUT] 1 0 [1 /1 ] 0.1687144 1 [INPUT] H [INPUT] 0 0 [3 /1 ] 18.731137 0.0334946 2.8253937 0.23472695 0.6401217 0.81375733 [INPUT] 0 0 [1 /1 ] 0.1612778 1 nuclear repulsion = 6.36114150294557 point group symmetry = C2v symmetry origin: [0.18897261 0.37794522 0.18897261] symmetry axis x: [ 0.57735027 -0.57735027 0.57735027] symmetry axis y: [ 0.70710678 0. -0.70710678] symmetry axis z: [0.40824829 0.81649658 0.40824829] num. orbitals of irrep A1 = 7 num. orbitals of irrep B1 = 2 num. orbitals of irrep B2 = 4 number of shells = 9 number of NR pGTOs = 30 number of NR cGTOs = 13 basis = {'O': [[0, [3047.5249, 0.0018347], [457.36951, 0.0140373], [103.94869, 0.0688426], [29.210155, 0.2321844], [9.286663, 0.4679413], [3.163927, 0.362312]], [0, [7.8682724, -0.1193324], [1.8812885, -0.1608542], [0.5442493, 1.1434564]], [0, [0.1687144, 1.0]], [1, [7.8682724, 0.0689991], [1.8812885, 0.316424], [0.5442493, 0.7443083]], [1, [0.1687144, 1.0]]], 'H': '6-31g'} ecp = {'O1': 'lanl2dz'} bas 0, expnt(s) = [18.731137 2.8253937 0.6401217] bas 1, expnt(s) = [0.1612778] bas 2, expnt(s) = [3047.5249 457.36951 103.94869 29.210155 9.286663 3.163927] bas 3, expnt(s) = [7.8682724 1.8812885 0.5442493] bas 4, expnt(s) = [0.1687144] bas 5, expnt(s) = [7.8682724 1.8812885 0.5442493] bas 6, expnt(s) = [0.1687144] bas 7, expnt(s) = [18.731137 2.8253937 0.6401217] bas 8, expnt(s) = [0.1612778] CPU time: 1630.89 ......output file: /dev/null ......ECP lanl2dz not found for O1 WARN: len(magmom) != natm. Set magmom to zero .. WARN: Mole.unit (angstrom) is changed to B New geometry 1 H 0.000000000000 1.000000000000 1.000000000000 AA 0.000000000000 1.889726124565 1.889726124565 Bohr 2 O1 0.000000000000 0.000000000000 0.000000000000 AA 0.000000000000 0.000000000000 0.000000000000 Bohr 3 H 1.000000000000 1.000000000000 0.000000000000 AA 1.889726124565 1.889726124565 0.000000000000 Bohr New geometry 1 H 0.000000000000 1.000000000000 1.000000000000 AA 0.000000000000 1.889726124565 1.889726124565 Bohr 2 O1 0.000000000000 0.000000000000 0.000000000000 AA 0.000000000000 0.000000000000 0.000000000000 Bohr 3 H 1.000000000000 1.000000000000 0.000000000000 AA 1.889726124565 1.889726124565 0.000000000000 Bohr New geometry 1 H 0.000000000000 1.000000000000 1.000000000000 AA 0.000000000000 1.889726124565 1.889726124565 Bohr 2 O1 0.000000000000 0.000000000000 0.000000000000 AA 0.000000000000 0.000000000000 0.000000000000 Bohr 3 H 1.000000000000 1.000000000000 0.000000000000 AA 1.889726124565 1.889726124565 0.000000000000 Bohr New geometry 1 H 0.000000000000 1.000000000000 1.000000000000 AA 0.000000000000 1.889726124565 1.889726124565 Bohr 2 O1 0.000000000000 0.000000000000 0.000000000000 AA 0.000000000000 0.000000000000 0.000000000000 Bohr 3 H 1.000000000000 1.000000000000 0.000000000000 AA 1.889726124565 1.889726124565 0.000000000000 Bohr WARN: Mole.unit (B) is changed to 1.0 New geometry 1 H 0.000000000000 1.000000000000 1.000000000000 AA 0.000000000000 1.889726124565 1.889726124565 Bohr 2 O1 0.000000000000 0.000000000000 0.000000000000 AA 0.000000000000 0.000000000000 0.000000000000 Bohr 3 H 1.000000000000 1.000000000000 0.000000000000 AA 1.889726124565 1.889726124565 0.000000000000 Bohr WARN: Mole.unit (1.0) is changed to Ang New geometry 1 H 0.000000000000 1.889726124565 1.889726124565 AA 0.000000000000 3.571064825864 3.571064825864 Bohr 2 O1 0.000000000000 0.000000000000 0.000000000000 AA 0.000000000000 0.000000000000 0.000000000000 Bohr 3 H 1.889726124565 1.889726124565 0.000000000000 AA 3.571064825864 3.571064825864 0.000000000000 Bohr . WARN: This version does not support symmetry Dooh for cartesian GTO basis. Its subgroup D2h is used WARN: This version does not support symmetry Dooh for cartesian GTO basis. Its subgroup D2h is used ...converged SCF energy = -76.0267656731176 ...... pyscf/gto/test/test_moleintor.py ECP LANL2DZ not found for C1 ................. pyscf/gto/test/test_pp_int.py output file: /dev/null . pyscf/gto/test/test_tao.py pass . pyscf/gw/test/test_gw.py WARN: Ground state SCF is not converged output file: /dev/null output file: /dev/null .WARN: GW QP energies may not be sorted from min to max ... pyscf/gw/test/test_ugw.py WARN: beta nocc = 3 HOMO -0.350826694589574 >= LUMO -0.350826694589573 WARN: system HOMO -0.350826694589573 >= system LUMO -0.350826694589573 WARN: GW QP energies may not be sorted from min to max output file: /dev/null .. pyscf/hessian/test/test_rhf.py output file: /dev/null ...... pyscf/hessian/test/test_rks.py output file: /dev/null .... pyscf/hessian/test/test_thermo.py ..converged SCF energy = -74.9630631297292 Mode 0 1 2 Irrep Freq [cm^-1] 2044.5497 4486.6573 4788.2700 Reduced mass [au] 1.0816 1.0465 1.0820 Force const [Dyne/A] 2.6639 12.4120 14.6156 Char temp [K] 2941.6518 6455.3009 6889.2545 Normal mode x y z x y z x y z 0 O 0.00 -0.00 -0.07 -0.00 -0.00 -0.05 -0.00 -0.07 -0.00 1 H -0.00 -0.42 0.53 0.00 0.57 0.39 -0.00 0.54 0.42 2 H -0.00 0.42 0.53 0.00 -0.57 0.39 0.00 0.54 -0.42 temperature 298.1500 [K] pressure 101325.00 [Pa] Rotational constants [GHz] 819.20368 437.45654 285.17335 Symmetry number 2 Zero-point energy (ZPE) 0.02579 [Eh] 67705.508 [J/mol] tot elec trans rot vib Entropy [J/mol/K] 188.538 0.000 144.804 43.730 0.005 Cv [J/mol/K] 24.985 0.000 12.472 12.472 0.042 Cp [J/mol/K] 33.300 0.000 20.786 12.472 0.042 Internal energy [J/mol] 3718.434 3718.434 67706.777 Internal energy [Eh] -74.93444 -74.96306 Enthalpy [J/mol] 6197.391 3718.434 67706.777 Enthalpy [Eh] -74.93350 Gibbs free energy [J/mol] -36975.931 -9319.578 67705.379 Gibbs free energy [Eh] -74.95491 . pyscf/hessian/test/test_uhf.py WARN: system HOMO 0.123994959437271 >= system LUMO -0.474582388935664 output file: /dev/null ..WARN: system HOMO 0.123994959437268 >= system LUMO -0.474582388935664 .WARN: system HOMO 0.123994959437271 >= system LUMO -0.474582388935663 . pyscf/hessian/test/test_uks.py WARN: system HOMO -0.423203467980704 >= system LUMO -0.423203467980704 output file: /dev/null .WARN: system HOMO -0.402204175673421 >= system LUMO -0.402204175673421 .WARN: system HOMO -0.412602341413476 >= system LUMO -0.412602341413476 WARN: MGGA Hessian is sensitive to dft grids. grids.level 4 may not be dense enough. .WARN: system HOMO -0.460823893561094 >= system LUMO -0.460823893561094 .WARN: system HOMO -0.428901550855981 >= system LUMO -0.428901550855981 . pyscf/hessian/test/test_vv10_hessian.py output file: /dev/null .test_vv10_only_hessian_density_fitting ... pyscf/lib/ao2mo/test/test_ao2mo.py . pyscf/lib/dft/test/test_libdft.py . pyscf/lib/dft/test/test_sparse_dot.py ......... pyscf/lib/gto/test/test_ecp.py ........... pyscf/lib/gto/test/test_gridao.py .................. pyscf/lib/test/test_chkfile.py .. pyscf/lib/test/test_diis.py .... pyscf/lib/test/test_einsum.py ......................... pyscf/lib/test/test_linalg_helper.py .. WARN: QR decomposition removed 1 vectors. WARN: Not enough eigenvectors (len(x0)=1, nroots=3) ....0.09751010162622811 0.08627525506097918 0.08978682056959614 .davidson 0 1 |r|= 1.6e+04 e= [40.40943951] max|de|= 40.4 lindep= 0.0303 davidson 1 2 |r|= 281 e= [21.38743586 33.69376254] max|de|= 33.7 lindep= 0.0216 davidson 2 4 |r|= 191 e= [ 7.32531567 53.84534357] max|de|= 53.8 lindep= 0.0302 davidson 3 6 |r|= 38.2 e= [-2.74962377 17.48554403] max|de|= 17.5 lindep= 0.166 davidson 4 8 |r|= 3.53 e= [-1.03060773 43.27107087] max|de|= 43.3 lindep= 0.613 davidson 5 10 |r|= 9.92 e= [-0.80144762 9.40212493] max|de|= 9.4 lindep= 0.184 davidson 6 12 |r|= 8.56 e= [12.7901674 23.94855606] max|de|= 23.9 lindep= 0.137 Old state -> New state 0 -> 1 davidson 7 14 |r|= 0.497 e= [1.07278653 1.92622984] max|de|= -11.7 lindep= 0.242 davidson 8 16 |r|= 0.202 e= [0.98024661 2.06957245] max|de|= 0.143 lindep= 0.091 davidson 9 18 |r|= 0.0618 e= [0.98643562 2.10048729] max|de|= 0.0309 lindep= 0.0201 davidson 10 20 |r|= 0.0587 e= [0.99199459 2.0897071 ] max|de|= -0.0108 lindep= 0.00619 davidson 11 22 |r|= 0.0538 e= [0.99750359 2.05302372] max|de|= -0.0367 lindep= 0.0169 davidson 12 24 |r|= 0.0535 e= [0.99970039 2.01364014] max|de|= -0.0394 lindep= 0.00837 davidson 13 26 |r|= 0.0231 e= [0.99998354 2.00128937] max|de|= -0.0124 lindep= 0.00369 davidson 14 2 |r|= 0.0231 e= [0.99998354 2.00128937] max|de|= -4.49e-13 lindep= 0.994 Old state -> New state 0 -> 1 davidson 15 4 |r|= 12.8 e= [-128.63978738 1.00006399] max|de|= -130 lindep= 0.000536 Old state -> New state 1 -> 0 0 -> 1 davidson 16 6 |r|= 0.00607 e= [1.00000839 2.00012679] max|de|= 131 lindep= 0.000816 davidson 17 8 |r|= 0.00508 e= [1.00001875 1.99988462] max|de|= -0.000242 lindep= 0.000294 davidson 18 10 |r|= 0.00509 e= [0.99999936 2.00011443] max|de|= 0.00023 lindep= 0.000548 davidson 19 12 |r|= 0.00323 e= [1.00001144 1.99997817] max|de|= -0.000136 lindep= 0.000239 davidson 20 14 |r|= 0.00327 e= [1.00000686 1.99995994] max|de|= -1.82e-05 lindep= 0.000298 davidson 21 16 |r|= 0.00213 e= [1.00001221 1.99989223] max|de|= -6.77e-05 lindep= 0.000143 davidson 22 18 |r|= 0.00141 e= [1.00003009 1.99959994] max|de|= -0.000292 lindep= 0.00011 davidson 23 20 |r|= 0.00116 e= [1.00001833 1.99970235] max|de|= 0.000102 lindep= 3.48e-05 davidson 24 22 |r|= 0.0011 e= [1.00000173 1.99989816] max|de|= 0.000196 lindep= 7.62e-05 davidson 25 24 |r|= 0.000741 e= [0.99998866 2.00003012] max|de|= 0.000132 lindep= 4.53e-05 root 0 converged |r|= 4.41e-05 e= 0.9999883396003311 max|de|= -3.23e-07 davidson 26 26 |r|= 0.00075 e= [0.99998834 2.00012249] max|de|= 9.24e-05 lindep= 0.000693 root 1 converged |r|= 0.00075 e= 2.000122487795307 max|de|= 6e-14 converged 27 2 |r|= 0.00075 e= [0.99998834 2.00012249] max|de|= 6e-14 ...... pyscf/lib/test/test_misc.py ....... pyscf/lib/test/test_numint_uniform_grid.py ....................... pyscf/lib/test/test_numpy_helper.py ..................... pyscf/lib/test/test_scipy_helper.py ...... pyscf/lib/vhf/test/test_nr_direct.py .... pyscf/lo/test/test_cholesky.py ... pyscf/lo/test/test_iao.py output file: /dev/null . pyscf/lo/test/test_ibo.py output file: /dev/null .Overwritten attributes atomic_pops of . pyscf/lo/test/test_localizer.py output file: /dev/null ....... pyscf/lo/test/test_nao.py ... pyscf/lo/test/test_orth.py ...... pyscf/lo/test/test_pipek.py output file: /dev/null .. pyscf/lo/test/test_vvo.py output file: /dev/null ... pyscf/mcpdft/test/test_cmspdft.py ... pyscf/mcpdft/test/test_diatomic_energies.py ......... pyscf/mcpdft/test/test_lpdft.py ....... pyscf/mcpdft/test/test_mcpdft.py ........converged SCF energy = -0.745871793035567 CASSCF energy = -0.745871793035567 CASCI E = -0.745871793035567 E(CI) = -1.27504900395557 S^2 = 2.0000000 MC-PDFT state 0 E = -0.7470290393938751, Eot(tPBE) = -0.8376844530798241 ....... pyscf/mcpdft/test/test_mgga.py ......... pyscf/mcpdft/test/test_mspdft.py .... pyscf/mcpdft/test/test_otfnal.py ... pyscf/mcpdft/test/test_otpd.py .. pyscf/mcpdft/test/test_pdft_feff.py .... pyscf/mcpdft/test/test_pdft_veff.py .. pyscf/mcpdft/test/test_spingaps_atoms.py . pyscf/mcpdft/test/test_xmspdft.py ... pyscf/mcscf/test/test_addons.py output file: /dev/null ...converged SCF energy = -112.082590552836 E(RMP2) = -112.306856460794 E_corr = -0.224265907958677 E(SCS-RMP2) = -112.299038991277 E_corr = -0.216448438441428 CASCI E = -112.226000328573 E(CI) = -31.8210633219191 S^2 = 0.0000000 E(RCISD) = -112.2875211579919 E_corr = -0.2049306051563673 CASCI E = -112.229969220443 E(CI) = -31.8074519986598 S^2 = 0.0000000 E(CCSD) = -112.3000900510283 E_corr = -0.2174994981927339 CASCI E = -112.229927751357 E(CI) = -31.8065699825304 S^2 = 0.0000000 .converged SCF energy = -148.766722176949 = 2.0191588 2S+1 = 3.0127455 E(UMP2) = -149.005501433402 E_corr = -0.238779256452784 E(SCS-UMP2) = -148.98466883231 E_corr = -0.217946655360828 CASCI E = -148.862413069138 E(CI) = -47.1269370987078 S^2 = 2.0000000 E(UCISD) = -148.9872768082646 E_corr = -0.2205546313157953 CASCI E = -148.863408888946 E(CI) = -47.1038204078906 S^2 = 2.0000000 E(UCCSD) = -148.9994381955187 E_corr = -0.2327160185699342 CASCI E = -148.863468765227 E(CI) = -47.1044628975585 S^2 = 2.0000000 ....................... pyscf/mcscf/test/test_apc.py converged SCF energy = -77.3553819527405 ** APC Active Space Selection ** Calculating APC entropies (N=2)... ROHF object found. APC uses summed K Transforming F and K to MO basis... Calculating initial APC entropies... Maximum entropy: 0.30982 Setting maximum virtual orbitals [np.int64(8)] to occupation 1... Calculating APC entropies (Round 1)... Maximum entropy: 0.22509 Setting maximum virtual orbitals [np.int64(8), np.int64(10)] to occupation 1... Calculating final APC entropies... Maximum entropy: 0.20153 Choosing active space with ranked orbital approach (max_size = (10, 10))... Singly occupied orbitals found, setting them to have entropy of max + 0.01... Initial active space of (15,24) has size 78564646600.0 Maximum active space size set to 19404.0 Active space of (15,24) has size 78564646600.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 0 (occ=2, S=0.0046)... Orbital has been dropped Active space of (13,23) has size 8249287893.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 1 (occ=2, S=0.0046)... Orbital has been dropped Active space of (11,22) has size 717329382.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 22 (occ=0, S=0.0452)... Orbital has been dropped Active space of (11,21) has size 408282336.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 15 (occ=0, S=0.0517)... Orbital has been dropped Active space of (11,20) has size 225350640.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 19 (occ=0, S=0.0552)... Orbital has been dropped Active space of (11,19) has size 120187008.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 23 (occ=0, S=0.059)... Orbital has been dropped Active space of (11,18) has size 61674912.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 16 (occ=0, S=0.0655)... Orbital has been dropped Active space of (11,17) has size 30296448.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 21 (occ=0, S=0.0666)... Orbital has been dropped Active space of (11,16) has size 14158144.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 20 (occ=0, S=0.0669)... Orbital has been dropped Active space of (11,15) has size 6246240.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 17 (occ=0, S=0.069)... Orbital has been dropped Active space of (11,14) has size 2576574.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 14 (occ=0, S=0.0693)... Orbital has been dropped Active space of (11,13) has size 981552.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 13 (occ=0, S=0.0695)... Orbital has been dropped Active space of (11,12) has size 339768.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 11 (occ=0, S=0.0724)... Orbital has been dropped Active space of (11,11) has size 104544.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 12 (occ=0, S=0.0772)... Orbital has been dropped Active space of (11,10) has size 27720.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 18 (occ=0, S=0.0809)... Orbital has been dropped Final selected active space: ((6, 5),9) converged SCF energy = -77.3649789551276 = 1.0142152 2S+1 = 2.2487465 ** APC Active Space Selection ** Calculating APC entropies (N=2)... UHF object found. APC uses averaged F, summed K, summed occupation, and alpha orbitals. Transforming F and K to MO basis... Calculating initial APC entropies... Maximum entropy: 0.41627 Setting maximum virtual orbitals [np.int64(8)] to occupation 1... Calculating APC entropies (Round 1)... Maximum entropy: 0.24779 Setting maximum virtual orbitals [np.int64(8), np.int64(10)] to occupation 1... Calculating final APC entropies... Maximum entropy: 0.22345 Choosing active space with ranked orbital approach (max_size = (10, 10))... Singly occupied orbitals found, setting them to have entropy of max + 0.01... Initial active space of (15,24) has size 78564646600.0 Maximum active space size set to 19404.0 Active space of (15,24) has size 78564646600.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 0 (occ=2, S=0.0047)... Orbital has been dropped Active space of (13,23) has size 8249287893.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 1 (occ=2, S=0.0047)... Orbital has been dropped Active space of (11,22) has size 717329382.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 22 (occ=0, S=0.0465)... Orbital has been dropped Active space of (11,21) has size 408282336.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 19 (occ=0, S=0.0564)... Orbital has been dropped Active space of (11,20) has size 225350640.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 23 (occ=0, S=0.0595)... Orbital has been dropped Active space of (11,19) has size 120187008.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 16 (occ=0, S=0.0613)... Orbital has been dropped Active space of (11,18) has size 61674912.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 15 (occ=0, S=0.062)... Orbital has been dropped Active space of (11,17) has size 30296448.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 14 (occ=0, S=0.0653)... Orbital has been dropped Active space of (11,16) has size 14158144.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 20 (occ=0, S=0.0666)... Orbital has been dropped Active space of (11,15) has size 6246240.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 13 (occ=0, S=0.0701)... Orbital has been dropped Active space of (11,14) has size 2576574.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 21 (occ=0, S=0.0702)... Orbital has been dropped Active space of (11,13) has size 981552.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 12 (occ=0, S=0.0813)... Orbital has been dropped Active space of (11,12) has size 339768.