Warning: Permanently added '2620:52:3:1:dead:beef:cafe:c10f' (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-41-x86_64 --chroot fedora-41-x86_64 Version: 1.6 PID: 2645 Logging PID: 2647 Task: {'allow_user_ssh': False, 'appstream': False, 'background': True, 'build_id': 9714965, 'buildroot_pkgs': [], 'chroot': 'fedora-41-x86_64', 'enable_net': False, 'fedora_review': False, 'git_hash': '62226e1e1575a0a9fb008dae82c4cd17c79f34d5', '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-41-x86_64/', 'id': 'copr_base', 'name': 'Copr repository', 'priority': None}, {'baseurl': 'http://kojipkgs.fedoraproject.org/repos/rawhide/latest/$basearch/', 'id': 'http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch', 'name': 'Additional repo http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch'}], 'sandbox': 'psimovec/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-41-x86_64', '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-h0uxon77/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-h0uxon77/python-pyscf', '--depth', '500', '--no-single-branch', '--recursive'] cwd: . rc: 0 stdout: stderr: Cloning into '/var/lib/copr-rpmbuild/workspace/workdir-h0uxon77/python-pyscf'... Running: git checkout 62226e1e1575a0a9fb008dae82c4cd17c79f34d5 -- cmd: ['git', 'checkout', '62226e1e1575a0a9fb008dae82c4cd17c79f34d5', '--'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-h0uxon77/python-pyscf rc: 0 stdout: stderr: Note: switching to '62226e1e1575a0a9fb008dae82c4cd17c79f34d5'. 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 62226e1 automatic import of python-pyscf Running: dist-git-client sources cmd: ['dist-git-client', 'sources'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-h0uxon77/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 14.7M 0 --:--:-- --:--:-- --:--:-- 14.7M 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-h0uxon77/python-pyscf/python-pyscf.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-h0uxon77/python-pyscf --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1761121290.339081 -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-h0uxon77/python-pyscf/python-pyscf.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-h0uxon77/python-pyscf --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1761121290.339081 -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-h0uxon77/python-pyscf/python-pyscf.spec) Config(fedora-41-x86_64) 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-41-x86_64-bootstrap-1761121290.339081/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:41 INFO: Pulling image: registry.fedoraproject.org/fedora:41 INFO: Tagging container image as mock-bootstrap-b67a2b64-8800-467e-915d-157bac344e2f INFO: Checking that 9cfab94acfcbc7dd97ad6555182acb9604ebad01b3e41c2095599c8935333704 image matches host's architecture INFO: Copy content of container 9cfab94acfcbc7dd97ad6555182acb9604ebad01b3e41c2095599c8935333704 to /var/lib/mock/fedora-41-x86_64-bootstrap-1761121290.339081/root INFO: mounting 9cfab94acfcbc7dd97ad6555182acb9604ebad01b3e41c2095599c8935333704 with podman image mount INFO: image 9cfab94acfcbc7dd97ad6555182acb9604ebad01b3e41c2095599c8935333704 as /var/lib/containers/storage/overlay/2be4b23ce04b535149be7cd35075823b3314e3d7b941c7df8e2dae79148f231b/merged INFO: umounting