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 11 (occ=0, S=0.0817)... Orbital has been dropped Active space of (11,11) has size 104544.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 18 (occ=0, S=0.0821)... Orbital has been dropped Active space of (11,10) has size 27720.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 17 (occ=0, S=0.0835)... Orbital has been dropped Final selected active space: ((6, 5),9) .converged SCF energy = -75.9838934605484 ** APC Active Space Selection ** Calculating APC entropies (N=2)... Transforming F and K to MO basis... Calculating initial APC entropies... Maximum entropy: 0.1657 Setting maximum virtual orbitals [np.int64(8)] to occupation 1... Calculating APC entropies (Round 1)... Maximum entropy: 0.14617 Setting maximum virtual orbitals [np.int64(8), np.int64(5)] to occupation 1... Calculating final APC entropies... Maximum entropy: 0.12146 Choosing active space with ranked orbital approach (max_size = (10, 10))... Initial active space of (10,13) has size 429429.0 Maximum active space size set to 19404.0 Active space of (10,13) has size 429429.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 0 (occ=2, S=0.0014)... Orbital has been dropped Active space of (8,12) has size 70785.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 12 (occ=0, S=0.0451)... Orbital has been dropped Active space of (8,11) has size 32670.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 7 (occ=0, S=0.0536)... Orbital has been dropped Final selected active space: ((4, 4),10) ** APC Active Space Selection ** Calculating APC entropies (N=2)... Transforming F and K to MO basis... Calculating initial APC entropies... Maximum entropy: 0.1657 Setting maximum virtual orbitals [np.int64(8)] to occupation 1... Calculating APC entropies (Round 1)... Maximum entropy: 0.14617 Setting maximum virtual orbitals [np.int64(8), np.int64(5)] to occupation 1... Calculating final APC entropies... Maximum entropy: 0.12146 Choosing active space with ranked orbital approach (max_size = 12)... Initial active space of (10,13) has size 13 Maximum active space size set to 12 Active space of (10,13) has size 13 larger than 12 Dropping lowest entropy orbital... Attempting to drop orbital 0 (occ=2, S=0.0014)... Orbital has been dropped Final selected active space: ((4, 4),12) ** APC Active Space Selection ** Calculating APC entropies (N=2)... Transforming F and K to MO basis... Calculating initial APC entropies... Maximum entropy: 0.1657 Setting maximum virtual orbitals [np.int64(8)] to occupation 1... Calculating APC entropies (Round 1)... Maximum entropy: 0.14617 Setting maximum virtual orbitals [np.int64(8), np.int64(5)] to occupation 1... Calculating final APC entropies... Maximum entropy: 0.12146 Choosing active space with ranked orbital approach (max_size = (8, 8))... Fixed selection of AS size (8,8)... Final selected active space: ((4, 4),8) ** APC Active Space Selection ** Calculating APC entropies (N=0)... Transforming F and K to MO basis... Calculating initial APC entropies... Calculating final APC entropies... Maximum entropy: 0.1657 Choosing active space with ranked orbital approach (max_size = (2, 2))... Initial active space of (10,13) has size 429429.0 Maximum active space size set to 3.0 Active space of (10,13) has size 429429.0 larger than 3.0 Dropping lowest entropy orbital... Attempting to drop orbital 0 (occ=2, S=0.0018)... Orbital has been dropped Active space of (8,12) has size 70785.0 larger than 3.0 Dropping lowest entropy orbital... Attempting to drop orbital 12 (occ=0, S=0.0451)... Orbital has been dropped Active space of (8,11) has size 32670.0 larger than 3.0 Dropping lowest entropy orbital... Attempting to drop orbital 7 (occ=0, S=0.0536)... Orbital has been dropped Active space of (8,10) has size 13860.0 larger than 3.0 Dropping lowest entropy orbital... Attempting to drop orbital 10 (occ=0, S=0.0684)... Orbital has been dropped Active space of (8,9) has size 5292.0 larger than 3.0 Dropping lowest entropy orbital... Attempting to drop orbital 11 (occ=0, S=0.0687)... Orbital has been dropped Active space of (8,8) has size 1764.0 larger than 3.0 Dropping lowest entropy orbital... Attempting to drop orbital 1 (occ=2, S=0.0774)... Orbital has been dropped Active space of (6,7) has size 490.0 larger than 3.0 Dropping lowest entropy orbital... Attempting to drop orbital 9 (occ=0, S=0.0928)... Orbital has been dropped Active space of (6,6) has size 175.0 larger than 3.0 Dropping lowest entropy orbital... Attempting to drop orbital 6 (occ=0, S=0.0956)... Orbital has been dropped Active space of (6,5) has size 50.0 larger than 3.0 Dropping lowest entropy orbital... Attempting to drop orbital 5 (occ=0, S=0.0964)... Orbital has been dropped Active space of (6,4) has size 10.0 larger than 3.0 Dropping lowest entropy orbital... Attempting to drop orbital 8 (occ=0, S=0.1015)... Active space is not reasonable! Nactel: 6.0, Nactorbs: 3, Num OS: 0 Condition 2 not met Active space becomes unreasonable if this orbital is dropped, trying next option... Attempting to drop orbital 2 (occ=2, S=0.1317)... Orbital has been dropped Active space of (4,3) has size 6.0 larger than 3.0 Dropping lowest entropy orbital... Attempting to drop orbital 8 (occ=0, S=0.1015)... Active space is not reasonable! Nactel: 4.0, Nactorbs: 2, Num OS: 0 Condition 2 not met Active space becomes unreasonable if this orbital is dropped, trying next option... Attempting to drop orbital 3 (occ=2, S=0.1544)... Orbital has been dropped Final selected active space: ((1, 1),2) Initial active space of (10,13) has size 429429.0 Maximum active space size set to 1764.0 Active space of (10,13) has size 429429.0 larger than 1764.0 Dropping lowest entropy orbital... Attempting to drop orbital 0 (occ=2, S=0)... Orbital has been dropped Active space of (8,12) has size 70785.0 larger than 1764.0 Dropping lowest entropy orbital... Attempting to drop orbital 12 (occ=0, S=1)... Orbital has been dropped Active space of (8,11) has size 32670.0 larger than 1764.0 Dropping lowest entropy orbital... Attempting to drop orbital 3 (occ=2, S=2)... Orbital has been dropped Active space of (6,10) has size 4950.0 larger than 1764.0 Dropping lowest entropy orbital... Attempting to drop orbital 5 (occ=0, S=3)... Orbital has been dropped Active space of (6,9) has size 2520.0 larger than 1764.0 Dropping lowest entropy orbital... Attempting to drop orbital 6 (occ=0, S=4)... Orbital has been dropped Final selected active space: ((3, 3),8) converged SCF energy = -75.8180359048882 ** APC Active Space Selection ** Calculating APC entropies (N=2)... Transforming F and K to MO basis... Calculating initial APC entropies... Maximum entropy: 0.18606 Setting maximum virtual orbitals [np.int64(6)] to occupation 1... Calculating APC entropies (Round 1)... Maximum entropy: 0.1518 Setting maximum virtual orbitals [np.int64(6), np.int64(5)] to occupation 1... Calculating final APC entropies... Maximum entropy: 0.11265 Choosing active space with ranked orbital approach (max_size = (10, 10))... Initial active space of (10,13) has size 429429.0 Maximum active space size set to 19404.0 Active space of (10,13) has size 429429.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 0 (occ=2, S=0.0015)... Orbital has been dropped Active space of (8,12) has size 70785.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 12 (occ=0, S=0.045)... Orbital has been dropped Active space of (8,11) has size 32670.0 larger than 19404.0 Dropping lowest entropy orbital... Attempting to drop orbital 7 (occ=0, S=0.0517)... Orbital has been dropped Final selected active space: ((4, 4),10) . pyscf/mcscf/test/test_avas.py output file: /dev/null . pyscf/mcscf/test/test_c2h4.py output file: /dev/null ... pyscf/mcscf/test/test_casci.py output file: /dev/null output file: /dev/null .converged SCF energy = -54.3884142370103 WARN: Wave-function symmetry for SO3 not supported. Wfn symmetry is mapped to D2h/C2v group. WARN: mwfnsym Id 4 not found in group SO3. This might be caused by the projection from high-symmetry group to D2h symmetry. CASSCF energy = -54.3884142370103 CASCI E = -54.3884142370103 E(CI) = -9.65585922972874 S^2 = 3.7500000 .WARN: Mulitple states found in CASCI solver. First state is used to compute the Fock matrix and natural orbitals in active space. WARN: Mulitple states found in CASCI/CASSCF solver. Density matrix of the first state is generated in .analyze() function. ....WARN: Mulitple states found in CASCI solver. First state is used to compute the Fock matrix and natural orbitals in active space. WARN: Mulitple states found in CASCI/CASSCF solver. Density matrix of the first state is generated in .analyze() function. .WARN: mc1step_symm symmetrizes input orbitals ..WARN: mc1step_symm symmetrizes input orbitals ...... pyscf/mcscf/test/test_h2o.py output file: /dev/null output file: /dev/null ...WARN: SO-CASSCF (Second order CASSCF) is an experimental feature. Its performance is bad for large systems. ..WARN: SO-CASSCF (Second order CASSCF) is an experimental feature. Its performance is bad for large systems. ..WARN: SO-CASSCF (Second order CASSCF) is an experimental feature. Its performance is bad for large systems. ..WARN: SO-CASSCF (Second order CASSCF) is an experimental feature. Its performance is bad for large systems. . pyscf/mcscf/test/test_mc1step.py ...................... pyscf/mcscf/test/test_mcao2mo.py output file: /dev/null .WARN: system HOMO -0.47846139354619 >= system LUMO -0.47846139354619 output file: /dev/null . pyscf/mcscf/test/test_n2.py output file: /dev/null output file: /dev/null ...........WARN: SO-CASSCF (Second order CASSCF) is an experimental feature. Its performance is bad for large systems. .WARN: SO-CASSCF (Second order CASSCF) is an experimental feature. Its performance is bad for large systems. ... pyscf/mcscf/test/test_n2_df.py output file: /dev/null output file: /dev/null ................. pyscf/mcscf/test/test_newton_casscf.py WARN: SO-CASSCF (Second order CASSCF) is an experimental feature. Its performance is bad for large systems. WARN: HOMO -0.0931797107742214 == LUMO -0.0925136982211491 WARN: SO-CASSCF (Second order CASSCF) is an experimental feature. Its performance is bad for large systems. WARN: SO-CASSCF (Second order CASSCF) is an experimental feature. Its performance is bad for large systems. output file: /dev/null output file: /dev/null ..... pyscf/mcscf/test/test_ucasci.py WARN: system HOMO 0.123994959437268 >= system LUMO -0.474582388935663 WARN: alpha-A1 HOMO 0.123994959437267 > system LUMO -0.474582388935663 WARN: alpha-B1 HOMO -0.474582388935663 > system LUMO -0.474582388935663 WARN: beta-A1 LUMO 0.123994959437267 < system HOMO 0.123994959437267 output file: /dev/null output file: /dev/null ...WARN: Mulitple states found in UCASCI solver. Density matrix of first state is generated in .analyze() function. ... pyscf/mcscf/test/test_umc1step.py WARN: system HOMO 0.123994959437271 >= system LUMO -0.474582388935664 output file: /dev/null converged SCF energy = -2.83567987364057 = 0 2S+1 = 1 UCASSCF energy = -2.85057669964974 UCASCI E = -2.85057669964974 E(CI) = -2.85057669964974 S^2 = 0.0000000 UCASSCF energy = -2.83567987364057 UCASCI E = -2.83567987364057 E(CI) = -2.83567987364057 S^2 = 0.0000000 UCASSCF energy = -2.83567987364057 UCASCI E = -2.83567987364057 E(CI) = 0 S^2 = 0.0000000 ......... pyscf/md/test/test_NVTBerendson.py WARN: Mole.unit (angstrom) is changed to B output file: /dev/null . pyscf/md/test/test_distributions.py . pyscf/md/test/test_prop.py output file: /dev/null output file: /dev/null .. pyscf/md/test/test_velocverlet.py WARN: Mole.unit (angstrom) is changed to B output file: /dev/null output file: /dev/null .WARN: Mole.unit (angstrom) is changed to B .WARN: Mole.unit (ANG) is changed to B . pyscf/mp/test/test_dfmp2.py output file: /dev/null ..WARN: DF-HF is found. (ia|jb) is computed based on the DF 3-tensor integrals. You can switch to dfmp2.MP2 for better performance .WARN: PBC mean-field does not support direct DFMP2. Caching AO 3c integrals now. WARN: Overwritting j3c in /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscftmpdir/tmputazs4c0. output file: /dev/null .... pyscf/mp/test/test_dfmp2_native.py ............... pyscf/mp/test/test_dfump2.py WARN: system HOMO -0.476818251418645 >= system LUMO -0.476818251418645 WARN: system HOMO -0.476751467460372 >= system LUMO -0.476751467460372 output file: /dev/null ..WARN: UMP2 detected DF being used in the HF object. MO integrals are computed based on the DF 3-index tensors. It's recommended to use DF-UMP2 module. .WARN: PBC mean-field does not support direct DFMP2. Caching AO 3c integrals now. WARN: Overwritting j3c in /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscftmpdir/tmpa_y1alm8. output file: /dev/null .... pyscf/mp/test/test_dfump2_native.py ............. pyscf/mp/test/test_f12.py . pyscf/mp/test/test_gmp2.py WARN: system HOMO 0.123994959437271 >= system LUMO -0.474582388935663 output file: /dev/null ....Overwritten attributes ao2mo of .... pyscf/mp/test/test_mp2.py output file: /dev/null converged SCF energy = -0.466581849557275 WARN: RMP2 method does not support ROHF method. ROHF object is converted to UHF object and UMP2 method is called. WARN: RMP2 method does not support ROHF method. ROHF object is converted to UHF object and UMP2 method is called. WARN: RMP2 method does not support ROHF method. ROHF object is converted to UHF object and UMP2 method is called. .WARN: Not enough memory for integral transformation. Available mem 0 MB, required mem 0.10108 MB ..WARN: Not enough memory for integral transformation. Available mem 0 MB, required mem 0.04332 MB WARN: Not enough memory for integral transformation. Available mem 0 MB, required mem 0.04332 MB WARN: Not enough memory for integral transformation. Available mem 0 MB, required mem 0.04332 MB ...WARN: Not enough memory for integral transformation. Available mem 0 MB, required mem 0.10108 MB .WARN: Not enough memory for integral transformation. Available mem 0 MB, required mem 0.012288 MB ..Overwritten attributes ao2mo of WARN: DF-HF is found. (ia|jb) is computed based on the DF 3-tensor integrals. You can switch to dfmp2.MP2 for better performance .WARN: DF-HF is found. (ia|jb) is computed based on the DF 3-tensor integrals. You can switch to dfmp2.MP2 for better performance .... pyscf/mp/test/test_ump2.py WARN: system HOMO 0.100626554688218 >= system LUMO -0.476818251418643 WARN: system HOMO 0.100626554688216 >= system LUMO -0.476818251418644 output file: /dev/null ........Overwritten attributes ao2mo of WARN: UMP2 detected DF being used in the HF object. MO integrals are computed based on the DF 3-index tensors. It's recommended to use DF-UMP2 module. .WARN: UMP2 detected DF being used in the HF object. MO integrals are computed based on the DF 3-index tensors. It's recommended to use DF-UMP2 module. . pyscf/mrpt/test/test_nevpt2.py WARN: Singularity detected in overlap matrix (condition number = 11.2). SCF may be inaccurate and hard to converge. output file: /dev/null .........Warning: must be initialized before calling SCF. Initialize in .converged SCF energy = -75.5982536370609 CASSCF energy = -75.7956510716014 CASCI E = -75.7956510716014 E(CI) = -20.2461903117031 S^2 = 0.0000000 CASCI state-averaged energy = -75.7956510716014 CASCI energy for each state State 0 weight 0.5 E = -75.813197321219 S^2 = 0.0000000 State 1 weight 0.5 E = -75.7781048219839 S^2 = 0.0000000 WARN: Mulitple states found in CASCI solver. First state is used to compute the Fock matrix and natural orbitals in active space. CASCI state 0 E = -75.8131973212382 E(CI) = -20.2637365613399 S^2 = 0.0000000 CASCI state 1 E = -75.7781048220073 E(CI) = -20.2286440621090 S^2 = 0.0000000 Sr (-1)', E = -0.01606952661811 Si (+1)', E = -0.00000216319999 Sijrs (0) , E = -0.00019249170258 Sijr (+1) , E = -0.00007143417899 Srsi (-1) , E = -0.00041881987576 Srs (-2) , E = -0.03696070012972 Sij (+2) , E = -0.00000418152588 Sir (0)' , E = -0.00025525995867 Nevpt2 Energy = -0.053974577189707 Sr (-1)', E = -0.01302922228704 Si (+1)', E = -0.00000195513560 Sijrs (0) , E = -0.00019253933324 Sijr (+1) , E = -0.00006992244724 Srsi (-1) , E = -0.00042339666019 Srs (-2) , E = -0.03638413890329 Sij (+2) , E = -0.00000240828694 Sir (0)' , E = -0.00026022066879 Nevpt2 Energy = -0.050363803722337 .. pyscf/nac/test/test_cmspdft.py ...... pyscf/nac/test/test_sacasscf.py ...... pyscf/pbc/adc/test/test_ground_state_energy.py .MPn: -0.020957664336199708 . pyscf/pbc/adc/test/test_k_ea.py MPn: -0.02095766433619953 . pyscf/pbc/adc/test/test_k_ip.py MPn: -0.020957664336199503 .MPn: -0.02171774446306434 . pyscf/pbc/adc/test/test_k_vs_supercell_ea.py .MPn: -0.020957664336199392 .MPn: -0.020957664336199392 .MPn: -0.02083666848409091 . pyscf/pbc/adc/test/test_k_vs_supercell_ip.py .MPn: -0.020957664336199965 .MPn: -0.020957664336199965 .MPn: -0.020836668484091523 . pyscf/pbc/adc/test/test_kadc.py WARN: Even tempered Gaussians are generated as DF auxbasis for C output file: /dev/null MPn: -0.11464818991028829 MPn: -0.11464818991028829 MPn: -0.11464818991028829 MPn: -0.00353211867218929 . pyscf/pbc/cc/test/test_eom_kgccsd.py WARN: HOMO 1.08912682984 == LUMO 1.0891268972 does not have attributes kpts khelper does not have attributes kpts nonzero_opadding kconserv nonzero_vpadding does not have attributes kpts kconserv converged nonzero_opadding nonzero_vpadding does not have attributes kpts nonzero_opadding kconserv nonzero_vpadding does not have attributes kpts kconserv converged nonzero_opadding nonzero_vpadding does not have attributes kpts debug_vals kconserv output file: /dev/null output file: /dev/null kshift = 0 tol 1e-07 toloose 0.000316228 max_cycle 50 max_space 32 max_memory 4000 