image 9cfab94acfcbc7dd97ad6555182acb9604ebad01b3e41c2095599c8935333704 (/var/lib/containers/storage/overlay/2be4b23ce04b535149be7cd35075823b3314e3d7b941c7df8e2dae79148f231b/merged) with podman image umount INFO: Removing image mock-bootstrap-b67a2b64-8800-467e-915d-157bac344e2f INFO: Package manager dnf5 detected and used (fallback) INFO: Not updating bootstrap chroot, bootstrap_image_ready=True Start(bootstrap): creating root cache Finish(bootstrap): creating root cache Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-41-x86_64-1761121290.339081/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.fc41.x86_64 rpm-sequoia-1.7.0-5.fc41.x86_64 dnf5-5.2.16.0-1.fc41.x86_64 dnf5-plugins-5.2.16.0-1.fc41.x86_64 Start: installing minimal buildroot with dnf5 Updating and loading repositories: Copr repository 100% | 1.1 MiB/s | 287.3 KiB | 00m00s Additional repo http_kojipkgs_fedorapr 100% | 22.4 MiB/s | 14.4 MiB | 00m01s fedora 100% | 9.2 MiB/s | 35.4 MiB | 00m04s updates 100% | 3.2 MiB/s | 14.5 MiB | 00m05s Repositories loaded. 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libssh-config noarch 0.11.3-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 277.0 B libstdc++ x86_64 15.2.1-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.8 MiB libtasn1 x86_64 4.20.0-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 176.3 KiB libtool-ltdl x86_64 2.5.4-7.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 70.1 KiB libunistring x86_64 1.1-10.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.7 MiB libusb1 x86_64 1.0.29-4.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 171.3 KiB libuuid x86_64 2.41.1-17.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 37.4 KiB libverto x86_64 0.3.2-11.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 25.4 KiB libxcrypt x86_64 4.4.38-9.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 284.4 KiB libxml2 x86_64 2.12.10-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.7 MiB libzstd x86_64 1.5.7-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 940.3 KiB linkdupes x86_64 0.7.2-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 838.7 KiB lua-libs x86_64 5.4.8-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 280.8 KiB lua-srpm-macros noarch 1-16.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.3 KiB lz4-libs x86_64 1.10.0-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 161.4 KiB mpfr x86_64 4.2.2-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 832.8 KiB ncurses-base noarch 6.5-7.20250614.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 328.1 KiB ncurses-libs x86_64 6.5-7.20250614.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 946.3 KiB nettle x86_64 3.10.1-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 790.6 KiB npth x86_64 1.8-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 49.6 KiB ocaml-srpm-macros noarch 11-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 KiB openblas-srpm-macros noarch 2-20.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 112.0 B openldap x86_64 2.6.10-4.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 659.8 KiB openssl-libs x86_64 1:3.5.4-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.9 MiB p11-kit x86_64 0.25.8-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.3 MiB p11-kit-trust x86_64 0.25.8-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 446.5 KiB package-notes-srpm-macros noarch 0.5-14.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.6 KiB pam-libs x86_64 1.7.1-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 126.8 KiB pcre2 x86_64 10.46-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 697.7 KiB pcre2-syntax noarch 10.46-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 275.3 KiB perl-srpm-macros noarch 1-60.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 861.0 B pkgconf x86_64 2.3.0-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 88.5 KiB pkgconf-m4 noarch 2.3.0-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 14.4 KiB pkgconf-pkg-config x86_64 2.3.0-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 989.0 B policycoreutils x86_64 3.9-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 683.5 KiB popt x86_64 1.19-9.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 132.8 KiB publicsuffix-list-dafsa noarch 20250616-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 69.1 KiB pyproject-srpm-macros noarch 1.18.4-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 KiB python-srpm-macros noarch 3.14-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 51.6 KiB qt5-srpm-macros noarch 5.15.17-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 500.0 B qt6-srpm-macros noarch 6.10.0-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 464.0 B readline x86_64 8.3-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 511.7 KiB rpm x86_64 6.0.0-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.1 MiB rpm-build-libs x86_64 6.0.0-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 268.4 KiB rpm-libs x86_64 6.0.0-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 933.8 KiB rpm-plugin-selinux x86_64 6.0.0-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 12.0 KiB rpm-sequoia x86_64 1.9.0-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.5 MiB rpm-sign-libs x86_64 6.0.0-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 39.7 KiB rust-srpm-macros noarch 26.4-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 4.8 KiB selinux-policy noarch 42.13-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 31.9 KiB selinux-policy-targeted noarch 42.13-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 18.6 MiB setup noarch 2.15.0-26.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 725.0 KiB sqlite-libs x86_64 3.50.4-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.5 MiB systemd-libs x86_64 258.1-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.3 MiB systemd-standalone-sysusers x86_64 258.1-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 293.5 KiB tpm2-tss x86_64 4.1.3-8.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.6 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 x86_64 2.41.1-17.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.5 MiB xxhash-libs x86_64 0.8.3-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 90.2 KiB xz-libs x86_64 1:5.8.1-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 217.8 KiB zig-srpm-macros noarch 1-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.1 KiB zip x86_64 3.0-44.