incore True davidson 0 3 |r|= 0.201 e= [0.15031628 0.15031632 0.15043034] max|de|= 0.15 lindep= 1 Old state -> New state 2 -> 0 0 -> 1 1 -> 2 davidson 1 6 |r|= 0.0388 e= [0.12031718 0.12901652 0.12902188] max|de|= -0.0301 lindep= 0.948 Old state -> New state 2 -> 1 1 -> 2 davidson 2 9 |r|= 0.0113 e= [0.11905133 0.12830293 0.12830375] max|de|= -0.00127 lindep= 0.642 davidson 3 12 |r|= 0.013 e= [0.11866043 0.12830581 0.12830724] max|de|= -0.000391 lindep= 0.693 Old state -> New state 2 -> 1 1 -> 2 davidson 4 15 |r|= 0.00471 e= [0.11831032 0.12828314 0.12828439] max|de|= -0.00035 lindep= 0.735 Old state -> New state 2 -> 1 1 -> 2 davidson 5 18 |r|= 0.0018 e= [0.11831683 0.12827882 0.12828519] max|de|= 6.5e-06 lindep= 0.583 Old state -> New state 1 -> 2 davidson 6 21 |r|= 0.0916 e= [0.11831504 0.1252454 0.12826628] max|de|= 0.125 lindep= 0.512 davidson 7 24 |r|= 0.0192 e= [0.11830238 0.1186958 0.12828553] max|de|= 0.128 lindep= 0.632 davidson 8 27 |r|= 0.00566 e= [0.11830162 0.11832595 0.12828534] max|de|= -0.00037 lindep= 0.623 root 2 converged |r|= 3.59e-06 e= 0.12828533992043978 max|de|= 2.39e-09 davidson 9 30 |r|= 0.00116 e= [0.11830189 0.11830515 0.12828534] max|de|= -2.08e-05 lindep= 0.78 root 0 converged |r|= 1.43e-05 e= 0.11830188749975871 max|de|= -1.11e-16 davidson 10 3 |r|= 0.00116 e= [0.11830189 0.11830515 0.12828534] max|de|= -3.89e-16 lindep= 0.999 davidson 11 4 |r|= 0.000342 e= [0.11830189 0.1183021 0.12828534] max|de|= -3.04e-06 lindep= 0.92 root 1 converged |r|= 0.000214 e= 0.11830200398451805 max|de|= -9.69e-08 converged 12 5 |r|= 0.000214 e= [0.11830189 0.118302 0.12828534] max|de|= -9.69e-08 does not have attributes converged kpts debug_vals kconserv kshift = 1 tol 1e-07 toloose 0.000316228 max_cycle 50 max_space 32 max_memory 4000 incore True davidson 0 3 |r|= 0.209 e= [0.10702993 0.10702993 0.12781992] max|de|= 0.128 lindep= 0.739 Old state -> New state 1 -> 0 0 -> 1 davidson 1 6 |r|= 0.12 e= [0.0795431 0.07954312 0.09259079] max|de|= -0.0352 lindep= 0.884 Old state -> New state 1 -> 0 0 -> 1 davidson 2 9 |r|= 0.039 e= [0.07933039 0.07933039 0.08114769] max|de|= -0.0114 lindep= 0.496 davidson 3 12 |r|= 0.0186 e= [0.07928074 0.07928074 0.07967958] max|de|= -0.00147 lindep= 0.581 Old state -> New state 1 -> 0 0 -> 1 davidson 4 15 |r|= 0.00833 e= [0.0792803 0.0792803 0.0794071] max|de|= -0.000272 lindep= 0.919 Old state -> New state 2 -> 0 0 -> 1 1 -> 2 root 1 converged |r|= 1.11e-05 e= 0.07928025996402048 max|de|= -3.79e-08 root 2 converged |r|= 1.11e-05 e= 0.07928025997514843 max|de|= -3.8e-08 davidson 5 18 |r|= 0.00148 e= [0.07926525 0.07928026 0.07928026] max|de|= -0.000142 lindep= 0.928 Old state -> New state 1 -> 0 2 -> 1 0 -> 2 davidson 6 19 |r|= 0.000209 e= [0.07928026 0.07928026 0.07928047] max|de|= 1.52e-05 lindep= 0.908 Old state -> New state 2 -> 0 0 -> 1 1 -> 2 davidson 7 20 |r|= 3.17e-05 e= [0.0792802 0.07928026 0.07928026] max|de|= -2.72e-07 lindep= 0.874 root 0 converged |r|= 6.99e-06 e= 0.07928025295347196 max|de|= 5.67e-08 converged 8 21 |r|= 1.11e-05 e= [0.07928025 0.07928026 0.07928026] max|de|= 5.67e-08 . does not have attributes kpts nonzero_opadding kconserv nonzero_vpadding does not have attributes kpts kconserv converged nonzero_opadding nonzero_vpadding does not have attributes kpts nonzero_opadding kconserv nonzero_vpadding does not have attributes kpts kconserv converged nonzero_opadding nonzero_vpadding output file: /dev/null ..output file: /dev/null . pyscf/pbc/cc/test/test_eom_kgccsd_diag.py output file: /dev/null ... pyscf/pbc/cc/test/test_eom_krccsd.py WARN: HOMO 1.08912682984 == LUMO 1.0891268972 output file: /dev/null .. does not have attributes kpts nonzero_opadding kconserv nonzero_vpadding does not have attributes kpts nonzero_opadding kconserv nonzero_vpadding does not have attributes kpts kconserv converged nonzero_opadding nonzero_vpadding does not have attributes kpts kconserv converged nonzero_opadding nonzero_vpadding . does not have attributes kpts nonzero_opadding kconserv nonzero_vpadding does not have attributes kpts nonzero_opadding kconserv nonzero_vpadding ... does not have attributes kpts debug_vals kconserv does not have attributes converged kpts debug_vals kconserv output file: /dev/null kshift = 0 kshift = 1 kshift = 0 kshift = 1 . pyscf/pbc/cc/test/test_eom_kuccsd.py WARN: HOMO 1.08912682984 == LUMO 1.0891268972 output file: /dev/null . does not have attributes kpts nonzero_opadding kconserv nonzero_vpadding does not have attributes kpts nonzero_opadding kconserv nonzero_vpadding .. pyscf/pbc/cc/test/test_eom_kuccsd_diag.py converged SCF energy = -3.88042270970072 E(KUCCSD) = -3.890869513937988 E_corr = -0.01044680423726728 .converged SCF energy = -3.88042270970072 E(KUCCSD) = -3.890869513937989 E_corr = -0.01044680423726727 .converged SCF energy = -3.88042270970072 E(KUCCSD) = -3.890869513937988 E_corr = -0.01044680423726727 .converged SCF energy = -3.88042270970072 E(KUCCSD) = -3.890869513937989 E_corr = -0.01044680423726727 .converged SCF energy = -4.27149921464943 E(KUCCSD) = -4.281815097481227 E_corr = -0.01031588283179309 .converged SCF energy = -4.27149921464943 E(KUCCSD) = -4.281815097481227 E_corr = -0.01031588283179309 . pyscf/pbc/cc/test/test_kccsd_ksymm.py WARN: Even tempered Gaussians are generated as DF auxbasis for He output file: /dev/null .. pyscf/pbc/cc/test/test_kgccsd.py output file: /dev/null output file: /dev/null .output file: /dev/null .output file: /dev/null .WARN: Singularity detected in overlap matrix (condition number = 1.63e+05). SCF may be inaccurate and hard to converge. output file: /dev/null .output file: /dev/null .output file: /dev/null ..WARN: HOMO-LUMO gap 0.0 too small for KCCSD. May cause issues in convergence. WARN: HOMO-LUMO gap 0.0 too small for KCCSD. May cause issues in convergence. .WARN: HOMO-LUMO gap 0.0 too small for KCCSD. May cause issues in convergence. ... pyscf/pbc/cc/test/test_krccsd.py WARN: Even tempered Gaussians are generated as DF auxbasis for He output file: /dev/null .output file: /dev/null .output file: /dev/null .output file: /dev/null .output file: /dev/null ......output file: /dev/null .WARN: Non-zero imaginary part of CCSD(T) energy was found -48.89126358639412 WARN: Non-zero imaginary part of CCSD(T) energy was found -48.89126358639412 .. pyscf/pbc/cc/test/test_krccsd_gamma.py output file: /dev/null .output file: /dev/null .output file: /dev/null .output file: /dev/null . pyscf/pbc/cc/test/test_kuccsd.py ...WARN: Even tempered Gaussians are generated as DF auxbasis for H output file: /dev/null .... WARN: Non-zero imaginary part found in KCCSD energy (0.30457911843194546-0.03415415341485643j) WARN: Non-zero imaginary part found in KCCSD energy (0.3045791184319451-0.03415415341485624j) . pyscf/pbc/cc/test/test_kuccsd_openshell.py UHF energy (supercell) -1.003789445 UCCSD correlation energy (supercell) -0.029056542 UHF energy (kpts) -1.003789445 UCCSD correlation energy (kpts) -0.029056541 . pyscf/pbc/cc/test/test_rccsd_t_shift.py WARN: Even tempered Gaussians are generated as DF auxbasis for O H converged SCF energy = -16.8936587567774 E(RCCSD) = -17.10189047801174 E_corr = -0.2082317212343302 RCCSD(T) correction = -0.00337168943189488 WARN: Even tempered Gaussians are generated as DF auxbasis for O H converged SCF energy = -16.8936587567774 E(RCCSD) = -17.10189047801175 E_corr = -0.2082317212343274 RCCSD(T) correction = -0.00337168943189487 . pyscf/pbc/ci/test/test_ci.py converged SCF energy = -3.78491506863179 kshift = 0 kshift = 1 ...WARN: Even tempered Gaussians are generated as DF auxbasis for He output file: /dev/null ******** ******** nkpts = 2 CIS nocc = 2, nmo = 4 max_memory 4000 MB (current use 756 MB) using incore ERI storage CPU time for CIS integral transformation 0.06 sec, wall time 0.05 sec kshift = 0 tol 1e-07 toloose 0.000316228 max_cycle 50 max_space 20 max_memory 4000 incore True davidson 0 1 |r|= 0.0872 e= [1.44542777] max|de|= 1.45 lindep= 1 davidson 1 2 |r|= 0.0103 e= [1.42497144] max|de|= -0.0205 lindep= 0.991 davidson 2 3 |r|= 0.000343 e= [1.42492904] max|de|= -4.24e-05 lindep= 0.985 Drop eigenvector 0, norm=1.81e-15 davidson 3 4 |r|= 1.81e-15 e= [1.4249289] max|de|= -1.35e-07 lindep= 1 Linear dependency in trial subspace. |r| for each state [0.] CIS root 0 E = 1.424928903273049 kshift = 1 tol 1e-07 toloose 0.000316228 max_cycle 50 max_space 20 max_memory 4000 incore True davidson 0 1 |r|= 0.0904 e= [1.5599655] max|de|= 1.56 lindep= 1 davidson 1 2 |r|= 0.0254 e= [1.51687869] max|de|= -0.0431 lindep= 0.94 davidson 2 3 |r|= 0.000246 e= [1.51642747] max|de|= -0.000451 lindep= 0.896 root 0 converged |r|= 2.87e-16 e= 1.5164274366463588 max|de|= -3.43e-08 converged 3 4 |r|= 2.87e-16 e= [1.51642744] max|de|= -3.43e-08 CIS root 0 E = 1.516427436646359 CPU time for CIS diagonalization 0.00 sec, wall time 0.00 sec CPU time for CIS 0.07 sec, wall time 0.05 sec . pyscf/pbc/ci/test/test_cisd.py converged SCF energy = -4.58399427889068 E(RCISD) = -4.594709793601476 E_corr = -0.01071551471079384 E(UCISD) = -4.594709793601058 E_corr = -0.01071551471037578 E(GCISD) = -4.594709793601064 E_corr = -0.01071551471038202 . pyscf/pbc/df/test/test_aft.py ..... does not have attributes time_reversal_symmetry ... WARN: Even tempered Gaussians are generated as DF auxbasis for He ... WARN: AFTDF integrals are found in all-electron calculation. It often causes huge error. Recommended methods are DF or MDF. In SCF calculation, they can be initialized as mf = mf.density_fit() or mf = mf.mix_density_fit() WARN: ke_cutoff/mesh (0.884407 / [3, 3, 3]) is not enough for AFTDF to get integral accuracy 1e-08. Coulomb integral error is ~ 3.1e+03 Eh. Recommended ke_cutoff/mesh are 111.839 / [25 3 3]. WARN: mesh [3, 3, 3] of AFTDF may not be enough to get integral accuracy 1e-08 for 1D PBC system. Coulomb integral error is ~ 0.054 Eh. Recommended mesh is [25 40 40]. . pyscf/pbc/df/test/test_aft_ao2mo.py .... pyscf/pbc/df/test/test_aft_jk.py .......converged SCF energy = -5.24728359001111 . pyscf/pbc/df/test/test_band.py ......... pyscf/pbc/df/test/test_df.py ............... WARN: Even tempered Gaussians are generated as DF auxbasis for H WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.687018457226161 WARN: Even tempered Gaussians are generated as DF auxbasis for H WARN: Function deprecated. Call pbc.df.rsdf_builder.estimate_ke_cutoff_for_omega instead. WARN: Function deprecated. Call pbc.df.rsdf_builder.estimate_ke_cutoff_for_omega instead. WARN: Function deprecated. Call pbc.df.rsdf_builder.estimate_ke_cutoff_for_omega instead. WARN: Function deprecated. Call pbc.df.rsdf_builder.estimate_ke_cutoff_for_omega instead. converged SCF energy = -0.674692142281995 WARN: Function deprecated. Call pbc.df.rsdf_builder.estimate_ke_cutoff_for_omega instead. WARN: Even tempered Gaussians are generated as DF auxbasis for H WARN: Function deprecated. Call pbc.df.rsdf_builder.estimate_ke_cutoff_for_omega instead. WARN: Function deprecated. Call pbc.df.rsdf_builder.estimate_ke_cutoff_for_omega instead. WARN: Function deprecated. Call pbc.df.rsdf_builder.estimate_ke_cutoff_for_omega instead. converged SCF energy = -0.678851816639722 . pyscf/pbc/df/test/test_df_ao2mo.py ....... pyscf/pbc/df/test/test_df_jk.py ....... pyscf/pbc/df/test/test_fft.py .............. pyscf/pbc/df/test/test_ft_ao.py ......... pyscf/pbc/df/test/test_gdf_builder.py ..........WARNING! Size of vacuum may not be enough. The recommended vacuum size is 16.583937014888004 AA (31.33909902517539 Bohr) .WARNING! Size of vacuum may not be enough. The recommended vacuum size is 16.583937014888004 AA (31.33909902517539 Bohr) ....WARNING! Size of vacuum may not be enough. The recommended vacuum size is 16.583937014888004 AA (31.33909902517539 Bohr) ............. pyscf/pbc/df/test/test_incore.py .. pyscf/pbc/df/test/test_mdf.py ....... pyscf/pbc/df/test/test_mdf_ao2mo.py .... pyscf/pbc/df/test/test_mdf_builder.py output file: /dev/null .........WARN: Overwritting j3c in /tmp/tmp0j6wbzgu. .WARN: Overwritting j3c in /tmp/tmp2bqrw94b. WARN: Overwritting j3c in /tmp/tmp2bqrw94b. .WARN: Overwritting j3c in /tmp/tmp7vi_ucft. WARN: Overwritting j3c in /tmp/tmp7vi_ucft. .WARN: Overwritting j3c in /tmp/tmpw0qyv4ku. WARN: Overwritting j3c in /tmp/tmpw0qyv4ku. .WARN: Overwritting j3c in /tmp/tmporskuovp. .WARN: Overwritting j3c in /tmp/tmpojl4ldmq. .WARN: Overwritting j3c in /tmp/tmpsr99gr0u. .WARN: Overwritting j3c in /tmp/tmpd5eelr08. .WARN: Overwritting j3c in /tmp/tmpaxz64lwf. ..........WARN: Overwritting j3c in /tmp/tmp4h6pz7jz. .WARN: Overwritting j3c in /tmp/tmpirf4vdgp. WARN: Overwritting j3c in /tmp/tmpirf4vdgp. WARN: Overwritting j3c in /tmp/tmpirf4vdgp. WARN: Overwritting j3c in /tmp/tmpirf4vdgp. .WARN: Overwritting j3c in /tmp/tmpzcus61s5. WARN: Overwritting j3c in /tmp/tmpzcus61s5. WARN: Overwritting j3c in /tmp/tmpzcus61s5. WARN: Overwritting j3c in /tmp/tmpzcus61s5. .WARN: Overwritting j3c in /tmp/tmp2ovqlpfl. .WARN: Overwritting j3c in /tmp/tmpu9xsq1b1. .WARN: Overwritting j3c in /tmp/tmpmcv1wkl2. . pyscf/pbc/df/test/test_mdf_jk.py ......WARNING! Size of vacuum may not be enough. The recommended vacuum size is 7.737429290400783 AA (14.621622267045268 Bohr) .. pyscf/pbc/df/test/test_outcore.py . pyscf/pbc/df/test/test_rsdf.py ....... pyscf/pbc/df/test/test_rsdf_1.py ....... pyscf/pbc/df/test/test_rsdf_ao2mo.py ....... pyscf/pbc/df/test/test_rsdf_builder.py output file: /dev/null .......WARNING! Size of vacuum may not be enough. The recommended vacuum size is 16.583937014888004 AA (31.33909902517539 Bohr) .WARNING! Size of vacuum may not be enough. The recommended vacuum size is 16.583937014888004 AA (31.33909902517539 Bohr) ..WARN: Overwritting j3c in /tmp/tmpa4e8xs9n. .WARN: Overwritting j3c in /tmp/tmpeup94hsb. WARN: Overwritting j3c in /tmp/tmpeup94hsb. WARN: Overwritting j3c in /tmp/tmpeup94hsb. WARN: Overwritting j3c in /tmp/tmpeup94hsb. .WARNING! Size of vacuum may not be enough. The recommended vacuum size is 16.583937014888004 AA (31.33909902517539 Bohr) . WARN: The coulG kernel for range-separated Coulomb potential for PBC 1 is inaccurate. WARN: The coulG kernel for range-separated Coulomb potential for PBC 1 is inaccurate. ..WARN: Overwritting j3c in /tmp/tmpgxzbtl_y. WARN: Overwritting j3c in /tmp/tmpgxzbtl_y. WARN: Overwritting j3c in /tmp/tmpgxzbtl_y. WARN: Overwritting j3c in /tmp/tmpgxzbtl_y. .WARN: Overwritting j3c in /tmp/tmp5zk76j80. .WARN: Overwritting j3c in /tmp/tmphw629wsw. .... pyscf/pbc/df/test/test_rsdf_jk.py ...... pyscf/pbc/df/test/test_rsdf_scf.py ...... pyscf/pbc/dft/test/test_gen_grid.py ..... pyscf/pbc/dft/test/test_gks.py converged SCF energy = -0.733593654493221 = 0.75007225 2S+1 = 2.0000722 .converged SCF energy = -0.609330965763096 = 0.75009378 2S+1 = 2.0000938 . pyscf/pbc/dft/test/test_kgks.py .converged SCF energy = -1.63734569225979 .converged SCF energy = -1.53380953164041 ... pyscf/pbc/dft/test/test_krks.py converged SCF energy = -0.38460752023198 .output file: /dev/null .output file: /dev/null .output file: /dev/null .output file: /dev/null .output file: /dev/null output file: /dev/null .WARN: k-points have lower symmetry than lattice. WARN: k-points have lower symmetry than lattice. WARN: k-points have lower symmetry than lattice. WARN: k-points have lower symmetry than lattice. WARN: k-points have lower symmetry than lattice. WARN: k-points have lower symmetry than lattice. WARN: k-points have lower symmetry than lattice. WARN: k-points have lower symmetry than lattice. output file: /dev/null .... pyscf/pbc/dft/test/test_krks_ksym.py WARN: k-points have lower symmetry than lattice. output file: /dev/null .WARN: k-points have lower symmetry than lattice. ...WARN: k-points have lower symmetry than lattice. .WARN: k-points have lower symmetry than lattice. .WARN: k-points have lower symmetry than lattice. ..WARN: k-points have lower symmetry than lattice. .WARN: k-points have lower symmetry than lattice. .WARN: k-points have lower symmetry than lattice. ..WARN: k-points have lower symmetry than lattice. .WARN: k-points have lower symmetry than lattice. ...WARN: k-points have lower symmetry than lattice. .WARN: k-points have lower symmetry than lattice. . pyscf/pbc/dft/test/test_krkspu.py WARN: Input mesh [29 29 29] has lower symmetry than the lattice. Some of the symmetry operations will be removed. Recommended mesh is [32 32 32]. WARN: k-points have lower symmetry than lattice. output file: /dev/null .output file: /dev/null .WARN: Input mesh [29 29 29] has lower symmetry than the lattice. Some of the symmetry operations will be removed. Recommended mesh is [32 32 32]. . pyscf/pbc/dft/test/test_kuks.py converged SCF energy = -0.38460752023198 converged SCF energy = -0.384607520231979 .SCF not converged. SCF energy = -4.213403459087 SCF not converged. SCF energy = -4.213403459087 .... pyscf/pbc/dft/test/test_kukspu.py WARN: Input mesh [29 29 29] has lower symmetry than the lattice. Some of the symmetry operations will be removed. Recommended mesh is [32 32 32]. WARN: k-points have lower symmetry than lattice. output file: /dev/null .output file: /dev/null .WARN: Input mesh [29 29 29] has lower symmetry than the lattice. Some of the symmetry operations will be removed. Recommended mesh is [32 32 32]. . pyscf/pbc/dft/test/test_multigrid.py output file: /dev/null .......................... pyscf/pbc/dft/test/test_multigrid2.py converged SCF energy = -2.93775322308392 --------------- RKS gradients --------------- x y z 0 H -0.0000000000 -0.0000000000 -0.0031450933 1 H 0.0000000000 0.0000000000 0.0031450207 ---------------------------------------------- .converged SCF energy = -2.93775322308303 = 3.4416914e-13 2S+1 = 1 --------------- UKS gradients --------------- x y z 0 H -0.0000001808 -0.0000001808 -0.0031452969 1 H 0.0000001808 0.0000001808 0.0031452243 ---------------------------------------------- ..converged SCF energy = -4.55799469715287 --------------- KRKS gradients --------------- x y z 0 He 0.0037621786 0.0000000046 0.0000000046 1 He -0.0036176159 -0.0000000047 -0.0000000047 ---------------------------------------------- converged SCF energy = -4.55799470621075 --------------- RKS gradients --------------- x y z 0 He 0.0037621814 0.0000000073 0.0000000073 1 He -0.0036176180 -0.0000000067 -0.0000000067 ---------------------------------------------- converged SCF energy = -4.55799470620957 = 5.5888627e-13 2S+1 = 1 --------------- UKS gradients --------------- x y z 0 He 0.0037621928 0.0000000185 0.0000000185 1 He -0.0036176297 -0.0000000182 -0.0000000182 ---------------------------------------------- ..converged SCF energy = -2.44168568934371 --------------- KRKS gradients --------------- x y z 0 He 0.0036862933 -0.0000000001 -0.0000000001 1 He -0.0036862933 0.0000000001 0.0000000001 ---------------------------------------------- converged SCF energy = -2.441685693302 --------------- RKS gradients --------------- x y z 0 He 0.0036862951 0.0000000014 0.0000000014 1 He -0.0036862945 -0.0000000009 -0.0000000009 ---------------------------------------------- converged SCF energy = -2.441685693302 = 1.3322676e-15 2S+1 = 1 --------------- UKS gradients --------------- x y z 0 He 0.0036862950 0.0000000012 0.0000000012 1 He -0.0036862944 -0.0000000008 -0.0000000008 ---------------------------------------------- .converged SCF energy = -4.48411660916899 --------------- KRKS gradients --------------- x y z 0 He 0.0036526808 0.0000000060 0.0000000060 1 He -0.0036526616 -0.0000000060 -0.0000000060 ---------------------------------------------- converged SCF energy = -4.48411661696041 --------------- RKS gradients --------------- x y z 0 He 0.0036526820 0.0000000071 0.0000000071 1 He -0.0036526621 -0.0000000064 -0.0000000064 ---------------------------------------------- converged SCF energy = -4.48411661695874 = 2.0294877e-13 2S+1 = 1 --------------- UKS gradients --------------- x y z 0 He 0.0036526930 0.0000000186 0.0000000186 1 He -0.0036526730 -0.0000000178 -0.0000000178 ---------------------------------------------- ..converged SCF energy = -2.93775322308392 ...converged SCF energy = -4.67158844488045 --------------- KRKS gradients --------------- x y z 0 He -0.0000000000 -0.0000000000 0.2523233888 1 He -0.0000000000 0.0000000000 -0.2523362440 ---------------------------------------------- converged SCF energy = -4.67158844084003 --------------- RKS gradients --------------- x y z 0 He -0.0000000000 -0.0000000000 0.2523233865 1 He -0.0000000000 -0.0000000000 -0.2523362590 ---------------------------------------------- converged SCF energy = -4.67158844082007 = 2.1562752e-12 2S+1 = 1 --------------- UKS gradients --------------- x y z 0 He -0.0000000000 -0.0000000000 0.2523231315 1 He -0.0000000000 -0.0000000000 -0.2523360064 ---------------------------------------------- ..converged SCF energy = -2.67072142062722 --------------- KRKS gradients --------------- x y z 0 He -0.0000000000 -0.0000000000 0.3233010095 1 He -0.0000000000 0.0000000000 -0.3233010095 ---------------------------------------------- converged SCF energy = -2.67072142172161 --------------- RKS gradients --------------- x y z 0 He -0.0000000000 -0.0000000000 0.3233010109 1 He -0.0000000000 -0.0000000000 -0.3233010156 ---------------------------------------------- converged SCF energy = -2.67072142172161 = 2.220446e-16 2S+1 = 1 --------------- UKS gradients --------------- x y z 0 He -0.0000000000 -0.0000000000 0.3233010140 1 He -0.0000000000 -0.0000000000 -0.3233010186 ---------------------------------------------- .converged SCF energy = -4.58629177310795 --------------- KRKS gradients --------------- x y z 0 He -0.0000000000 -0.0000000000 0.2492605646 1 He -0.0000000000 0.0000000000 -0.2492605543 ---------------------------------------------- converged SCF energy = -4.5862917754713 --------------- RKS gradients --------------- x y z 0 He -0.0000000000 -0.0000000000 0.2492605652 1 He -0.0000000000 -0.0000000000 -0.2492605661 ---------------------------------------------- converged SCF energy = -4.58629177545762 = 4.1300297e-14 2S+1 = 1 --------------- UKS gradients --------------- x y z 0 He -0.0000000000 -0.0000000000 0.2492601165 1 He -0.0000000000 -0.0000000000 -0.2492601173 ---------------------------------------------- .. pyscf/pbc/dft/test/test_numint.py ...output file: /dev/null .output file: /dev/null .output file: /dev/null ....output file: /dev/null .output file: /dev/null . pyscf/pbc/dft/test/test_rks.py output file: /dev/null .. WARN: Even tempered Gaussians are generated as DF auxbasis for He converged SCF energy = -4.71769943875991 .converged SCF energy = -0.62526956972484 WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.635068828433849 ..WARNING! Size of vacuum may not be enough. The recommended vacuum size is 7.737429290400783 AA (14.621622267045268 Bohr) ... pyscf/pbc/dft/test/test_sampling.py . pyscf/pbc/dft/test/test_uks.py output file: /dev/null ... pyscf/pbc/grad/test/test_krhf.py WARN: HOMO 1.62856504857 == LUMO 1.62856579948 output file: /dev/null . pyscf/pbc/grad/test/test_krks.py output file: /dev/null ... pyscf/pbc/grad/test/test_krks_stress.py ..........SCF not converged. SCF energy = -15.9975114226978 .... pyscf/pbc/grad/test/test_krkspu.py SCF not converged. SCF energy = -15.9975114226978 .converged SCF energy = -15.9394646678869 --------------- KRKSpU_Scanner gradients --------------- x y z 0 C -0.3271693152 0.2249694409 0.0589441872 1 O 0.3271673745 -0.2249705139 -0.0589429173 ---------------------------------------------- converged SCF energy = -15.939888970092 converged SCF energy = -15.9390386916941 .. pyscf/pbc/grad/test/test_kuhf.py output file: /dev/null . pyscf/pbc/grad/test/test_kuks.py output file: /dev/null ... pyscf/pbc/grad/test/test_kuks_stress.py ....SCF not converged. SCF energy = -15.9975114226978 .. pyscf/pbc/grad/test/test_kukspu.py SCF not converged. SCF energy = -15.9744304628158 .converged SCF energy = -15.9394646678869 --------------- KUKSpU_Scanner gradients --------------- x y z 0 C -0.3271693152 0.2249694409 0.0589441872 1 O 0.3271673745 -0.2249705139 -0.0589429173 ---------------------------------------------- converged SCF energy = -15.939888970092 converged SCF energy = -15.9390386916941 . pyscf/pbc/grad/test/test_rks_stress.py .................. pyscf/pbc/grad/test/test_uks_stress.py ..... pyscf/pbc/gto/pseudo/test/test_pp.py .... pyscf/pbc/gto/test/test_cell.py WARNING! Lattice are not in right-handed coordinate system. This can cause wrong value for some integrals. It's recommended to resort the lattice vectors to a = [[0.78805738 0.57132576 0.35198079] [0.00021614 0.17449465 0.74978186] [1.36121601 0.27732844 0.65301513]] ..........output file: /dev/null output file: /dev/null .output file: /dev/null .output file: /dev/null .WARNING! Size of vacuum may not be enough. The recommended vacuum size is 3.8100759186240003 AA (7.2 Bohr) WARNING! Size of vacuum may not be enough. The recommended vacuum size is 17.478082236866125 AA (33.02878861030247 Bohr) output file: /dev/null .output file: /dev/null .... WARN: Mole.unit (angstrom) is changed to Angstrom . WARN: Mole.unit (angstrom) is changed to Angstrom ..converged SCF energy = -2.26197131934003 converged SCF energy = -2.26197131934003 converged SCF energy = -2.28740867221804 converged SCF energy = -2.28361416891689 converged SCF energy = -2.26197131934003 converged SCF energy = -2.26197131934003 converged SCF energy = -2.28740867221805 converged SCF energy = -1.88649138906637 = 0.75 2S+1 = 2 converged SCF energy = -1.88649138906637 = 0.75 2S+1 = 2 converged SCF energy = -1.87317900517165 = 0.75 2S+1 = 2 converged SCF energy = -1.8756882235292 = 0.75 2S+1 = 2 converged SCF energy = -1.88649138906637 Makov-Payne correction for charged 3D PBC systems Corrections (AU) Monopole Dipole Quadrupole total SC 0.18767915 -0.00000000 -0.12536368 0.06231546 BCC 0.24072493 -0.00000000 -0.12536368 0.11536124 FCC 0.30327557 -0.00000000 -0.12536368 0.17791188 converged SCF energy = -1.88649138906637 Makov-Payne correction for charged 3D PBC systems Corrections (AU) Monopole Dipole Quadrupole total SC 0.18767915 -0.00000000 -0.12536368 0.06231546 BCC 0.24072493 -0.00000000 -0.12536368 0.11536124 FCC 0.30327557 -0.00000000 -0.12536368 0.17791188 converged SCF energy = -1.87317900517165 Makov-Payne correction for charged 3D PBC systems Corrections (AU) Monopole Dipole Quadrupole total SC 0.18767915 -0.00000000 -0.12536368 0.06231546 BCC 0.24072493 -0.00000000 -0.12536368 0.11536124 FCC 0.30327557 -0.00000000 -0.12536368 0.17791188 WARN: k-points have lower symmetry than lattice. ....... WARN: Mole.unit (angstrom) is changed to Bohr WARN: Mole.unit (angstrom) is changed to Bohr WARN: Mole.unit (angstrom) is changed to Bohr WARN: Mole.unit (AU) is changed to Ang WARN: Mole.unit (Bohr) is changed to Ang WARN: Mole.unit (AU) is changed to Ang WARN: Mole.unit (1.5) is changed to Ang WARN: Mole.unit (1.5) is changed to Ang . pyscf/pbc/gto/test/test_rcut.py ..1e-12 error = 9.324609316056656e-15 3.774758283725532e-15 1.0000000000000001e-11 error = 5.2576472495443466e-14 1.8456374746891044e-14 1e-10 error = 1.47037063624519e-13 5.34934656525202e-14 1e-09 error = 9.050720398245679e-12 3.857220548707e-12 1e-08 error = 1.4113730824444315e-10 6.642922139396765e-11 1.0000000000000001e-07 error = 4.0797610266743917e-10 1.9664337439720546e-10 1e-06 error = 3.1154783234779107e-09 1.6830823438717744e-09 1e-05 error = 9.64539405202948e-08 6.276874331430589e-08 0.0001 error = 2.909945090615501e-07 1.9614669579273509e-07 . pyscf/pbc/gw/test/test_krgw.py WARN: Even tempered Gaussians are generated as DF auxbasis for H WARN: Even tempered Gaussians are generated as DF auxbasis for H WARN: File /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscftmpdir/tmpxvdiprka (specified by ._cderi) is overwritten by GDF initialization. WARN: GW QP energies may not be sorted from min to max WARN: GW QP energies may not be sorted from min to max output file: /dev/null output file: /dev/null . pyscf/pbc/gw/test/test_kugw.py WARN: Even tempered Gaussians are generated as DF auxbasis for H WARN: GW QP energies may not be sorted from min to max WARN: GW QP energies may not be sorted from min to max output file: /dev/null . pyscf/pbc/lib/test/test_kpts.py ....... pyscf/pbc/lib/test/test_kpts_ksymm.py SCF not converged. SCF energy = -7.84676511575938 WARN: k-points have lower symmetry than lattice. WARN: k-points have lower symmetry than lattice. ... pyscf/pbc/mp/test/test_dm.py WARN: The coulG kernel for range-separated Coulomb potential for PBC 1 is inaccurate. WARN: The coulG kernel for range-separated Coulomb potential for PBC 1 is inaccurate. WARN: The coulG kernel for range-separated Coulomb potential for PBC 1 is inaccurate. WARN: The coulG kernel for range-separated Coulomb potential for PBC 1 is inaccurate. WARN: The coulG kernel for range-separated Coulomb potential for PBC 1 is inaccurate. WARN: The coulG kernel for range-separated Coulomb potential for PBC 1 is inaccurate. output file: /dev/null . pyscf/pbc/mp/test/test_kpoint.py output file: /dev/null .WARN: Even tempered Gaussians are generated as DF auxbasis for Be . ******** ******** method = KRHF initial guess = minao damping factor = 0 level_shift factor = 0 DIIS = diis_start_cycle = 1 diis_space = 8 diis_damp = 0 SCF conv_tol = 1e-12 SCF conv_tol_grad = None SCF max_cycles = 50 direct_scf = True direct_scf_tol = 1e-13 max_memory 4000 MB (current use 1006 MB) ******** PBC SCF flags ******** N kpts = 2 Exchange divergence treatment (exxdiv) = ewald madelung (= occupied orbital energy shift) = 0.41483464269504156 Total energy shift due to Ewald probe charge = -1/2 * Nelec*madelung = -0.622251964043 DF object = Set gradient conv threshold to 1e-06 init E= -2.92107011113114 HOMO = 0.288176773721 LUMO = 0.654634512885 cycle= 1 E= -2.19665216744709 delta_E= 0.724 |g|= 0.0549 |ddm|= 3.37 HOMO = 0.0590582470643 LUMO = 0.690863174419 cycle= 2 E= -2.19827677284868 delta_E= -0.00162 |g|= 0.0298 |ddm|= 0.304 HOMO = 0.0576906137065 LUMO = 0.693153271344 cycle= 3 E= -2.19898602523908 delta_E= -0.000709 |g|= 0.005 |ddm|= 0.343 HOMO = 0.0588528045854 LUMO = 0.691391293014 cycle= 4 E= -2.19900462505027 delta_E= -1.86e-05 |g|= 0.00113 |ddm|= 0.0506 HOMO = 0.0582038345518 LUMO = 0.692429654339 cycle= 5 E= -2.1990056323949 delta_E= -1.01e-06 |g|= 9.91e-05 |ddm|= 0.0128 HOMO = 0.0584966256208 LUMO = 0.691966285661 cycle= 6 E= -2.19900563717585 delta_E= -4.78e-09 |g|= 2.03e-05 |ddm|= 0.00063 HOMO = 0.0584676223672 LUMO = 0.692012095961 cycle= 7 E= -2.19900563736488 delta_E= -1.89e-10 |g|= 1.19e-06 |ddm|= 0.000107 HOMO = 0.0584680209568 LUMO = 0.692011432193 cycle= 8 E= -2.19900563736542 delta_E= -5.32e-13 |g|= 5.81e-08 |ddm|= 5.93e-06 HOMO = 0.0584679853388 LUMO = 0.692011497729 Extra cycle E= -2.19900563736542 delta_E= -1.78e-15 |g|= 2.75e-08 |ddm|= 3.47e-07 converged SCF energy = -2.19900563736542 ******** ******** nkpts = 2 nocc = 2 nmo = 5 with_df_ints = False max_memory 4000 MB (current use 1006 MB) E(KMP2) = -2.20062621657753 E_corr = -0.00162057921211039 E(SCS-KMP2) = -2.20078176770685 E_corr = -0.00177613034143103 E_corr(same-spin) = -0.000194497745886277 E_corr(oppo-spin) = -0.00142608146622411 . pyscf/pbc/mp/test/test_kpoint_stagger.py WARN: Even tempered Gaussians are generated as DF auxbasis for H WARN: Even tempered Gaussians are generated as DF auxbasis for H WARN: Even tempered Gaussians are generated as DF auxbasis for H WARN: Even tempered Gaussians are generated as DF auxbasis for H output file: /dev/null . pyscf/pbc/mp/test/test_ksym.py .. pyscf/pbc/mp/test/test_mask.py ........ pyscf/pbc/mp/test/test_mask_uhf.py ......... pyscf/pbc/mp/test/test_padding.py output file: /dev/null . pyscf/pbc/mp/test/test_scs.py WARN: Even tempered Gaussians are generated as DF auxbasis for Be WARN: Even tempered Gaussians are generated as DF auxbasis for Be output file: /dev/null .WARN: Even tempered Gaussians are generated as DF auxbasis for Be WARN: k-points have lower symmetry than lattice. WARN: Even tempered Gaussians are generated as DF auxbasis for Be output file: /dev/null .WARN: Even tempered Gaussians are generated as DF auxbasis for Be output file: /dev/null . pyscf/pbc/scf/test/test_addons.py WARN: WARNING! HOMO is greater than LUMO! This may lead to incorrect canonical occupation. WARN: WARNING! HOMO is greater than LUMO! This may lead to incorrect canonical occupation. output file: /dev/null ....... WARN: Even tempered Gaussians are generated as DF auxbasis for He converged SCF energy = -5.567693501908 converged SCF energy = -5.56769351503205 converged SCF energy = -5.56785858136944 ..... pyscf/pbc/scf/test/test_band.py converged SCF energy = -4.57320061776639 .converged SCF energy = -3.33089753003818 . pyscf/pbc/scf/test/test_hf.py output file: /dev/null .output file: /dev/null .............converged SCF energy = -5.66197937620795 converged SCF energy = -5.66198034773818 ...WARNING! Size of vacuum may not be enough. The recommended vacuum size is 8.610449385543093 AA (16.27139114810597 Bohr) ....... pyscf/pbc/scf/test/test_khf.py output file: /dev/null ..WARN: Occupied band above Fermi level: k=1, mo_e=[2 3 4 5], mo_occ=[2. 2. 0. 0.] WARN: Occupied band above Fermi level: k=1, mo_e=[2 3 4 5], mo_occ=[2. 2. 0. 