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 694.5 KiB zlib-ng-compat x86_64 2.2.5-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 137.6 KiB zstd x86_64 1.5.7-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 506.2 KiB Installing groups: Buildsystem building group Transaction Summary: Installing: 177 packages Total size of inbound packages is 66 MiB. Need to download 66 MiB. After this operation, 219 MiB extra will be used (install 219 MiB, remove 0 B). [ 1/177] coreutils-0:9.8-3.fc44.x86_64 100% | 4.0 MiB/s | 1.1 MiB | 00m00s [ 2/177] bash-0:5.3.0-2.fc43.x86_64 100% | 5.8 MiB/s | 1.8 MiB | 00m00s [ 3/177] cpio-0:2.15-6.fc43.x86_64 100% | 6.2 MiB/s | 286.6 KiB | 00m00s [ 4/177] diffutils-0:3.12-3.fc43.x86_6 100% | 9.1 MiB/s | 384.1 KiB | 00m00s [ 5/177] fedora-release-common-0:44-0. 100% | 588.2 KiB/s | 24.7 KiB | 00m00s [ 6/177] findutils-1:4.10.0-6.fc43.x86 100% | 9.4 MiB/s | 541.2 KiB | 00m00s [ 7/177] glibc-minimal-langpack-0:2.42 100% | 9.8 KiB/s | 50.2 KiB | 00m05s [ 8/177] bzip2-0:1.0.8-21.fc43.x86_64 100% | 5.0 KiB/s | 51.6 KiB | 00m10s [ 9/177] gawk-0:5.3.2-2.fc43.x86_64 100% | 112.2 KiB/s | 1.1 MiB | 00m10s [ 10/177] grep-0:3.12-2.fc43.x86_64 100% | 56.5 KiB/s | 289.1 KiB | 00m05s [ 11/177] patch-0:2.8-2.fc43.x86_64 100% | 2.8 MiB/s | 113.8 KiB | 00m00s [ 12/177] redhat-rpm-config-0:343-14.fc 100% | 1.8 MiB/s | 73.0 KiB | 00m00s [ 13/177] rpm-build-0:6.0.0-1.fc44.x86_ 100% | 3.3 MiB/s | 130.0 KiB | 00m00s [ 14/177] sed-0:4.9-5.fc43.x86_64 100% | 5.4 MiB/s | 308.6 KiB | 00m00s [ 15/177] shadow-utils-2:4.18.0-3.fc43. 100% | 15.5 MiB/s | 1.2 MiB | 00m00s [ 16/177] tar-2:1.35-6.fc43.x86_64 100% | 14.0 MiB/s | 847.8 KiB | 00m00s [ 17/177] unzip-0:6.0-68.fc44.x86_64 100% | 4.5 MiB/s | 184.6 KiB | 00m00s [ 18/177] util-linux-0:2.41.1-17.fc44.x 100% | 16.6 MiB/s | 1.1 MiB | 00m00s [ 19/177] which-0:2.23-3.fc43.x86_64 100% | 1.1 MiB/s | 41.7 KiB | 00m00s [ 20/177] xz-1:5.8.1-2.fc43.x86_64 100% | 12.6 MiB/s | 556.6 KiB | 00m00s [ 21/177] coreutils-common-0:9.8-3.fc44 100% | 21.8 MiB/s | 2.1 MiB | 00m00s [ 22/177] filesystem-0:3.18-50.fc43.x86 100% | 19.9 MiB/s | 1.3 MiB | 00m00s [ 23/177] glibc-0:2.42.9000-7.fc44.x86_ 100% | 27.2 MiB/s | 2.2 MiB | 00m00s [ 24/177] gzip-0:1.14-1.fc44.x86_64 100% | 33.5 KiB/s | 171.6 KiB | 00m05s [ 25/177] glibc-common-0:2.42.9000-7.fc 100% | 4.2 MiB/s | 332.2 KiB | 00m00s [ 26/177] filesystem-srpm-macros-0:3.18 100% | 587.0 KiB/s | 26.4 KiB | 00m00s [ 27/177] gap-srpm-macros-0:2-1.fc44.no 100% | 238.3 KiB/s | 9.1 KiB | 00m00s [ 28/177] java-srpm-macros-0:1-7.fc43.n 100% | 209.0 KiB/s | 7.9 KiB | 00m00s [ 29/177] info-0:7.2-6.fc43.x86_64 100% | 35.8 KiB/s | 182.9 KiB | 00m05s [ 30/177] rpm-0:6.0.0-1.fc44.x86_64 100% | 5.3 MiB/s | 545.6 KiB | 00m00s [ 31/177] libblkid-0:2.41.1-17.fc44.x86 100% | 2.5 MiB/s | 123.2 KiB | 00m00s [ 32/177] libfdisk-0:2.41.1-17.fc44.x86 100% | 3.0 MiB/s | 161.3 KiB | 00m00s [ 33/177] liblastlog2-0:2.41.1-17.fc44. 100% | 483.5 KiB/s | 23.2 KiB | 00m00s [ 34/177] libmount-0:2.41.1-17.fc44.x86 100% | 3.5 MiB/s | 162.6 KiB | 00m00s [ 35/177] libsmartcols-0:2.41.1-17.fc44 100% | 1.3 MiB/s | 84.0 KiB | 00m00s [ 36/177] libuuid-0:2.41.1-17.fc44.x86_ 100% | 611.4 KiB/s | 26.3 KiB | 00m00s [ 37/177] xz-libs-1:5.8.1-2.fc43.x86_64 100% | 2.8 MiB/s | 112.9 KiB | 00m00s [ 38/177] util-linux-core-0:2.41.1-17.f 100% | 8.9 MiB/s | 534.8 KiB | 00m00s [ 39/177] gnulib-l10n-0:20241231-1.fc44 100% | 3.3 MiB/s | 143.0 KiB | 00m00s [ 40/177] fedora-gpg-keys-0:44-0.1.noar 100% | 3.2 MiB/s | 127.7 KiB | 00m00s [ 41/177] fedora-repos-rawhide-0:44-0.1 100% | 210.9 KiB/s | 8.6 KiB | 00m00s [ 42/177] glibc-gconv-extra-0:2.42.9000 100% | 13.2 MiB/s | 1.6 MiB | 00m00s [ 43/177] rpm-libs-0:6.0.0-1.fc44.x86_6 100% | 8.7 MiB/s | 400.5 KiB | 00m00s [ 44/177] rpm-sequoia-0:1.9.0-2.fc43.x8 100% | 14.2 MiB/s | 933.3 KiB | 00m00s [ 45/177] rpm-build-libs-0:6.0.0-1.fc44 100% | 3.2 MiB/s | 127.9 KiB | 00m00s [ 46/177] rpm-sign-libs-0:6.0.0-1.fc44. 100% | 688.2 KiB/s | 28.2 KiB | 00m00s [ 47/177] libgcc-0:15.2.1-2.fc44.x86_64 100% | 3.3 MiB/s | 133.0 KiB | 00m00s [ 48/177] libselinux-0:3.9-5.fc44.x86_6 100% | 2.4 MiB/s | 97.8 KiB | 00m00s [ 49/177] libsepol-0:3.9-2.fc43.x86_64 100% | 8.0 MiB/s | 345.4 KiB | 00m00s [ 50/177] libxcrypt-0:4.4.38-9.fc44.x86 100% | 3.3 MiB/s | 127.1 KiB | 00m00s [ 51/177] ncurses-libs-0:6.5-7.20250614 100% | 7.9 MiB/s | 332.7 KiB | 00m00s [ 52/177] ncurses-base-0:6.5-7.20250614 100% | 1.5 MiB/s | 63.7 KiB | 00m00s [ 53/177] systemd-libs-0:258.1-2.fc44.x 100% | 13.4 MiB/s | 820.8 KiB | 00m00s [ 54/177] audit-libs-0:4.1.2-2.fc44.x86 100% | 3.1 MiB/s | 138.4 KiB | 00m00s [ 55/177] libcap-ng-0:0.8.5-8.fc44.x86_ 100% | 847.3 KiB/s | 32.2 KiB | 00m00s [ 56/177] pam-libs-0:1.7.1-3.fc43.x86_6 100% | 1.5 MiB/s | 57.5 KiB | 00m00s [ 57/177] libeconf-0:0.7.9-2.fc43.x86_6 100% | 880.3 KiB/s | 35.2 KiB | 00m00s [ 58/177] readline-0:8.3-2.fc43.x86_64 100% | 5.6 MiB/s | 224.6 KiB | 00m00s [ 59/177] zlib-ng-compat-0:2.2.5-2.fc44 100% | 1.8 MiB/s | 79.2 KiB | 00m00s [ 60/177] bzip2-libs-0:1.0.8-21.fc43.x8 100% | 1.1 MiB/s | 43.1 KiB | 00m00s [ 61/177] libacl-0:2.3.2-4.fc43.x86_64 100% | 622.5 KiB/s | 24.3 KiB | 00m00s [ 62/177] libcap-0:2.76-4.fc44.x86_64 100% | 2.1 MiB/s | 87.0 KiB | 00m00s [ 63/177] fedora-repos-0:44-0.1.noarch 100% | 1.8 KiB/s | 9.1 KiB | 00m05s [ 64/177] setup-0:2.15.0-26.fc43.noarch 100% | 3.5 MiB/s | 151.2 KiB | 00m00s [ 65/177] gpgverify-0:2.2-3.fc43.noarch 100% | 277.6 KiB/s | 11.1 KiB | 00m00s [ 66/177] gnupg2-0:2.4.8-4.fc43.x86_64 100% | 10.9 MiB/s | 1.6 MiB | 00m00s [ 67/177] gnupg2-gpg-agent-0:2.4.8-4.fc 100% | 6.3 MiB/s | 272.9 KiB | 00m00s [ 68/177] gnupg2-gpgconf-0:2.4.8-4.fc43 100% | 3.0 MiB/s | 115.0 KiB | 00m00s [ 69/177] gnupg2-keyboxd-0:2.4.8-4.fc43 100% | 2.4 MiB/s | 94.7 KiB | 00m00s [ 70/177] gnupg2-verify-0:2.4.8-4.fc43. 100% | 4.3 MiB/s | 171.2 KiB | 00m00s [ 71/177] ima-evm-utils-libs-0:1.6.2-6. 100% | 681.9 KiB/s | 29.3 KiB | 00m00s [ 72/177] libfsverity-0:1.6-3.fc43.x86_ 100% | 465.7 KiB/s | 18.6 KiB | 00m00s [ 73/177] libsemanage-0:3.9-4.fc44.x86_ 100% | 24.2 KiB/s | 123.5 KiB | 00m05s [ 74/177] popt-0:1.19-9.fc43.x86_64 100% | 1.5 MiB/s | 59.1 KiB | 00m00s [ 75/177] gnupg2-dirmngr-0:2.4.8-4.fc43 100% | 53.7 KiB/s | 274.6 KiB | 00m05s [ 76/177] libzstd-0:1.5.7-3.fc44.x86_64 100% | 5.8 MiB/s | 359.1 KiB | 00m00s [ 77/177] openssl-libs-1:3.5.4-1.fc44.x 100% | 17.3 MiB/s | 2.6 MiB | 00m00s [ 78/177] lua-libs-0:5.4.8-2.fc43.x86_6 100% | 2.9 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efi-srpm-macros-0:6-4.fc43.no 100% | 605.2 KiB/s | 22.4 KiB | 00m00s [105/177] fonts-srpm-macros-1:5.0.0-1.f 100% | 682.3 KiB/s | 27.3 KiB | 00m00s [106/177] forge-srpm-macros-0:0.4.0-3.f 100% | 528.7 KiB/s | 20.1 KiB | 00m00s [107/177] fpc-srpm-macros-0:1.3-15.fc43 100% | 197.3 KiB/s | 7.9 KiB | 00m00s [108/177] ghc-srpm-macros-0:1.9.2-3.fc4 100% | 198.8 KiB/s | 8.7 KiB | 00m00s [109/177] gnat-srpm-macros-0:6-8.fc43.n 100% | 192.9 KiB/s | 8.5 KiB | 00m00s [110/177] go-srpm-macros-0:3.8.0-1.fc44 100% | 629.1 KiB/s | 28.3 KiB | 00m00s [111/177] kernel-srpm-macros-0:1.0-27.f 100% | 174.9 KiB/s | 8.9 KiB | 00m00s [112/177] lua-srpm-macros-0:1-16.fc43.n 100% | 208.5 KiB/s | 8.8 KiB | 00m00s [113/177] ocaml-srpm-macros-0:11-2.fc43 100% | 225.9 KiB/s | 9.3 KiB | 00m00s [114/177] package-notes-srpm-macros-0:0 100% | 199.7 KiB/s | 9.0 KiB | 00m00s [115/177] openblas-srpm-macros-0:2-20.f 100% | 165.1 KiB/s | 7.6 KiB | 00m00s [116/177] perl-srpm-macros-0:1-60.fc43. 100% | 165.8 KiB/s | 8.3 KiB | 00m00s [117/177] python-srpm-macros-0:3.14-8.f 100% | 446.3 KiB/s | 23.7 KiB | 00m00s [118/177] pyproject-srpm-macros-0:1.18. 100% | 232.8 KiB/s | 13.7 KiB | 00m00s [119/177] qt5-srpm-macros-0:5.15.17-2.f 100% | 157.5 KiB/s | 8.7 KiB | 00m00s [120/177] qt6-srpm-macros-0:6.10.0-1.fc 100% | 176.6 KiB/s | 9.4 KiB | 00m00s [121/177] rust-srpm-macros-0:26.4-1.fc4 100% | 210.6 KiB/s | 11.2 KiB | 00m00s [122/177] tree-sitter-srpm-macros-0:0.4 100% | 325.6 KiB/s | 13.4 KiB | 00m00s [123/177] zip-0:3.0-44.fc43.x86_64 100% | 2.3 MiB/s | 261.6 KiB | 00m00s [124/177] libattr-0:2.5.2-6.fc43.x86_64 100% | 357.1 KiB/s | 17.9 KiB | 00m00s [125/177] ca-certificates-0:2025.2.80_v 100% | 14.2 MiB/s | 973.8 KiB | 00m00s [126/177] ed-0:1.22.2-1.fc44.x86_64 100% | 328.2 KiB/s | 83.7 KiB | 00m00s [127/177] crypto-policies-0:20250714-5. 100% | 1.7 MiB/s | 75.1 KiB | 00m00s [128/177] zig-srpm-macros-0:1-5.fc43.no 100% | 27.4 KiB/s | 8.4 KiB | 00m00s [129/177] pcre2-0:10.46-1.fc44.x86_64 100% | 1.4 MiB/s | 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322.8 KiB/s | 13.6 KiB | 00m00s [156/177] systemd-standalone-sysusers-0 100% | 3.5 MiB/s | 144.6 KiB | 00m00s [157/177] gdb-minimal-0:16.3-6.fc44.x86 100% | 16.8 MiB/s | 4.4 MiB | 00m00s [158/177] xxhash-libs-0:0.8.3-3.fc43.x8 100% | 1.0 MiB/s | 38.5 KiB | 00m00s [159/177] fedora-release-identity-basic 100% | 376.9 KiB/s | 14.3 KiB | 00m00s [160/177] libcurl-0:8.17.0~rc1-1.fc44.x 100% | 7.0 MiB/s | 409.7 KiB | 00m00s [161/177] libnghttp2-0:1.67.1-1.fc44.x8 100% | 1.9 MiB/s | 73.1 KiB | 00m00s [162/177] p11-kit-trust-0:0.25.8-1.fc44 100% | 27.4 KiB/s | 139.7 KiB | 00m05s [163/177] policycoreutils-0:3.9-5.fc44. 100% | 3.2 MiB/s | 190.6 KiB | 00m00s [164/177] libevent-0:2.1.12-16.fc43.x86 100% | 50.4 KiB/s | 257.8 KiB | 00m05s [165/177] selinux-policy-0:42.13-2.fc44 100% | 1.5 MiB/s | 62.1 KiB | 00m00s [166/177] libselinux-utils-0:3.9-5.fc44 100% | 2.8 MiB/s | 109.9 KiB | 00m00s [167/177] rpm-plugin-selinux-0:6.0.0-1. 100% | 453.3 KiB/s | 19.5 KiB | 00m00s [168/177] libbrotli-0:1.1.0-10.fc44.x86 100% | 5.8 MiB/s | 339.1 KiB | 00m00s [169/177] krb5-libs-0:1.21.3-10.fc44.x8 100% | 9.7 MiB/s | 757.0 KiB | 00m00s [170/177] libpsl-0:0.21.5-6.fc43.x86_64 100% | 1.5 MiB/s | 65.0 KiB | 00m00s [171/177] libssh-0:0.11.3-1.fc44.x86_64 100% | 5.2 MiB/s | 232.8 KiB | 00m00s [172/177] libssh-config-0:0.11.3-1.fc44 100% | 233.6 KiB/s | 9.1 KiB | 00m00s [173/177] keyutils-libs-0:1.6.3-6.fc43. 