0.] .output file: /dev/null ........Warning: cell.build() is not called in input output file: /dev/null . pyscf/pbc/scf/test/test_khf_ksym.py WARN: k-points have lower symmetry than lattice. WARN: k-points have lower symmetry than lattice. output file: /dev/null ..WARN: k-points have lower symmetry than lattice. . WARN: k-points have lower symmetry than lattice. WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.366082521782836 WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.366082521760485 .WARN: k-points have lower symmetry than lattice. ...WARN: k-points have lower symmetry than lattice. ....WARN: k-points have lower symmetry than lattice. .WARN: k-points have lower symmetry than lattice. .WARN: k-points have lower symmetry than lattice. output file: /dev/null . WARN: k-points have lower symmetry than lattice. WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.366082521782835 does not have attributes use_ao_symmetry converged SCF energy = -0.366082521760267 WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.366082521783049 does not have attributes use_ao_symmetry converged SCF energy = -0.366082521760309 WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.366082521199497 does not have attributes use_ao_symmetry converged SCF energy = -0.366082521698428 WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.500028285072109 does not have attributes use_ao_symmetry converged SCF energy = -0.50002828515234 WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.50002828505888 does not have attributes use_ao_symmetry converged SCF energy = -0.500028285151245 .WARN: k-points have lower symmetry than lattice. ...WARN: k-points have lower symmetry than lattice. . pyscf/pbc/scf/test/test_mulliken_meta.py output file: /dev/null .output file: /dev/null .output file: /dev/null .output file: /dev/null .output file: /dev/null .output file: /dev/null .output file: /dev/null .output file: /dev/null . pyscf/pbc/scf/test/test_newton.py output file: /dev/null ................... pyscf/pbc/scf/test/test_rohf.py output file: /dev/null ..WARN: Problematic nelec (3, 1) and number of k-points 1 found in KRHF method. .WARN: Problematic nelec (3, 1) and number of k-points 1 found in KRHF method. .WARN: Problematic nelec (9, 7) and number of k-points 1 found in KRHF method. ..Warning: cell.build() is not called in input WARN: Problematic nelec (1, 0) and number of k-points 1 found in KRHF method. Warning: cell.build() is not called in input output file: /dev/null output file: /dev/null .. pyscf/pbc/scf/test/test_rsjk.py .... pyscf/pbc/scf/test/test_scfint.py .. pyscf/pbc/scf/test/test_stability.py output file: /dev/null ..... pyscf/pbc/scf/test/test_uhf.py WARN: system HOMO 2.63429280918515 >= system LUMO 0.153343377912651 WARN: system HOMO 3.34131318984706 >= system LUMO 0.408215936149253 WARN: system HOMO 3.30858464277637 >= system LUMO 0.468305596121155 WARN: system HOMO 3.29521895819993 >= system LUMO 0.455845687423706 WARN: system HOMO 3.29427528140414 >= system LUMO 0.457266018358502 WARN: system HOMO 3.29426084404913 >= system LUMO 0.457216787559792 WARN: system HOMO 3.29426169491203 >= system LUMO 0.457221339816748 WARN: system HOMO 3.29426176865997 >= system LUMO 0.457221297572424 output file: /dev/null .WARN: system HOMO 3.36070922822746 >= system LUMO 0.420162103931826 ..WARN: system HOMO 1.11042252659421 >= system LUMO -0.667255539316298 WARN: system HOMO 3.08543247056778 >= system LUMO 0.189547323119078 .Warning: cell.build() is not called in input Warning: cell.build() is not called in input output file: /dev/null output file: /dev/null ... pyscf/pbc/symm/test/test_basis.py ...... pyscf/pbc/symm/test/test_spg.py WARNING! Size of vacuum may not be enough. The recommended vacuum size is 24.463878104992176 AA (46.23002956317894 Bohr) .. pyscf/pbc/tdscf/test/test_krhf.py output file: /dev/null . ******** ******** kshift = 0 CIS root 0 E = 0.4026769602916702 CIS root 1 E = 0.402676960292379 CIS root 2 E = 0.4070148740107852 CIS root 3 E = 0.4256958820252308 CIS root 4 E = 0.454271995216222 CIS root 5 E = 0.4542719952169179 CIS root 6 E = 0.4838265875635705 CIS root 7 E = 0.4838265875638461 CIS root 8 E = 0.5000493564636135 CIS root 9 E = 0.5051085683477492 CIS root 10 E = 0.5051085683484129 CIS root 11 E = 0.6911339480347765 CIS root 12 E = 0.7719801646715314 CIS root 13 E = 0.7719801646724658 CIS root 14 E = 0.8172042628852026 CIS root 15 E = 0.8172042628862326 CIS root 16 E = 0.8385827521214243 CIS root 17 E = 0.8417461214847413 CIS root 18 E = 0.841746121484785 CIS root 19 E = 0.8556741507563256 CIS root 20 E = 0.8903397274098738 CIS root 21 E = 1.001968089968796 CIS root 22 E = 1.001968089969768 CIS root 23 E = 1.016078317336269 CIS root 24 E = 1.020923182039802 CIS root 25 E = 1.020923182040661 CIS root 26 E = 1.172428054743213 CIS root 27 E = 1.210113372047223 CIS root 28 E = 1.25793054612407 CIS root 29 E = 1.302175690217193 CIS root 30 E = 1.302175690218057 CIS root 31 E = 1.653058138763336 kshift = 1 CIS root 0 E = 0.4057800863325988 CIS root 1 E = 0.4057800863333791 CIS root 2 E = 0.4341698256595133 CIS root 3 E = 0.4954384598911252 CIS root 4 E = 0.4954384598914045 CIS root 5 E = 0.5318454796316747 CIS root 6 E = 0.5642214757365281 CIS root 7 E = 0.5642214757372424 CIS root 8 E = 0.6137879440289205 CIS root 9 E = 0.6137879440299517 CIS root 10 E = 0.6991499072894309 CIS root 11 E = 0.6991499072901792 CIS root 12 E = 0.7716378084702435 CIS root 13 E = 0.7716378084711736 CIS root 14 E = 0.7866129564426043 CIS root 15 E = 0.8037707297782835 CIS root 16 E = 0.8108584258059328 CIS root 17 E = 0.8108584258059449 CIS root 18 E = 0.8113434359140766 CIS root 19 E = 0.8132380505593902 CIS root 20 E = 0.8886406263002843 CIS root 21 E = 0.9209297061164714 CIS root 22 E = 0.920929706117243 CIS root 23 E = 0.986874853680122 CIS root 24 E = 0.9868748536809433 CIS root 25 E = 1.036689924483263 CIS root 26 E = 1.166054162380567 CIS root 27 E = 1.252614350904132 CIS root 28 E = 1.333883781798636 CIS root 29 E = 1.333883781799572 CIS root 30 E = 1.354653341320714 CIS root 31 E = 1.531005424105581 ....output file: /dev/null .... pyscf/pbc/tdscf/test/test_krks.py output file: /dev/null ....output file: /dev/null .... pyscf/pbc/tdscf/test/test_kuhf.py WARN: system HOMO 0.427552128774933 >= system LUMO -0.392409139203598 output file: /dev/null output file: /dev/null .. pyscf/pbc/tdscf/test/test_kuks.py output file: /dev/null ..output file: /dev/null .. pyscf/pbc/tdscf/test/test_rhf.py output file: /dev/null ....output file: /dev/null ....output file: /dev/null output file: /dev/null .... pyscf/pbc/tdscf/test/test_rks.py output file: /dev/null .......output file: /dev/null ....output file: /dev/null output file: /dev/null ....output file: /dev/null ....output file: /dev/null output file: /dev/null .... pyscf/pbc/tdscf/test/test_uhf.py output file: /dev/null ..WARN: system HOMO 0.59450580752416 >= system LUMO -0.119761480517415 WARN: system HOMO 0.427552128774933 >= system LUMO -0.392409139203598 output file: /dev/null output file: /dev/null .. pyscf/pbc/tdscf/test/test_uks.py output file: /dev/null .....WARN: system HOMO 0.35108604951268 >= system LUMO -0.164942853521483 WARN: system HOMO 0.372224369917037 >= system LUMO -0.109398145082478 WARN: system HOMO 0.369788985313155 >= system LUMO -0.119864040275759 WARN: system HOMO 0.37128116361306 >= system LUMO -0.117223123560062 WARN: system HOMO 0.371421958814994 >= system LUMO -0.117233000966009 WARN: system HOMO 0.371422609067519 >= system LUMO -0.11723117882079 WARN: system HOMO 0.237008333008523 >= system LUMO -0.316466163790798 WARN: system HOMO 0.385331124060042 >= system LUMO -0.078303301263074 WARN: system HOMO 0.370586778103576 >= system LUMO -0.118735731497211 WARN: system HOMO 0.370145454518539 >= system LUMO -0.118489586217733 WARN: system HOMO 0.370145883993406 >= system LUMO -0.118500873852524 WARN: system HOMO 0.370147407363323 >= system LUMO -0.118500055354109 output file: /dev/null output file: /dev/null ..output file: /dev/null ..WARN: system HOMO 0.401537400973325 >= system LUMO -0.167674079336167 WARN: system HOMO 0.437539778388624 >= system LUMO -0.0282605109697984 WARN: system HOMO 0.437070095840282 >= system LUMO -0.0372085070177088 WARN: system HOMO 0.439047499952027 >= system LUMO -0.0335878500451807 WARN: system HOMO 0.439142363904092 >= system LUMO -0.0339808473564035 WARN: system HOMO 0.439143560087994 >= system LUMO -0.0339786693013221 WARN: system HOMO 0.439143624292942 >= system LUMO -0.0339781906975353 WARN: system HOMO 0.275718151426506 >= system LUMO -0.347810183146953 WARN: system HOMO 0.44825510875583 >= system LUMO 0.000187108257607668 WARN: system HOMO 0.437265796382038 >= system LUMO -0.0355777686366823 WARN: system HOMO 0.437730027972803 >= system LUMO -0.0352559539014671 WARN: system HOMO 0.437836465438017 >= system LUMO -0.0352618010562642 WARN: system HOMO 0.437840285681185 >= system LUMO -0.0352584746575087 WARN: system HOMO 0.437840445140681 >= system LUMO -0.0352576925740608 output file: /dev/null output file: /dev/null .. pyscf/pbc/tools/test/test_k2gamma.py WARNING! Lattice are not in right-handed coordinate system. This can cause wrong value for some integrals. It's recommended to resort the lattice vectors to a = [[ 3.316469 3.316469 -3.316469] [-3.316469 3.316469 3.316469] [ 3.316469 -3.316469 3.316469]] output file: /dev/null .WARNING! Lattice are not in right-handed coordinate system. This can cause wrong value for some integrals. It's recommended to resort the lattice vectors to a = [[ 3.316469 3.316469 -3.316469] [-3.316469 3.316469 3.316469] [ 3.316469 -3.316469 3.316469]] output file: /dev/null . WARN: k-points have lower symmetry than lattice. WARN: Even tempered Gaussians are generated as DF auxbasis for He converged SCF energy = -2.41304919510502 WARN: Even tempered Gaussians are generated as DF auxbasis for He converged SCF energy = -9.65219506640605 .. pyscf/pbc/tools/test/test_pbc.py .output file: /dev/null ..output file: /dev/null ............ pyscf/pbc/x2c/test/test_x2c.py converged SCF energy = -4.7579614486112 .... WARN: Even tempered Gaussians are generated as DF auxbasis for He . pyscf/qmmm/pbc/test/test_qmmm.py . pyscf/qmmm/test/test_grad_mm.py output file: /dev/null ... pyscf/qmmm/test/test_itrf.py output file: /dev/null ..converged SCF energy = -76.1041683968315 --------------- QMMMRHF gradients --------------- x y z 0 O 0.0123367338 0.0044519147 -0.0967363076 1 H -0.0065903497 -0.0981918975 0.0578784211 2 H -0.1930064008 0.2046235340 -0.0479455541 ---------------------------------------------- converged SCF energy = -76.1043507936664 converged SCF energy = -76.1039851836304 E(CCSD) = -76.3274908607173 E_corr = -0.223322463885772 --------------- CCSD gradients --------------- x y z 0 O 0.0092209643 0.0005982438 -0.0740034614 1 H -0.0067200001 -0.0830969410 0.0425657692 2 H -0.1889920256 0.1868728919 -0.0588803526 ---------------------------------------------- converged SCF energy = -76.1043507936664 E(CCSD_Scanner) = -76.32763033509195 E_corr = -0.223279541425532 converged SCF energy = -76.1039851836304 E(CCSD_Scanner) = -76.32735064078526 E_corr = -0.2233654571548172 .... pyscf/scf/test/test_addons.py WARN: system HOMO 0.12399495943727 >= system LUMO -0.474582388935664 WARN: alpha-A1 HOMO 0.123994959437269 > system LUMO -0.474582388935664 WARN: alpha-B1 HOMO -0.474582388935664 > system LUMO -0.474582388935664 WARN: beta-A1 LUMO 0.123994959437269 < system HOMO 0.123994959437269 output file: /dev/null .Overwritten attributes get_fock of Overwritten attributes get_fock of WARN: beta nocc = 5 HOMO 0.553920869506764 >= LUMO 0.55445254924954 .Overwritten attributes get_occ of WARN: set charge = 6 WARN: set charge = 6 output file: /dev/null .Overwritten attributes get_occ of WARN: system HOMO -0.0370208892610363 >= system LUMO -0.672294795662078 output file: /dev/null ..WARN: fraction occ = 1 for orbitals [5 6] WARN: fraction occ = 1 for orbitals [5 6] WARN: fraction occ = 1 for orbitals [5 6] WARN: fraction occ = 1 for orbitals [5 6] WARN: fraction occ = 1 for orbitals [5 6] WARN: fraction occ = 1 for orbitals [5 6] WARN: fraction occ = 1 for orbitals [5 6] WARN: fraction occ = 1 for orbitals [5 6] Overwritten attributes get_occ get_grad of WARN: fraction occ = 0.5 for alpha orbitals [7 8] 1 for beta orbitals [5 6] WARN: fraction occ = 0.5 for alpha orbitals [7 8] 1 for beta orbitals [5 6] WARN: fraction occ = 0.5 for alpha orbitals [7 8] 1 for beta orbitals [5 6] WARN: fraction occ = 0.5 for alpha orbitals [7 8] 1 for beta orbitals [5 6] WARN: fraction occ = 0.5 for alpha orbitals [7 8] 1 for beta orbitals [5 6] WARN: fraction occ = 0.5 for alpha orbitals [7 8] 1 for beta orbitals [5 6] WARN: fraction occ = 0.5 for alpha orbitals [7 8] 1 for beta orbitals [5 6] WARN: fraction occ = 0.5 for alpha orbitals [7 8] 1 for beta orbitals [5 6] WARN: fraction occ = 0.5 for alpha orbitals [7 8] 1 for beta orbitals [5 6] WARN: Invalid number of electrons 13 for RHF method. WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1 for alpha orbitals [5 6] 0.5 for beta orbitals [5 6] WARN: fraction occ = 1 for alpha orbitals [5 6] 0.5 for beta orbitals [5 6] WARN: fraction occ = 1 for alpha orbitals [5 6] 0.5 for beta orbitals [5 6] WARN: fraction occ = 1 for alpha orbitals [5 6] 0.5 for beta orbitals [5 6] WARN: fraction occ = 1 for alpha orbitals [5 6] 0.5 for beta orbitals [5 6] WARN: fraction occ = 1 for alpha orbitals [5 6] 0.5 for beta orbitals [5 6] WARN: fraction occ = 1 for alpha orbitals [5 6] 0.5 for beta orbitals [5 6] WARN: fraction occ = 1 for alpha orbitals [5 6] 0.5 for beta orbitals [5 6] WARN: fraction occ = 1 for alpha orbitals [5 6] 0.5 for beta orbitals [5 6] output file: /dev/null ..Overwritten attributes get_occ of Overwritten attributes get_occ of ........WARN: Invalid number of electrons 13 for RHF method. WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: Invalid number of electrons 13 for RHF method. WARN: Invalid number of electrons 13 for RHF method. WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: fraction occ = 1.5 for orbitals [5 6] WARN: Invalid number of electrons 13 for RHF method. output file: /dev/null output file: /dev/null . WARN: Invalid number of electrons 15 for RHF method. converged SCF energy = -106.931080040176 .Overwritten attributes get_ovlp get_hcore of converged SCF energy = -2.93405853397115 = -7.1054274e-15 2S+1 = 1 .. pyscf/scf/test/test_dhf.py output file: /dev/null output file: /dev/null .......WARN: Variational collapse. PES mo_energy -37578.3 < -2c^2 ........... pyscf/scf/test/test_diis.py .converged SCF energy = -74.7874921601008 .output file: /dev/null ..output file: /dev/null .output file: /dev/null . pyscf/scf/test/test_ghf.py output file: /dev/null output file: /dev/null .....WARN: Molecule does not have irrep A1g ..WARN: A1 HOMO 0.185436673760551 > system LUMO -0.493132508003265 WARN: A1 LUMO 0.185436687149439 < system HOMO 0.185436673760551 WARN: B1 HOMO -0.493132512417352 > system LUMO -0.493132508003265 WARN: B1 LUMO -0.493132508003265 < system HOMO 0.185436673760551 WARN: A1 LUMO -0.566643139817739 < system HOMO 3.33789883391776 WARN: B1 HOMO -0.493132512417352 > system LUMO -0.698754141849939 WARN: B1 LUMO -0.493132508003265 < system HOMO 3.33789883391776 WARN: A1 HOMO 2.48888851265684 > system LUMO 0.185436659909899 WARN: B1 HOMO 3.28557598511698 > system LUMO 0.185436659909899 WARN: B2 HOMO 1.25344055578536 > system LUMO 0.185436659909899 .WARN: HOMO -0.827743760903045 == LUMO -0.932887064639662 WARN: HOMO -1.93174845013752 == LUMO -1.93174845013752 WARN: HOMO -1.93174845013752 == LUMO -1.93174845013752 output file: /dev/null ..Warning: must be initialized before calling SCF. Initialize in ....WARN: Fail in reading /tmp/tmpodba12s0. Use MINAO initial guess ........ pyscf/scf/test/test_h2o.py output file: /dev/null .WARN: dual-basis SOSCF is an experimental feature. It is still in testing. ........................ pyscf/scf/test/test_h2o_vdz.py .............. pyscf/scf/test/test_he.py .... pyscf/scf/test/test_jk.py output file: /dev/null ..... pyscf/scf/test/test_response_function.py WARN: system HOMO -0.474582388935664 >= system LUMO -0.474582388935664 output file: /dev/null . pyscf/scf/test/test_rhf.py output file: /dev/null output file: /dev/null output file: /dev/null output file: /dev/null converged SCF energy = -0.466581849557275 .converged SCF energy = -23.8678185857788 ..WARN: SCF object must be initialized before calling post-SCF methods. Initialize for .converged SCF energy = -1.11639404819215 WARN: len(magmom) != natm. Set magmom to zero converged SCF energy = -1.1163913004438 .output file: /dev/null ..Overwritten attributes check_convergence of .......WARN: HOMO -0.880315412771353 == LUMO -0.880315412771353 WARN: HOMO -1.93174845013752 == LUMO -1.93174845013752 WARN: HOMO -1.93174845013752 == LUMO -1.93174845013752 output file: /dev/null .Warning: must be initialized before calling SCF. Initialize in ........WARN: A1 LUMO 0.100626554688216 < system HOMO 0.198508644776464 WARN: B2 HOMO 0.198508644776464 > system LUMO -0.476818251418644 WARN: B2 HOMO -0.113121335058522 > system LUMO -0.472959238444598 WARN: B2 HOMO -0.0790511410480273 > system LUMO -0.274498071320732 WARN: B2 HOMO -0.0779978985584409 > system LUMO -0.268571234655178 WARN: B2 HOMO -0.0782185850611984 > system LUMO -0.268388137950083 WARN: B2 HOMO -0.0782286609731116 > system LUMO -0.268389187521173 WARN: B2 HOMO -0.0782243431147081 > system LUMO -0.268371663507515 WARN: B2 HOMO -0.0782234452778111 > system LUMO -0.268372805172477 WARN: B2 HOMO -0.0782236408826068 > system LUMO -0.268373387005216 .WARN: System has nonzero charge 1; the dipole moment is origin-dependent. Location of origin: [0. 0. 0.] .WARN: System has nonzero charge 1; the dipole moment is origin-dependent. Location of origin: [0. 0. 0.] .Warning: Basis not found for atom 0 O output file: /dev/null ..WARN: Fail in reading /tmp/tmpexl9zvmx. Use MINAO initial guess ..output file: /dev/null output file: /dev/null .ECP lanl2dz not found for O .output file: /dev/null ......WARN: A1g HOMO 0.790973840498402 > system LUMO -0.656109050488459 WARN: A1u LUMO -0.656109050488459 < system HOMO 0.790973840498402 WARN: E1uy HOMO -0.558413963720421 > system LUMO -0.656109050488459 WARN: E1ux HOMO -0.558413963720421 > system LUMO -0.656109050488459 WARN: A1g HOMO 0.375403321704209 > system LUMO -0.52510408037202 WARN: A1u LUMO -0.52510408037202 < system HOMO 0.375403321704209 WARN: A1g HOMO 0.401950751681829 > system LUMO -0.476138571983469 WARN: A1u LUMO -0.476138571983469 < system HOMO 0.401950751681829 WARN: A1g HOMO 0.401393990445034 > system LUMO -0.476334950130306 WARN: A1u LUMO -0.476334950130306 < system HOMO 0.401393990445034 WARN: A1g HOMO 0.401411382439573 > system LUMO -0.476246745051275 WARN: A1u LUMO -0.476246745051275 < system HOMO 0.401411382439573 WARN: A1g HOMO 0.401379501275203 > system LUMO -0.476284149317525 WARN: A1u LUMO -0.476284149317525 < system HOMO 0.401379501275203 WARN: A1g HOMO 0.401386210059676 > system LUMO -0.476280686080066 WARN: A1u LUMO -0.476280686080066 < system HOMO 0.401386210059676 WARN: A1g HOMO 0.401385909196364 > system LUMO -0.476280720764207 WARN: A1u LUMO -0.476280720764207 < system HOMO 0.401385909196364 ...Overwritten attributes get_ovlp get_hcore of converged SCF energy = 0.2 .....output file: /dev/null ....output file: /dev/null ......SCF not converged. SCF energy = -75.7236549363315 converged SCF energy = -75.5614333666719 .... pyscf/scf/test/test_stability.py output file: /dev/null .converged SCF energy = -149.524483960475 converged SCF energy = -108.888295356387 ...converged SCF energy = -149.609744335719 = 2.0354095 2S+1 = 3.0235142 converged SCF energy = -149.609744335719 = 2.0354095 2S+1 = 3.0235142 ... pyscf/scf/test/test_uhf.py WARN: system HOMO 0.100626554688217 >= system LUMO -0.476818251418644 output file: /dev/null output file: /dev/null output file: /dev/null converged SCF energy = -0.466581849557275 = 0.75 2S+1 = 2 converged SCF energy = -0.466581849557275 = 0.75 2S+1 = 2 ....Overwritten attributes get_hcore of WARN: alpha nocc = 7 HOMO -9.0621373864428 >= LUMO -9.0621373864428 WARN: beta nocc = 7 HOMO -9.0621373864428 >= LUMO -9.0621373864428 WARN: system HOMO -9.0621373864428 >= system LUMO -9.0621373864428 ........output file: /dev/null .Warning: must be initialized before calling SCF. Initialize in ............WARN: alpha-A1g HOMO -0.404459356383815 > system LUMO -0.404459356383815 WARN: beta-A1g LUMO -0.404459356383815 < system HOMO -0.404459356383815 .WARN: beta-A1u LUMO -0.656109050488459 < system HOMO -0.404459356383815 .Overwritten attributes get_ovlp get_hcore of converged SCF energy = 1 = 2 2S+1 = 3 ....converged SCF energy = -75.7263969090366 = 2.0038015 2S+1 = 3.0025333 converged SCF energy = -75.2245037720557 = 3.0019372 2S+1 = 3.6066257 ..output file: /dev/null ...WARN: alpha-A1 LUMO 0.100626554688218 < system HOMO 0.198508644776466 WARN: alpha-B2 HOMO 0.198508644776466 > system LUMO -0.476818251418645 WARN: beta-A1 LUMO 0.100626554688218 < system HOMO 0.198508644776466 WARN: beta-B2 LUMO 0.198508644776466 < system HOMO 0.198508644776466 WARN: alpha-B2 HOMO -0.444030706267461 > system LUMO -0.838745087395788 WARN: alpha-B2 HOMO -0.417313188723085 > system LUMO -0.604237958798905 WARN: alpha-B2 HOMO -0.420243713719427 > system LUMO -0.590716306950001 WARN: alpha-B2 HOMO -0.422142131595179 > system LUMO -0.586435350303592 WARN: alpha-B2 HOMO -0.422813147128584 > system LUMO -0.58534420758394 WARN: alpha-B2 HOMO -0.422833541001453 > system LUMO -0.585241383901399 WARN: alpha-B2 HOMO -0.42282104341302 > system LUMO -0.585276649173504 WARN: alpha-B2 HOMO -0.422821534893452 > system LUMO -0.585274419156951 WARN: alpha-B2 HOMO -0.422821159425841 > system LUMO -0.585273839864756 .. pyscf/scf/test/test_vhf.py output file: /dev/null ......... pyscf/sgx/test/test_sgx.py .converged SCF energy = -76.026797861897 .converged SCF energy = -76.026864222197 converged SCF energy = -76.0267374703505 . pyscf/sgx/test/test_sgx_jk.py ... pyscf/solvent/test/test_cosmors.py .... pyscf/solvent/test/test_ddcosmo.py output file: /dev/null ..WARN: len(magmom) != natm. Set magmom to zero output file: /dev/null output file: /dev/null ..WARN: HOMO -0.466581849557275 == LUMO -0.466581849557275 WARN: HOMO -0.138370373941112 == LUMO -0.138370373941112 WARN: HOMO -0.138370373941112 == LUMO -0.138370373941112 output file: /dev/null output file: /dev/null ..converged SCF energy = -1.06933527174378 WARN: It is recommended to call density_fit() before applying a solvent model. Calling density_fit() after the solvent model may result in incorrect nuclear gradients, TDDFT and other methods. converged SCF energy = -1.06933527174378 ........ pyscf/solvent/test/test_ddcosmo_grad.py ..converged SCF energy = -1.18030499115103 WARN: The code for CASCI gradients was based on variational CASCI wavefunction. However, the ddCOSMO-CASCI energy was not computed variationally. Approximate gradients are evaluated here. A small error may be expected in the gradients which corresponds to the contribution of MCSCF_DM * V_solvent[d/dX MCSCF_DM] + V_solvent[MCSCF_DM] * d/dX MCSCF_DM converged SCF energy = -1.18030499115104 CASCI E = -1.16912342555180 E(CI) = -1.28466295743981 S^2 = 0.0000000 CASCI E = -1.16913854112823 E(CI) = -1.28464873960153 S^2 = 0.0000000 CASCI E = -1.16913902803667 E(CI) = -1.28464885205323 S^2 = 0.0000000 CASCI E = -1.16913903909721 E(CI) = -1.28464885468296 S^2 = 0.0000000 Total energy with solvent effects CASCI E = -1.18433669486790 E(CI) = -1.28464885468296 S^2 = 0.0000000 --------------- ddCOSMOCASCI_Scanner (+ddCOSMO) gradients --------------- x y z 0 H 0.3285835581 0.3965436841 0.5755033403 1 H 0.8277468600 -1.0340530732 -0.7719142384 2 H -0.5613247220 0.3104924766 0.6000906154 3 H -0.5950056961 0.3270169125 -0.4036797173 ---------------------------------------------- converged SCF energy = -1.17832404272098 CASCI E = -1.18234981123583 E(CI) = -1.28878434959366 S^2 = 0.0000000 CASCI E = -1.16915206863705 E(CI) = -1.28477215780678 S^2 = 0.0000000 CASCI E = -1.16914524967634 E(CI) = -1.28477094380966 S^2 = 0.0000000 CASCI E = -1.16914509409128 E(CI) = -1.28477090888444 S^2 = 0.0000000 Total energy with solvent effects CASCI E = -1.18433366101659 E(CI) = -1.28477090888444 S^2 = 0.0000000 converged SCF energy = -1.17820938480526 CASCI E = -1.18223450543691 E(CI) = -1.28873220306072 S^2 = 0.0000000 CASCI E = -1.16903585472393 E(CI) = -1.28471991638111 S^2 = 0.0000000 CASCI E = -1.16902902861736 E(CI) = -1.28471870162120 S^2 = 0.0000000 CASCI E = -1.16902887288680 E(CI) = -1.28471866668139 S^2 = 0.0000000 Total energy with solvent effects CASCI E = -1.18421857443406 E(CI) = -1.28471866668139 S^2 = 0.0000000 .converged SCF energy = -1.18030499115103 WARN: The code for CASSCF gradients was based on variational CASSCF wavefunction. However, the ddCOSMO-CASSCF energy was not computed variationally. Approximate gradients are evaluated here. A small error may be expected in the gradients which corresponds to the contribution of MCSCF_DM * V_solvent[d/dX MCSCF_DM] + V_solvent[MCSCF_DM] * d/dX MCSCF_DM converged SCF energy = -1.18030499115104 WARN: CASSCF+ddCOSMO may not be able to converge to conv_tol=1e-09 CASSCF energy = -1.19627533436529 CASCI E = -1.19627533436529 E(CI) = -1.99926267289312 S^2 = 0.0000000 --------------- ddCOSMOCASSCF_Scanner (+ddCOSMO) gradients --------------- x y z 0 H 0.3416103053 0.3984645843 0.5767174873 1 H 0.8287143702 -1.0352713198 -0.7717165370 2 H -0.5724915706 0.3080654615 0.5981721143 3 H -0.5978331049 0.3287412740 -0.4031730645 ---------------------------------------------- converged SCF energy = -1.17832404272098 WARN: CASSCF+ddCOSMO may not be able to converge to conv_tol=1e-09 CASSCF energy = -1.18344150470916 CASCI E = -1.18344150470916 E(CI) = -1.29276866951839 S^2 = 0.0000000 converged SCF energy = -1.17820938480526 WARN: CASSCF+ddCOSMO may not be able to converge to conv_tol=1e-09 CASSCF energy = -1.18332602419629 CASCI E = -1.18332602419629 E(CI) = -1.29270951537799 S^2 = 0.0000000 .converged SCF energy = -1.18030499115103 WARN: Approximate gradients are evaluated here. A small error may be expected in the gradients which corresponds to the contribution of DM * V_solvent[d/dX DM] + V_solvent[DM] * d/dX DM converged SCF energy = -1.18030499115104 converged SCF energy = -1.18030499115364 E(CCSD_Scanner) = -1.20612069429831 E_corr = -0.02581570314467446 converged SCF energy = -1.18022058410257 E(CCSD_Scanner) = -1.206041332967831 E_corr = -0.02582074886526532 converged SCF energy = -1.18021937891372 E(CCSD_Scanner) = -1.206040229195354 E_corr = -0.02582085028163002 converged SCF energy = -1.18021934702288 E(CCSD_Scanner) = -1.206040219126024 E_corr = -0.02582087210314164 converged SCF energy = -1.18021934627634 E(CCSD_Scanner) = -1.206040225472474 E_corr = -0.02582087919612931 E(ddCOSMOCCSD_Scanner) = -1.206040225472474 E_corr = -0.02582087919612931 --------------- ddCOSMOCCSD_Scanner (+ddCOSMO) gradients --------------- x y z 0 H 0.3433152304 0.3975301520 0.5785345026 1 H 0.8366904673 -1.0391164762 -0.7694660052 2 H -0.5709380745 0.3083159192 0.5989131499 3 H -0.6090676232 0.3332704050 -0.4079816474 ---------------------------------------------- converged SCF energy = -1.17832404272097 converged SCF energy = -1.18034140779279 E(CCSD_Scanner) = -1.206159141228444 E_corr = -0.02581773343565645 converged SCF energy = -1.18027735392909 E(CCSD_Scanner) = -1.20609877436303 E_corr = -0.02582142043393698 converged SCF energy = -1.18027659534893 E(CCSD_Scanner) = -1.206098087682751 E_corr = -0.02582149233381934 converged SCF energy = -1.18027657440786 E(CCSD_Scanner) = -1.206098082197736 E_corr = -0.02582150778987809 converged SCF energy = -1.18027657390228 E(CCSD_Scanner) = -1.206098086831109 E_corr = -0.02582151292882718 E(ddCOSMOCCSD) = -1.206098086831109 E_corr = -0.02582151292882718 converged SCF energy = -1.17820938480526 converged SCF energy = -1.18022696160799 E(CCSD_Scanner) = -1.206043426969306 E_corr = -0.02581646536131618 converged SCF energy = -1.1801629053523 E(CCSD_Scanner) = -1.205983059165479 E_corr = -0.02582015381317568 converged SCF energy = -1.18016214652766 E(CCSD_Scanner) = -1.205982372292574 E_corr = -0.02582022576491557 converged SCF energy = -1.18016212557752 E(CCSD_Scanner) = -1.205982366808738 E_corr = -0.02582024123122038 converged SCF energy = -1.18016212507152 E(CCSD_Scanner) = -1.205982371445451 E_corr = -0.0258202463739319 E(ddCOSMOCCSD) = -1.205982371445451 E_corr = -0.0258202463739319 ......converged SCF energy = -1.18030499115103 --------------- ddCOSMORHF (+ddCOSMO) gradients --------------- x y z 0 H 0.3175859136 0.3932221901 0.5722004535 1 H 0.8329455238 -1.0372977654 -0.7749267821 2 H -0.5535637804 0.3139138607 0.6023266411 3 H -0.5969676570 0.3301617146 -0.3996003124 ---------------------------------------------- converged SCF energy = -1.18036221023438 converged SCF energy = -1.18024777013542 converged SCF energy = -0.831524217916429 --------------- ddCOSMORHF_Scanner (+ddCOSMO) gradients --------------- x y z 0 H 1.2466891946 -1.2466891946 -0.0621243572 1 H 0.3573150882 -0.3573150882 -0.4725413878 2 H -1.2429188895 1.2429188895 0.3229641582 3 H -0.3610853933 0.3610853933 0.2117015868 ---------------------------------------------- converged SCF energy = -0.83152421791642 --------------- ddCOSMORHF (+ddCOSMO) gradients --------------- x y z 0 H 1.2466891509 -1.2466891509 -0.0621243097 1 H 0.3573150950 -0.3573150950 -0.4725414241 2 H -1.2429188656 1.2429188656 0.3229641858 3 H -0.3610853803 0.3610853803 0.2117015481 ---------------------------------------------- ..converged SCF energy = -0.877594776272973 Excited State energies (eV) [19.561457 30.987964 68.940458] --------------- ddCOSMORHF (+ddCOSMO) gradients --------------- x y z 0 H 0.8299969187 0.8299969187 0.1659949838 1 H -0.8299969187 -0.8299969187 -0.1659949838 ---------------------------------------------- converged SCF energy = -0.877594776273602 Excited State energies (eV) [19.561434 30.987944 68.940486] --------------- ddCOSMOTDA_Scanner (+ddCOSMO) gradients --------------- x y z 0 H 1.0376881661 1.0376881661 0.2077009926 1 H -1.0376881661 -1.0376881661 -0.2077009926 ---------------------------------------------- --------------- ddCOSMOTDA (+ddCOSMO) gradients --------------- x y z 0 H 1.0376875371 1.0376875371 0.2077008671 1 H -1.0376875371 -1.0376875371 -0.2077008671 ---------------------------------------------- converged SCF energy = -0.87776153393859 Excited State energies (eV) [19.560316 30.987991 68.9333 ] converged SCF energy = -0.877429545526644 Excited State energies (eV) [19.562586 30.987938 68.947549] .converged SCF energy = -1.18030499115103 --------------- ddCOSMORHF (+ddCOSMO) gradients --------------- x y z 0 H 0.3175859136 0.3932221901 0.5722004535 1 H 0.8329455238 -1.0372977654 -0.7749267821 2 H -0.5535637804 0.3139138607 0.6023266411 3 H -0.5969676570 0.3301617146 -0.3996003124 ---------------------------------------------- converged SCF energy = -1.18087709505125 converged SCF energy = -1.17973269402405 . pyscf/solvent/test/test_ddcosmo_tdscf_grad.py .......... pyscf/solvent/test/test_ddpcm.py does not have attributes method WARN: ddPCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. output file: /dev/null output file: /dev/null .. pyscf/solvent/test/test_pcm.py Energy error in RHF with COSMO: 2.842170943040401e-14 .Energy error in RHF with C-PCM: 2.842170943040401e-14 .Energy error in RHF with IEF-PCM: 9.947598300641403e-14 .Energy error in RHF with SS(V)PE: 4.263256414560601e-14 ....Energy error in DFRKS with IEF-PCM: 3.410605131648481e-13 .Energy error in DFUKS with IEF-PCM: 3.694822225952521e-13 ..Energy error in RKS with IEF-PCM: 2.842170943040401e-14 .Warning: must be initialized before calling SCF. Initialize in WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. output file: /dev/null .Energy error in UHF with IEF-PCM: 9.947598300641403e-14 .Energy error in UKS with IEF-PCM: 1.1368683772161603e-13 . pyscf/solvent/test/test_pcm_grad.py output file: /dev/null ...WARN: Mole.unit (angstrom) is changed to B .Gradient error in RHF with COSMO: 6.315530606593519e-09 .Gradient error in RHF with CPCM: 6.064432872029352e-09 .Gradient error in RHF with IEFPCM: 5.4301482692633504e-09 .Gradient error in RHF with SS(V)PE: 4.082806469740213e-09 .Gradient error in UHF with IEFPCM: 5.430150481203037e-09 . pyscf/solvent/test/test_pcm_hessian.py WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. output file: /dev/null testing C-PCM dV_solv/dx .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. testing IEF-PCM dV_solv/dx .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. testing SS(V)PE dV_solv/dx .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: Mole.unit (angstrom) is changed to Bohr WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: Mole.unit (angstrom) is changed to Bohr WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. testing C-PCM Hessian with DF-RKS Norm of H(0,0) diff, 2.4774286537789027e-05 Norm of H(0,1) diff, 9.117637980066795e-06 .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: Mole.unit (angstrom) is changed to Bohr WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: Mole.unit (angstrom) is changed to Bohr WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. testing IEF-PCM hessian with DF-RKS Norm of H(0,0) diff, 2.4798709535595444e-05 Norm of H(0,1) diff, 9.114149213002529e-06 .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. testing IEF-PCM d2E_nuc/dx2 .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. testing IEF-PCM d2E_elec/dx2 .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. testing C-PCM d2E_KR/dx2 .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. testing IEF-PCM d2E_KR/dx2 .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. testing SS(V)PE d2E_KR/dx2 .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: Mole.unit (angstrom) is changed to Bohr WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: Mole.unit (angstrom) is changed to Bohr WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. testing IEF-PCM hessian with DF-UKS Norm of H(0,0) diff, 2.4767003536179997e-05 Norm of H(0,1) diff, 9.079622295189307e-06 . pyscf/solvent/test/test_pcm_tdscf.py WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. does not have attributes cphf_grids WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. does not have attributes cphf_grids WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. output file: /dev/null .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. .WARN: PCM is an experimental feature. It is still in testing. Features and APIs may be changed in the future. . pyscf/solvent/test/test_pol_embed.py output file: /dev/null output file: /dev/null sssssss pyscf/solvent/test/test_smd.py output file: /dev/null sssssssssssssssssss pyscf/solvent/test/test_smd_grad.py output file: /dev/null sssssssssssss pyscf/solvent/test/test_smd_hessian.py output file: /dev/null ssssssssssssss pyscf/soscf/test/test_newton_ah.py output file: /dev/null output file: /dev/null output file: /dev/null output file: /dev/null output file: /dev/null output file: /dev/null converged SCF energy = -2.80778395753997 ...........WARN: system HOMO -0.474582388935664 >= system LUMO -0.474582388935664 .WARN: system HOMO -0.474582388935663 >= system LUMO -0.474582388935663 .WARN: alpha-B1 HOMO -0.474582388935663 > system LUMO -0.474582388935663 .WARN: system HOMO -0.426968666148784 >= system LUMO -0.426968666148784 .WARN: alpha-B1 HOMO -0.188523345843501 > system LUMO -0.188523345843501 WARN: alpha-B2 HOMO -0.188523345843501 > system LUMO -0.188523345843501 WARN: alpha-B3 HOMO -0.188523345843501 > system LUMO -0.188523345843501 WARN: beta-B1 HOMO -0.188523345843501 > system LUMO -0.188523345843501 WARN: beta-B2 HOMO -0.188523345843501 > system LUMO -0.188523345843501 WARN: alpha-B1 HOMO -0.180429482784365 > system LUMO -0.180429482784365 WARN: alpha-B2 HOMO -0.180429482784364 > system LUMO -0.180429482784365 WARN: alpha-B3 HOMO -0.180429482784365 > system LUMO -0.180429482784365 WARN: beta-B1 HOMO -0.180429482784365 > system LUMO -0.180429482784365 WARN: beta-B2 HOMO -0.180429482784364 > system LUMO -0.180429482784365 WARN: beta-B1 HOMO -0.4306936285308 > system LUMO -0.430693628530799 WARN: beta-B3 HOMO -0.430960061334077 > system LUMO -0.430693628530799 .WARN: system HOMO -0.40220417567342 >= system LUMO -0.40220417567342 .WARN: system HOMO -0.460823893561095 >= system LUMO -0.460823893561095 ..converged SCF energy = -914.53936147065 WARN: Orbital degeneracy broken .converged SCF energy = -37.5906826042057 converged SCF energy = -54.3973578450836 ... pyscf/symm/test/test_Dmatrix.py ... pyscf/symm/test/test_addons.py .... pyscf/symm/test/test_basis.py ............ pyscf/symm/test/test_geom.py .......................................................... pyscf/symm/test/test_sph.py .. pyscf/tdscf/test/test_tddks.py WARN: Singularity detected in overlap matrix (condition number = 2.91e+06). SCF may be inaccurate and hard to converge. WARN: Singularity detected in overlap matrix (condition number = 2.91e+06). SCF may be inaccurate and hard to converge. WARN: HOMO -0.0535841219659487 == LUMO -0.0535841219380751 WARN: HOMO -0.0289425627369482 == LUMO -0.0289425627342472 output file: /dev/null ....WARN: Ground state SCF is not converged .WARN: Ground state SCF is not converged . pyscf/tdscf/test/test_tdgks.py WARN: HOMO -0.0572991040792036 == LUMO -0.0572991040792036 output file: /dev/null converged SCF energy = -76.3850439473609 = -8.8817842e-16 2S+1 = 1 converged SCF energy = -75.9839484981057 = 4.2321702e-13 2S+1 = 1 ......Excited State energies (eV) [10.870394 11.586878 11.586878] ..Excited State energies (eV) [10.820375 11.586878 11.586878] .converged SCF energy = -75.9839484981052 = 1.577849e-12 2S+1 = 1 Excited State energies (eV) [11.711052 11.711055 11.711058] . pyscf/tdscf/test/test_tdrhf.py output file: /dev/null .converged SCF energy = -108.835774209929 Excited State energies (eV) [6.081665] converged SCF energy = -108.835774209929 Excited State energies (eV) [3.849684] .WARN: Not enough memory to store trial space in _lr_eig.eigh .... pyscf/tdscf/test/test_tdrks.py output file: /dev/null .....WARN: Ground state SCF is not converged .WARN: Ground state SCF is not converged WARN: Ground state SCF is not converged ....WARN: Excited state starts from 1. Set state=1 for first excited state. ........converged SCF energy = -1.14670613191817 Excited State energies (eV) [16.250219 27.937202 49.466569] Excited State energies (eV) [16.250219 27.937202 49.466569] converged SCF energy = -1.14476667934081 Excited State energies (eV) [16.412375 28.246114 49.730812] Excited State energies (eV) [16.412375 28.246114 49.730812] .WARN: Not enough eigenvectors (len(x0)=2, nroots=3) .......WARN: Not enough eigenvectors (len(x0)=2, nroots=3) .WARN: Not enough eigenvectors (len(x0)=2, nroots=3) .. pyscf/tdscf/test/test_tdrks_vv10.py Overwritten attributes exclude_nlc of output file: /dev/null output file: /dev/null ..Overwritten attributes exclude_nlc of . pyscf/tdscf/test/test_tduhf.py WARN: beta nocc = 4 HOMO -0.663592825229776 >= LUMO -0.663592825229776 WARN: system HOMO 0.13870184939329 >= system LUMO -0.663592825229776 output file: /dev/null ...... pyscf/tdscf/test/test_tduks.py WARN: system HOMO 0.12399495943727 >= system LUMO -0.474582388935664 WARN: system HOMO 0.0551332621382531 >= system LUMO -0.334788045268386 WARN: system HOMO 0.0886465408897293 >= system LUMO -0.282758782928139 WARN: system HOMO 0.0886441889118627 >= system LUMO -0.282773616886391 WARN: system HOMO 0.0886441889122098 >= system LUMO -0.282773616885434 WARN: HOMO -0.006782407814811627 > LUMO -0.2827736168854337 was found in the canonicalized orbitals. WARN: system HOMO 0.00727888112258558 >= system LUMO -0.403556163792181 WARN: system HOMO 0.0206305033555109 >= system LUMO -0.330349340720082 WARN: system HOMO 0.020631936290629 >= system LUMO -0.330363795930192 WARN: system HOMO 0.0206319362926671 >= system LUMO -0.330363795927964 WARN: HOMO -0.04317085164334442 > LUMO -0.33036379592796417 was found in the canonicalized orbitals. WARN: system HOMO 0.0253009809400238 >= system LUMO -0.423203468803303 WARN: system HOMO 0.0524490807336273 >= system LUMO -0.267789325739232 WARN: system HOMO 0.0524457365889231 >= system LUMO -0.267803128099594 WARN: system HOMO 0.0524457365891391 >= system LUMO -0.267803128099395 WARN: HOMO -0.06200886137628734 > LUMO -0.2678031280993943 was found in the canonicalized orbitals. WARN: system HOMO 0.0225616257110216 >= system LUMO -0.412606810788662 WARN: system HOMO 0.0562451659168659 >= system LUMO -0.278873334527437 WARN: system HOMO 0.0485614052784839 >= system LUMO -0.304443047703534 WARN: system HOMO 0.0571482173723586 >= system LUMO -0.295130522095198 WARN: system HOMO 0.057191988272203 >= system LUMO -0.295108199128354 WARN: system HOMO 0.0570417942195872 >= system LUMO -0.295151444354703 WARN: system HOMO 0.0569846652235033 >= system LUMO -0.295155742153026 WARN: system HOMO 0.0569766822742799 >= system LUMO -0.295157007013834 output file: /dev/null ........WARN: alpha-A1 HOMO 0.123994959437269 > system LUMO -0.474582388935663 WARN: alpha-B1 HOMO -0.474582388935663 > system LUMO -0.474582388935663 WARN: beta-A1 LUMO 0.123994959437269 < system HOMO 0.123994959437269 WARN: Excited state starts from 1. Set state=1 for first excited state. ....converged SCF energy = -1.14670613191817 = 0 2S+1 = 1 Excited State energies (eV) [13.905049 16.250218 23.55378 27.937202 42.784943] converged SCF energy = -1.14476667934081 = -8.8817842e-16 2S+1 = 1 Excited State energies (eV) [12.983606 16.412375 22.843946 28.246114 42.306178] .WARN: alpha-A1 HOMO 0.00960666559810814 > system LUMO -0.40220417567342 WARN: alpha-B1 HOMO -0.40220417567342 > system LUMO -0.40220417567342 WARN: beta-A1 LUMO 0.00960666559810814 < system HOMO 0.00960666559810814 WARN: alpha-A1 HOMO -0.0331170239886181 > system LUMO -0.317640540015863 WARN: alpha-A1 HOMO -0.0405528836413853 > system LUMO -0.358159237314036 WARN: alpha-A1 HOMO -0.0377311299595842 > system LUMO -0.353196723402985 WARN: alpha-A1 HOMO -0.0380399599628733 > system LUMO -0.353189244557366 WARN: alpha-A1 HOMO -0.0380254811043467 > system LUMO -0.353206734680391 WARN: alpha-A1 HOMO -0.0380259995448582 > system LUMO -0.353206261452321 WARN: alpha-A1 HOMO -0.0380259900087165 > system LUMO -0.353206229367642 .....WARN: alpha-A1 HOMO 0.00960666559810782 > system LUMO -0.40220417567342 WARN: alpha-B1 HOMO -0.40220417567342 > system LUMO -0.40220417567342 WARN: beta-A1 LUMO 0.00960666559810782 < system HOMO 0.00960666559810782 WARN: alpha-A1 HOMO -0.0331170239886129 > system LUMO -0.317640540015866 WARN: alpha-A1 HOMO -0.0405528836413822 > system LUMO -0.358159237314037 WARN: alpha-A1 HOMO -0.0377311299595827 > system LUMO -0.353196723402985 WARN: alpha-A1 HOMO -0.0380399599628728 > system LUMO -0.353189244557366 WARN: alpha-A1 HOMO -0.0380254811043407 > system LUMO -0.35320673468039 WARN: alpha-A1 HOMO -0.0380259995448648 > system LUMO -0.353206261452321 WARN: alpha-A1 HOMO -0.0380259900087192 > system LUMO -0.353206229367643 .WARN: alpha-A1 HOMO 0.123994959437268 > system LUMO -0.474582388935663 WARN: alpha-B1 HOMO -0.474582388935663 > system LUMO -0.474582388935663 WARN: beta-A1 LUMO 0.123994959437268 < system HOMO 0.123994959437268 . pyscf/tools/test/test_cubegen.py ...output file: /dev/null . pyscf/tools/test/test_fcidump.py ..Parsing /tmp/tmpsvjw_g34 Parsing /tmp/tmpy9lrioqg .Overwritten attributes get_ovlp get_hcore of Parsing /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscftmpdir/tmpv01_qjzr converged SCF energy = -107.495893307834 .converged SCF energy = -1.06610864931794 WARN: FCIDUMP does not support point group symmetry Dooh. Converting to its subgroup D2h. Parsing /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscftmpdir/tmpzqy5j4r6 . pyscf/tools/test/test_finite_diff.py .. ******** ******** method = RHF initial guess = minao damping factor = 0 level_shift factor = 0 DIIS = diis_start_cycle = 1 diis_space = 8 diis_damp = 0 SCF conv_tol = 1e-09 SCF conv_tol_grad = None SCF max_cycles = 50 direct_scf = True direct_scf_tol = 1e-13 max_memory 4000 MB (current use 1008 MB) Set gradient conv threshold to 3.16228e-05 Initial guess from minao. init E= -0.691603264306376 HOMO = -0.402206600618452 LUMO = 0.361046123922442 cycle= 1 E= -1.06610864931794 delta_E= -0.375 |g|= 2.22e-16 |ddm|= 0.9 HOMO = -0.484441680354209 LUMO = 0.457501939047873 cycle= 2 E= -1.06610864931794 delta_E= 0 |g|= 0 |ddm|= 2.72e-16 HOMO = -0.484441680354209 LUMO = 0.457501939047873 Extra cycle E= -1.06610864931794 delta_E= 0 |g|= 0 |ddm|= 0 converged SCF energy = -1.06610864931794 ******** for ******** unit = Eh/Bohr max_memory 4000 MB (current use 1008 MB) --------------- RHF gradients --------------- x y z 0 H 0.0000000000 0.0000000000 -0.1485715746 1 H 0.0000000000 0.0000000000 0.1485715746 ---------------------------------------------- Computing finite-difference Gradients for {method} WARN: conv_tol 0.001 with displacement 0.005 might be insufficinet Apply {method}.scanner Create scanner for .AlwaysFailed'> WARN: Mole.unit (angstrom) is changed to Bohr New geometry 1 H 0.002645886055 0.000000000000 0.000000000000 AA 0.005000000000 0.000000000000 0.000000000000 Bohr 2 H 0.000000000000 0.000000000000 1.000000000000 AA 0.000000000000 0.000000000000 1.889726124565 Bohr ******** ******** method = AlwaysFailed_Scanner initial guess = minao damping factor = 0 level_shift factor = 0 DIIS = diis_start_cycle = 1 diis_space = 8 diis_damp = 0 SCF conv_tol = 0.001 SCF conv_tol_grad = None SCF max_cycles = 50 direct_scf = True direct_scf_tol = 1e-13 max_memory 4000 MB (current use 1008 MB) Set gradient conv threshold to 0.0316228 init E= -1.06610633131926 HOMO = -0.484441436457787 LUMO = 0.457498204190674 cycle= 1 E= -1.06610766655876 delta_E= -1.34e-06 |g|= 2.22e-16 |ddm|= 1.84e-06 HOMO = -0.484440573198357 LUMO = 0.457499646565075 Extra cycle E= -1.06610766655876 delta_E= -8.88e-16 |g|= 0 |ddm|= 4.71e-16 converged SCF energy = -1.06610766655876 New geometry 1 H 0.000000000000 0.000000000000 0.000000000000 AA 0.000000000000 0.000000000000 0.000000000000 Bohr 2 H 0.000000000000 0.000000000000 1.000000000000 AA 0.000000000000 0.000000000000 1.889726124565 Bohr ..... pyscf/tools/test/test_mo_mapping.py . WARN: Required orbitals are not found .. pyscf/tools/test/test_molden.py ..... pyscf/tools/test/test_qcschema.py ECP def2-svp not found for He ECP def2-svp not found for H Dipole moment(X, Y, Z, Debye): 0.00000, -0.00000, -1.08948 . pyscf/x2c/test/test_tdscf.py WARN: HOMO -0.0573070260614157 == LUMO -0.0573070260522865 WARN: HOMO -0.0330089758154642 == LUMO -0.0330089758062105 output file: /dev/null ...WARN: HOMO -0.117750477500902 == LUMO -0.117750477492183 ... pyscf/x2c/test/test_x2c.py output file: /dev/null . WARN: HOMO -0.0372356359662374 == LUMO -0.0369693195803584 converged SCF energy = -37.6494036946543 converged SCF energy = -37.6494036946435 = 1.3333333 2S+1 = 2.5166115 Dipole moment(X, Y, Z, Debye): 0.00000, -0.00000, 0.00000 Dipole moment(X, Y, Z, Debye): 0.00000, 0.00000, 0.00000 . WARN: HOMO -0.129969371950545 == LUMO -0.129643913423561 converged SCF energy = -37.8217455761947 converged SCF energy = -37.821745576184 = 1.3333333 2S+1 = 2.5166115 Dipole moment(X, Y, Z, Debye): 0.00000, -0.00000, 0.00000 Dipole moment(X, Y, Z, Debye): 0.00000, 0.00000, 0.00000 ......... pyscf/x2c/test/test_x2c_grad.py ... pyscf/x2c/test/test_x2c_hess.py ..... =================================== FAILURES =================================== __________________________ KnownValues.test_rdm_trace __________________________ self = def test_rdm_trace(self): mycc = rccsd.RCCSD(mf) numpy.random.seed(2) nocc = 5 nmo = 12 nvir = nmo - nocc eri0 = numpy.random.random((nmo,nmo,nmo,nmo)) eri0 = ao2mo.restore(1, ao2mo.restore(8, eri0, nmo), nmo) fock0 = numpy.random.random((nmo,nmo)) fock0 = fock0 + fock0.T + numpy.diag(range(nmo))*2 t1 = numpy.random.random((nocc,nvir)) t2 = numpy.random.random((nocc,nocc,nvir,nvir)) t2 = t2 + t2.transpose(1,0,3,2) l1 = numpy.random.random((nocc,nvir)) l2 = numpy.random.random((nocc,nocc,nvir,nvir)) l2 = l2 + l2.transpose(1,0,3,2) h1 = fock0 - (numpy.einsum('kkpq->pq', eri0[:nocc,:nocc])*2 - numpy.einsum('pkkq->pq', eri0[:,:nocc,:nocc])) eris = lambda:None eris.oooo = eri0[:nocc,:nocc,:nocc,:nocc].copy() eris.ooov = eri0[:nocc,:nocc,:nocc,nocc:].copy() eris.ovoo = eri0[:nocc,nocc:,:nocc,:nocc].copy() eris.oovv = eri0[:nocc,:nocc,nocc:,nocc:].copy() eris.ovov = eri0[:nocc,nocc:,:nocc,nocc:].copy() eris.ovvo = eri0[:nocc,nocc:,nocc:,:nocc].copy() eris.ovvv = eri0[:nocc,nocc:,nocc:,nocc:].copy() eris.vvvv = eri0[nocc:,nocc:,nocc:,nocc:].copy() eris.fock = fock0 doo, dov, dvo, dvv = ccsd_rdm._gamma1_intermediates(mycc, t1, t2, l1, l2) self.assertAlmostEqual((numpy.einsum('ij,ij', doo, fock0[:nocc,:nocc]))*2, -20166.329861034799, 8) self.assertAlmostEqual((numpy.einsum('ab,ab', dvv, fock0[nocc:,nocc:]))*2, 58078.964019246778, 8) self.assertAlmostEqual((numpy.einsum('ai,ia', dvo, fock0[:nocc,nocc:]))*2, -74994.356886784764, 8) self.assertAlmostEqual((numpy.einsum('ia,ai', dov, fock0[nocc:,:nocc]))*2, 34.010188025702391, 9) fdm2 = lib.H5TmpFile() dovov, dvvvv, doooo, doovv, dovvo, dvvov, dovvv, dooov = \ ccsd_rdm._gamma2_outcore(mycc, t1, t2, l1, l2, fdm2, True) self.assertAlmostEqual(lib.fp(numpy.array(dovov)), -14384.907042073517, 9) self.assertAlmostEqual(lib.fp(numpy.array(dvvvv)), -25.374007033024839, 9) self.assertAlmostEqual(lib.fp(numpy.array(doooo)), 60.114594698129963, 9) self.assertAlmostEqual(lib.fp(numpy.array(doovv)), -79.176348067958401, 9) self.assertAlmostEqual(lib.fp(numpy.array(dovvo)), 9.864134457251815, 9) self.assertAlmostEqual(lib.fp(numpy.array(dovvv)), -421.90333700061342, 9) self.assertAlmostEqual(lib.fp(numpy.array(dooov)), -592.66863759586136, 9) fdm2 = None dovov, dvvvv, doooo, doovv, dovvo, dvvov, dovvv, dooov = \ ccsd_rdm._gamma2_intermediates(mycc, t1, t2, l1, l2) self.assertAlmostEqual(lib.fp(numpy.array(dovov)), -14384.907042073517, 9) self.assertAlmostEqual(lib.fp(numpy.array(dvvvv)), 45.872344902116758, 9) self.assertAlmostEqual(lib.fp(numpy.array(doooo)), 60.114594698129963, 9) self.assertAlmostEqual(lib.fp(numpy.array(doovv)), -79.176348067958401, 9) self.assertAlmostEqual(lib.fp(numpy.array(dovvo)), 9.864134457251815, 9) self.assertAlmostEqual(lib.fp(numpy.array(dovvv)), -421.90333700061342, 9) self.assertAlmostEqual(lib.fp(numpy.array(dooov)), -592.66863759586136, 9) self.assertAlmostEqual(numpy.einsum('kilj,kilj', doooo, eris.oooo)*2, 15939.9007625418, 7) self.assertAlmostEqual(numpy.einsum('acbd,acbd', dvvvv, eris.vvvv)*2, 37581.823919588 , 7) self.assertAlmostEqual(numpy.einsum('jkia,jkia', dooov, eris.ooov)*2, 128470.009687716, 7) self.assertAlmostEqual(numpy.einsum('icba,icba', dovvv, eris.ovvv)*2,-166794.225195056, 7) self.assertAlmostEqual(numpy.einsum('iajb,iajb', dovov, eris.ovov)*2,-719279.812916893, 7) self.assertAlmostEqual(numpy.einsum('jbai,jbia', dovvo, eris.ovov)*2+ numpy.einsum('jiab,jiba', doovv, eris.oovv)*2,-53634.0012286654, 7) dm1 = ccsd_rdm.make_rdm1(mycc, t1, t2, l1, l2) dm2 = ccsd_rdm.make_rdm2(mycc, t1, t2, l1, l2) e2 =(numpy.einsum('ijkl,ijkl', doooo, eris.oooo)*2 +numpy.einsum('acbd,acbd', dvvvv, eris.vvvv)*2 +numpy.einsum('jkia,jkia', dooov, eris.ooov)*2 +numpy.einsum('icba,icba', dovvv, eris.ovvv)*2 +numpy.einsum('iajb,iajb', dovov, eris.ovov)*2 +numpy.einsum('jbai,jbia', dovvo, eris.ovov)*2 +numpy.einsum('ijab,ijab', doovv, eris.oovv)*2 +numpy.einsum('ij,ij', doo, fock0[:nocc,:nocc])*2 +numpy.einsum('ai,ia', dvo, fock0[:nocc,nocc:])*2 +numpy.einsum('ia,ai', dov, fock0[nocc:,:nocc])*2 +numpy.einsum('ab,ab', dvv, fock0[nocc:,nocc:])*2 +fock0[:nocc].trace()*2 -numpy.einsum('kkpq->pq', eri0[:nocc,:nocc,:nocc,:nocc]).trace()*2 +numpy.einsum('pkkq->pq', eri0[:nocc,:nocc,:nocc,:nocc]).trace()) self.assertAlmostEqual(e2, -794721.197459942, 8) > self.assertAlmostEqual(numpy.einsum('pqrs,pqrs', dm2, eri0)*.5 + numpy.einsum('pq,qp', dm1, h1), e2, 9) E AssertionError: np.float64(-794721.1974599427) != np.float64(-794721.1974599418) within 9 places (np.float64(8.149072527885437e-10) difference) pyscf/cc/test/test_rccsd_lambda.py:263: AssertionError =============================== warnings summary =============================== pyscf/lib/gto/test/test_ecp.py:18 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/test/test_ecp.py:18: DeprecationWarning: scipy.misc is deprecated and will be removed in 2.0.0 import scipy.misc pyscf/mp/mp2f12_slow.py:36 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/mp/mp2f12_slow.py:36: UserWarning: Module MP2-F12 is under testing warnings.warn('Module MP2-F12 is under testing') pyscf/solvent/test/test_cosmors.py:77 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/solvent/test/test_cosmors.py:77: SyntaxWarning: "\[" is an invalid escape sequence. Such sequences will not work in the future. Did you mean "\\["? A raw string is also an option. E_diel = float(re.search('Dielectric energy \[a.u.\] += +(-*\d+\.