100% | 825.0 KiB/s | 31.4 KiB | 00m00s [174/177] libcom_err-0:1.47.3-2.fc43.x8 100% | 653.5 KiB/s | 26.8 KiB | 00m00s [175/177] libverto-0:0.3.2-11.fc43.x86_ 100% | 504.3 KiB/s | 20.7 KiB | 00m00s [176/177] publicsuffix-list-dafsa-0:202 100% | 1.4 MiB/s | 59.2 KiB | 00m00s [177/177] selinux-policy-targeted-0:42. 100% | 1.2 MiB/s | 6.6 MiB | 00m05s -------------------------------------------------------------------------------- [177/177] Total 100% | 2.2 MiB/s | 65.7 MiB | 00m30s Running transaction [ 1/179] Verify package files 100% | 618.0 B/s | 177.0 B | 00m00s [ 2/179] 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9.2 MiB/s | 9.4 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% | 16.1 MiB/s | 296.5 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% | 46.3 MiB/s | 189.5 KiB | 00m00s [176/179] Installing rpm-plugin-selinux 100% | 12.7 MiB/s | 13.0 KiB | 00m00s [177/179] Installing which-0:2.23-3.fc4 100% | 5.6 MiB/s | 85.7 KiB | 00m00s [178/179] Installing shadow-utils-2:4.1 100% | 81.0 MiB/s | 4.0 MiB | 00m00s [179/179] Installing info-0:7.2-6.fc43. 100% | 29.0 KiB/s | 354.3 KiB | 00m12s 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.x86_64 alternatives-1.33-2.fc43.x86_64 ansible-srpm-macros-1-18.1.fc43.noarch audit-libs-4.1.2-2.fc44.x86_64 bash-5.3.0-2.fc43.x86_64 binutils-2.45.50-5.fc44.x86_64 build-reproducibility-srpm-macros-0.7.2-2.fc44.noarch bzip2-1.0.8-21.fc43.x86_64 bzip2-libs-1.0.8-21.fc43.x86_64 ca-certificates-2025.2.80_v9.0.304-2.fc44.noarch coreutils-9.8-3.fc44.x86_64 coreutils-common-9.8-3.fc44.x86_64 cpio-2.15-6.fc43.x86_64 crypto-policies-20250714-5.gitcd6043a.fc44.noarch curl-8.17.0~rc1-1.fc44.x86_64 cyrus-sasl-lib-2.1.28-33.fc44.x86_64 debugedit-5.2-3.fc44.x86_64 diffutils-3.12-3.fc43.x86_64 dwz-0.16-2.fc43.x86_64 ed-1.22.2-1.fc44.x86_64 efi-srpm-macros-6-4.fc43.noarch elfutils-0.193-3.fc43.x86_64 elfutils-debuginfod-client-0.193-3.fc43.x86_64 elfutils-default-yama-scope-0.193-3.fc43.noarch elfutils-libelf-0.193-3.fc43.x86_64 elfutils-libs-0.193-3.fc43.x86_64 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.x86_64 file-libs-5.46-8.fc44.x86_64 filesystem-3.18-50.fc43.x86_64 filesystem-srpm-macros-3.18-50.fc43.noarch findutils-4.10.0-6.fc43.x86_64 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.x86_64 gdb-minimal-16.3-6.fc44.x86_64 gdbm-libs-1.23-10.fc43.x86_64 ghc-srpm-macros-1.9.2-3.fc43.noarch glibc-2.42.9000-7.fc44.x86_64 glibc-common-2.42.9000-7.fc44.x86_64 glibc-gconv-extra-2.42.9000-7.fc44.x86_64 glibc-minimal-langpack-2.42.9000-7.fc44.x86_64 gmp-6.3.0-4.fc44.x86_64 gnat-srpm-macros-6-8.fc43.noarch gnulib-l10n-20241231-1.fc44.noarch gnupg2-2.4.8-4.fc43.x86_64 gnupg2-dirmngr-2.4.8-4.fc43.x86_64 gnupg2-gpg-agent-2.4.8-4.fc43.x86_64 gnupg2-gpgconf-2.4.8-4.fc43.x86_64 gnupg2-keyboxd-2.4.8-4.fc43.x86_64 gnupg2-verify-2.4.8-4.fc43.x86_64 gnutls-3.8.10-5.fc44.x86_64 go-srpm-macros-3.8.0-1.fc44.noarch gpgverify-2.2-3.fc43.noarch grep-3.12-2.fc43.x86_64 gzip-1.14-1.fc44.x86_64 ima-evm-utils-libs-1.6.2-6.fc43.x86_64 info-7.2-6.fc43.x86_64 jansson-2.14-3.fc43.x86_64 java-srpm-macros-1-7.fc43.noarch json-c-0.18-7.fc43.x86_64 kernel-srpm-macros-1.0-27.fc43.noarch keyutils-libs-1.6.3-6.fc43.x86_64 krb5-libs-1.21.3-10.fc44.x86_64 libacl-2.3.2-4.fc43.x86_64 libarchive-3.8.2-1.fc44.x86_64 libassuan-2.5.7-4.fc43.x86_64 libattr-2.5.2-6.fc43.x86_64 libblkid-2.41.1-17.fc44.x86_64 libbrotli-1.1.0-10.fc44.x86_64 