\d+)', text).group(1)) pyscf/solvent/ddpcm.py:37 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/solvent/ddpcm.py:37: UserWarning: Module ddPCM is under testing warnings.warn('Module ddPCM is under testing') pyscf/agf2/test/test_dfragf2_h2o.py: 1 warning pyscf/agf2/test/test_dfuagf2_beh.py: 1 warning pyscf/agf2/test/test_ragf2_h2o.py: 4 warnings pyscf/agf2/test/test_uagf2_beh.py: 4 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/agf2/chempot.py:161: OptimizeWarning: Unknown solver options: maxiter opt = optimize.minimize(fun, args=fargs, **kwargs) pyscf/df/test/test_df_grad.py: 2 warnings pyscf/grad/test/test_casci.py: 1 warning pyscf/grad/test/test_casscf.py: 1 warning pyscf/grad/test/test_ccsd.py: 1 warning pyscf/grad/test/test_cisd.py: 1 warning pyscf/grad/test/test_mp2.py: 2 warnings pyscf/grad/test/test_tdrhf_grad.py: 1 warning pyscf/tdscf/test/test_tdrhf.py: 1 warning /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/mole.py:4345: DeprecationWarning: The API mol.RHF.run is deprecated and will be removed in a future release. Please use mol.RHF().run instead. warnings.warn( pyscf/df/test/test_df_grad.py::KnownValues::test_casscf_grad /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/mole.py:4345: DeprecationWarning: The API mol.RHF.density_fit is deprecated and will be removed in a future release. Please use mol.RHF().density_fit instead. warnings.warn( pyscf/df/test/test_df_grad.py::KnownValues::test_uhf_grad pyscf/tdscf/test/test_tduhf.py::KnownValues::test_symmetry_init_guess /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/mole.py:4345: DeprecationWarning: The API mol.UHF.run is deprecated and will be removed in a future release. Please use mol.UHF().run instead. warnings.warn( pyscf/df/test/test_df_grad.py::KnownValues::test_uks_gga_grad pyscf/df/test/test_df_grad.py::KnownValues::test_uks_lda_grad pyscf/df/test/test_df_hessian.py::KnownValues::test_uks_hess /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/mole.py:4345: DeprecationWarning: The API mol.UKS.run is deprecated and will be removed in a future release. Please use mol.UKS().run instead. warnings.warn( pyscf/df/test/test_df_grad.py::KnownValues::test_uks_gga_grad pyscf/df/test/test_df_hessian.py::KnownValues::test_uks_hess /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/mole.py:4345: DeprecationWarning: The API mol.UKS.density_fit is deprecated and will be removed in a future release. Please use mol.UKS().density_fit instead. warnings.warn( pyscf/df/test/test_df_hessian.py::KnownValues::test_rks_gga_hess pyscf/df/test/test_df_hessian.py::KnownValues::test_rks_lda_hess pyscf/df/test/test_df_hessian.py::KnownValues::test_rks_mgga_hess pyscf/df/test/test_df_hessian.py::KnownValues::test_rks_rsh_hess /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/mole.py:4345: DeprecationWarning: The API mol.RKS.run is deprecated and will be removed in a future release. Please use mol.RKS().run instead. warnings.warn( pyscf/df/test/test_df_hessian.py::KnownValues::test_rks_gga_hess pyscf/df/test/test_df_hessian.py::KnownValues::test_rks_lda_hess pyscf/df/test/test_df_hessian.py::KnownValues::test_rks_mgga_hess pyscf/df/test/test_df_hessian.py::KnownValues::test_rks_rsh_hess /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/mole.py:4345: DeprecationWarning: The API mol.RKS.density_fit is deprecated and will be removed in a future release. Please use mol.RKS().density_fit instead. warnings.warn( pyscf/dft/test/test_numint.py::KnownValues::test_eval_mat /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/dft/numint.py:636: UserWarning: Note the output of libxc.eval_xc cannot be directly used in eval_mat. vsigma from eval_xc should be restructured as (vsigma[:,0],vsigma[:,1]) warnings.warn('Note the output of libxc.eval_xc cannot be ' pyscf/dft/test/test_numint.py::KnownValues::test_rsh_omega /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/dft/test/test_numint.py:554: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) self.assertAlmostEqual(float(exc), -0.6359945579326314, 7) pyscf/dft/test/test_numint.py::KnownValues::test_rsh_omega /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/dft/test/test_numint.py:555: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) self.assertAlmostEqual(float(vxc[0]), -0.8712041561251518, 7) pyscf/dft/test/test_numint.py::KnownValues::test_rsh_omega /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/dft/test/test_numint.py:556: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) self.assertAlmostEqual(float(vxc[1]), -0.003911167644579979, 7) pyscf/dft/test/test_numint.py::KnownValues::test_rsh_omega /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/dft/test/test_numint.py:559: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) self.assertAlmostEqual(float(exc), -0.5406095865415561, 7) pyscf/dft/test/test_numint.py::KnownValues::test_rsh_omega /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/dft/test/test_numint.py:560: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) self.assertAlmostEqual(float(vxc[0]), -0.772123720263471, 7) pyscf/dft/test/test_numint.py::KnownValues::test_rsh_omega /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/dft/test/test_numint.py:561: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) self.assertAlmostEqual(float(vxc[1]), -0.00301639097170439, 7) pyscf/fci/test/test_addons.py::KnownValues::test_cylindrical_init_guess /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/addons.py:103: UserWarning: Initial guess for cylindrical symmetry is under testing warnings.warn('Initial guess for cylindrical symmetry is under testing') pyscf/fci/test/test_direct_nosym.py::KnownValues::test_kernel /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/direct_nosym.py:208: UserWarning: direct_nosym.kernel is not able to diagonalize non-Hermitian Hamiltonian. If h1e and h2e is not hermtian, calling symmetric diagonalization in eig can lead to wrong results. warnings.warn('direct_nosym.kernel is not able to diagonalize ' pyscf/fci/test/test_selected_ci.py::KnownValues::test_cas_2_2 pyscf/fci/test/test_selected_ci.py::KnownValues::test_h8 pyscf/fci/test/test_selected_ci.py::KnownValues::test_spin_square /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci.py:700: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) ci1 *= .5 pyscf/fci/test/test_selected_ci.py::KnownValues::test_cas_2_2 pyscf/fci/test/test_selected_ci.py::KnownValues::test_cas_2_2 pyscf/fci/test/test_selected_ci.py::KnownValues::test_h8 pyscf/fci/test/test_selected_ci.py::KnownValues::test_h8 pyscf/fci/test/test_selected_ci.py::KnownValues::test_spin_square pyscf/fci/test/test_selected_ci.py::KnownValues::test_spin_square /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci.py:701: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) ci1 += (neleca-nelecb)**2*.25*ci_coeff pyscf/fci/test/test_selected_ci.py::KnownValues::test_contract_2e_1 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/test/test_selected_ci.py:134: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) self.assertAlmostEqual(float(abs(c1-c2).sum()), 0, 9) pyscf/fci/test/test_selected_ci.py: 13 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:66: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) t1[a,i,str1] += sign * fcivec[str0] pyscf/fci/test/test_selected_ci.py::KnownValues::test_contract_2e_vs_slow_version /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:67: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) fcinew += numpy.einsum('ps,psab->ab', h_ps, t1) # (*) pyscf/fci/test/test_selected_ci.py: 15 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:73: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) fcinew[:,str0] += sign * t1[a,i,:,str1] pyscf/fci/test/test_selected_ci.py: 15 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:80: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) t1[a,i,:,str1] += sign * fcivec[:,str0] pyscf/fci/test/test_selected_ci.py::KnownValues::test_contract_2e_vs_slow_version /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:81: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) fcinew += numpy.einsum('ps,psab->ab', h_ps, t1) # (*) pyscf/fci/test/test_selected_ci.py: 13 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:87: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) fcinew[str0] += sign * t1[a,i,str1] pyscf/fci/test/test_selected_ci.py: 18 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:95: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) t1[i,j,str1] += sign * fcivec[str0] pyscf/fci/test/test_selected_ci.py: 18 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:101: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) fcinew[str0] += sign * t1[i,j,str1] pyscf/fci/test/test_selected_ci.py: 18 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:108: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) t1[i,j,:,str1] += sign * fcivec[:,str0] pyscf/fci/test/test_selected_ci.py: 18 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:114: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) fcinew[:,str0] += sign * t1[i,j,:,str1] pyscf/fci/test/test_selected_ci.py::KnownValues::test_contract_2e_vs_slow_version /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/test/test_selected_ci.py:466: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) self.assertAlmostEqual(abs(ci1-ciref).max(), 0, 12) pyscf/fci/test/test_selected_ci.py::KnownValues::test_enlarge_space /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/test/test_selected_ci.py:106: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) self.assertAlmostEqual(abs(cic[[0,1,5]][:,[0,1,2]] - ci_coeff).sum(), 0, 12) pyscf/fci/test/test_selected_ci.py::KnownValues::test_from_to_fci /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/test/test_selected_ci.py:285: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) self.assertAlmostEqual(abs(ci1-ci_coeff).sum(), 0, 12) pyscf/fci/test/test_selected_ci.py::KnownValues::test_guess_wfnsym /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/addons.py:279: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) idx = abs(ci).argmax() pyscf/fci/test/test_selected_ci.py::KnownValues::test_guess_wfnsym pyscf/fci/test/test_selected_ci.py::KnownValues::test_guess_wfnsym pyscf/fci/test/test_selected_ci.py::KnownValues::test_guess_wfnsym pyscf/fci/test/test_selected_ci.py::KnownValues::test_kernel_symm /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_symm.py:199: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) if all(abs(c.reshape(na, nb)[mask]).max() < 1e-5 for c in fcivec): pyscf/fci/test/test_selected_ci.py::KnownValues::test_h8 pyscf/fci/test/test_selected_ci.py::KnownValues::test_h8 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci.py:798: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) addra, addrb = numpy.where(abs(ci) > tol) pyscf/fci/test/test_selected_ci.py::KnownValues::test_kernel /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_spin0.py:83: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) abs_ci = abs(ci0).max(axis=0) pyscf/fci/test/test_selected_ci.py::KnownValues::test_kernel_symm /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/addons.py:249: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) ci1 *= 1/numpy.linalg.norm(ci1) pyscf/fci/test/test_selected_ci.py: 13 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:380: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) t1a[a,i,str1] += sign * fcivec[str0] pyscf/fci/test/test_selected_ci.py: 15 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:384: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) t1b[a,i,:,str1] += sign * fcivec[:,str0] pyscf/fci/test/test_selected_ci.py: 18 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:395: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) t1a[i,j,str1] += sign * fcivec[str0] pyscf/fci/test/test_selected_ci.py: 18 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/fci/selected_ci_slow.py:404: DeprecationWarning: __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) t1b[i,j,:,str1] += sign * fcivec[:,str0] pyscf/gto/test/test_basis_parser.py::KnownValues::test_basis_load /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/basis/__init__.py:660: UserWarning: Basis may be available in basis-set-exchange. It is recommended to install basis-set-exchange: pip install basis-set-exchange warnings.warn( pyscf/gto/test/test_ecp.py::KnownValues::test_pp_int pyscf/pbc/scf/test/test_hf.py::KnownValues::test_rhf_0d_inf_vacuum /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/moleintor.py:283: UserWarning: Function int1e_r2_origi_sph not found. Set its comp to 1 warnings.warn('Function %s not found. Set its comp to 1' % intor_name) pyscf/gto/test/test_ecp.py::KnownValues::test_pp_int pyscf/pbc/scf/test/test_hf.py::KnownValues::test_rhf_0d_inf_vacuum /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/moleintor.py:283: UserWarning: Function int1e_r4_origi_sph not found. Set its comp to 1 warnings.warn('Function %s not found. Set its comp to 1' % intor_name) pyscf/gto/test/test_mole.py::KnownValues::test_format_basis pyscf/gto/test/test_mole.py::KnownValues::test_uncontract /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/mole.py:537: UserWarning: For basis with kappa != 0, the uncontract basis might be wrong. Please double check the resultant attribute mol._basis warnings.warn('For basis with kappa != 0, the uncontract basis might be wrong. ' pyscf/gto/test/test_moleintor.py::KnownValues::test_unknonw /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/moleintor.py:283: UserWarning: Function int4c3e_sph not found. Set its comp to 1 warnings.warn('Function %s not found. Set its comp to 1' % intor_name) pyscf/hessian/test/test_thermo.py::KnownValues::test_thermo /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/gto/mole.py:4345: DeprecationWarning: The API mol.HF.run is deprecated and will be removed in a future release. Please use mol.HF().run instead. warnings.warn( pyscf/lib/test/test_linalg_helper.py::KnownValues::test_eig2 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/linalg_helper.py:926: UserWarning: Left eigenvectors from subspace diagonalization method may not be converged warnings.warn('Left eigenvectors from subspace diagonalization method may not be converged') pyscf/pbc/dft/test/test_rks.py::KnownValues::test_chkfile_k_point /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/pbc/gto/cell.py:1757: UserWarning: .nimgs is a deprecated attribute. It is replaced by .rcut attribute for lattice sum cutoff radius. The given nimgs [2, 2, 2] is far over the estimated cutoff radius 0.01. warnings.warn(msg) pyscf/pbc/gto/pseudo/test/test_pp.py: 128000 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/pbc/gto/pseudo/pp.py:213: DeprecationWarning: `scipy.special.sph_harm` is deprecated as of SciPy 1.15.0 and will be removed in SciPy 1.17.0. Please use `scipy.special.sph_harm_y` instead. return scipy.special.sph_harm(m,l,phi,theta) pyscf/pbc/gto/test/test_rcut.py::KnownValues::test_lattice_Ls_low_dim /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/pbc/gto/cell.py:1315: UserWarning: Electron number 1 and spin 0 are not consistent in cell warnings.warn('Electron number %d and spin %d are not consistent ' pyscf/pbc/scf/test/test_addons.py: 18 warnings pyscf/pbc/scf/test/test_khf_ksym.py: 32 warnings pyscf/scf/test/test_addons.py: 18 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/logger.py:114: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) rec.stdout.write(msg%args) pyscf/pbc/symm/test/test_basis.py::KnownValues::test_C2h_symorb /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/pbc/gto/cell.py:1315: UserWarning: Electron number 29 and spin 0 are not consistent in cell warnings.warn('Electron number %d and spin %d are not consistent ' pyscf/pbc/tools/test/test_k2gamma.py::KnownValues::test_double_translation_indices pyscf/pbc/tools/test/test_k2gamma.py::KnownValues::test_k2gamma /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/pbc/gto/cell.py:1315: UserWarning: Electron number 3 and spin 0 are not consistent in cell warnings.warn('Electron number %d and spin %d are not consistent ' pyscf/pbc/tools/test/test_pbc.py::KnownValues::test_coulG_ws /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/pbc/tools/pbc.py:294: UserWarning: cell.gs is deprecated. It is replaced by cell.mesh,the number of PWs (=2*gs+1) along each direction. warnings.warn('cell.gs is deprecated. It is replaced by cell.mesh,' pyscf/solvent/test/test_ddcosmo.py: 700 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/solvent/test/test_ddcosmo.py:303: DeprecationWarning: `scipy.special.sph_harm` is deprecated as of SciPy 1.15.0 and will be removed in SciPy 1.17.0. Please use `scipy.special.sph_harm_y` instead. ylm[l] = scipy.special.sph_harm(0, l, theta, varphi).real pyscf/solvent/test/test_ddcosmo.py: 2100 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/solvent/test/test_ddcosmo.py:305: DeprecationWarning: `scipy.special.sph_harm` is deprecated as of SciPy 1.15.0 and will be removed in SciPy 1.17.0. Please use `scipy.special.sph_harm_y` instead. f1 = scipy.special.sph_harm(-m, l, theta, varphi) pyscf/solvent/test/test_ddcosmo.py: 2100 warnings /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/solvent/test/test_ddcosmo.py:306: DeprecationWarning: `scipy.special.sph_harm` is deprecated as of SciPy 1.15.0 and will be removed in SciPy 1.17.0. Please use `scipy.special.sph_harm_y` instead. f2 = scipy.special.sph_harm( m, l, theta, varphi) -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html =========================== short test summary info ============================ FAILED pyscf/cc/test/test_rccsd_lambda.py::KnownValues::test_rdm_trace - Asse... = 1 failed, 2926 passed, 58 skipped, 251 deselected, 133249 warnings in 2169.41s (0:36:09) = There are 0 leftover temporary files error: Bad exit status from /var/tmp/rpm-tmp.oJ0mvE (%check) Bad exit status from /var/tmp/rpm-tmp.oJ0mvE (%check) RPM build errors: Finish: rpmbuild python-pyscf-2.11.0-1.fc44.src.rpm Finish: build phase for python-pyscf-2.11.0-1.fc44.src.rpm INFO: chroot_scan: 1 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-42-aarch64-1761121282.871077/root/var/log/dnf5.log INFO: chroot_scan: creating tarball /var/lib/copr-rpmbuild/results/chroot_scan.tar.gz /bin/tar: Removing leading `/' from member names ERROR: Exception(/var/lib/copr-rpmbuild/results/python-pyscf-2.11.0-1.fc44.src.rpm) Config(fedora-42-aarch64) 37 minutes 19 seconds INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results INFO: Cleaning up build root ('cleanup_on_failure=True') Start: clean chroot INFO: unmounting tmpfs. Finish: clean chroot ERROR: Command failed: # /usr/bin/systemd-nspawn -q -M 6ff3d505b3ee46e4820661610888ec3a -D /var/lib/mock/fedora-42-aarch64-1761121282.871077/root -a -u mockbuild --capability=cap_ipc_lock --suppress-sync=yes --capability=cap_ipc_lock --bind=/tmp/mock-resolv.dsyxd_1o:/etc/resolv.conf --bind=/dev/btrfs-control --bind=/dev/mapper/control --bind=/dev/fuse --bind=/dev/loop-control --bind=/dev/loop0 --bind=/dev/loop1 --bind=/dev/loop2 --bind=/dev/loop3 --bind=/dev/loop4 --bind=/dev/loop5 --bind=/dev/loop6 --bind=/dev/loop7 --bind=/dev/loop8 --bind=/dev/loop9 --bind=/dev/loop10 --bind=/dev/loop11 --console=pipe --setenv=TERM=vt100 --setenv=SHELL=/bin/bash --setenv=HOME=/builddir --setenv=HOSTNAME=mock --setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin '--setenv=PROMPT_COMMAND=printf "\033]0;\007"' '--setenv=PS1= \s-\v\$ ' --setenv=LANG=C.UTF-8 --resolv-conf=off bash --login -c '/usr/bin/rpmbuild -bb --target aarch64 --nodeps /builddir/build/originals/python-pyscf.spec' Copr build error: Build failed