libcap-2.76-4.fc44.x86_64 libcap-ng-0.8.5-8.fc44.x86_64 libcom_err-1.47.3-2.fc43.x86_64 libcurl-8.17.0~rc1-1.fc44.x86_64 libeconf-0.7.9-2.fc43.x86_64 libevent-2.1.12-16.fc43.x86_64 libfdisk-2.41.1-17.fc44.x86_64 libffi-3.5.2-1.fc44.x86_64 libfsverity-1.6-3.fc43.x86_64 libgcc-15.2.1-2.fc44.x86_64 libgcrypt-1.11.1-2.fc43.x86_64 libgomp-15.2.1-2.fc44.x86_64 libgpg-error-1.56-1.fc44.x86_64 libidn2-2.3.8-2.fc43.x86_64 libksba-1.6.7-4.fc43.x86_64 liblastlog2-2.41.1-17.fc44.x86_64 libmount-2.41.1-17.fc44.x86_64 libnghttp2-1.67.1-1.fc44.x86_64 libpkgconf-2.3.0-3.fc43.x86_64 libpsl-0.21.5-6.fc43.x86_64 libselinux-3.9-5.fc44.x86_64 libselinux-utils-3.9-5.fc44.x86_64 libsemanage-3.9-4.fc44.x86_64 libsepol-3.9-2.fc43.x86_64 libsmartcols-2.41.1-17.fc44.x86_64 libssh-0.11.3-1.fc44.x86_64 libssh-config-0.11.3-1.fc44.noarch libstdc++-15.2.1-2.fc44.x86_64 libtasn1-4.20.0-2.fc43.x86_64 libtool-ltdl-2.5.4-7.fc43.x86_64 libunistring-1.1-10.fc43.x86_64 libusb1-1.0.29-4.fc44.x86_64 libuuid-2.41.1-17.fc44.x86_64 libverto-0.3.2-11.fc43.x86_64 libxcrypt-4.4.38-9.fc44.x86_64 libxml2-2.12.10-5.fc44.x86_64 libzstd-1.5.7-3.fc44.x86_64 linkdupes-0.7.2-2.fc44.x86_64 lua-libs-5.4.8-2.fc43.x86_64 lua-srpm-macros-1-16.fc43.noarch 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rpm-6.0.0-1.fc44.x86_64 rpm-build-6.0.0-1.fc44.x86_64 rpm-build-libs-6.0.0-1.fc44.x86_64 rpm-libs-6.0.0-1.fc44.x86_64 rpm-plugin-selinux-6.0.0-1.fc44.x86_64 rpm-sequoia-1.9.0-2.fc43.x86_64 rpm-sign-libs-6.0.0-1.fc44.x86_64 rust-srpm-macros-26.4-1.fc44.noarch sed-4.9-5.fc43.x86_64 selinux-policy-42.13-2.fc44.noarch selinux-policy-targeted-42.13-2.fc44.noarch setup-2.15.0-26.fc43.noarch shadow-utils-4.18.0-3.fc43.x86_64 sqlite-libs-3.50.4-1.fc44.x86_64 systemd-libs-258.1-2.fc44.x86_64 systemd-standalone-sysusers-258.1-2.fc44.x86_64 tar-1.35-6.fc43.x86_64 tpm2-tss-4.1.3-8.fc43.x86_64 tree-sitter-srpm-macros-0.4.2-1.fc43.noarch unzip-6.0-68.fc44.x86_64 util-linux-2.41.1-17.fc44.x86_64 util-linux-core-2.41.1-17.fc44.x86_64 which-2.23-3.fc43.x86_64 xxhash-libs-0.8.3-3.fc43.x86_64 xz-5.8.1-2.fc43.x86_64 xz-libs-5.8.1-2.fc43.x86_64 zig-srpm-macros-1-5.fc43.noarch zip-3.0-44.fc43.x86_64 zlib-ng-compat-2.2.5-2.fc44.x86_64 zstd-1.5.7-3.fc44.x86_64 Start: buildsrpm Start: rpmbuild -bs Building target platforms: x86_64 Building for target x86_64 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-41-x86_64-1761121290.339081/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-h0uxon77/python-pyscf/python-pyscf.spec) Config(child) 1 minutes 16 seconds INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results INFO: Cleaning up build root ('cleanup_on_success=True') Start: clean chroot INFO: unmounting tmpfs. Finish: clean chroot INFO: Start(/var/lib/copr-rpmbuild/results/python-pyscf-2.11.0-1.fc44.src.rpm) Config(fedora-41-x86_64) Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-41-x86_64-bootstrap-1761121290.339081/root. INFO: reusing tmpfs at /var/lib/mock/fedora-41-x86_64-bootstrap-1761121290.339081/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start(bootstrap): cleaning package manager metadata Finish(bootstrap): cleaning package manager metadata Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-41-x86_64-1761121290.339081/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.fc41.x86_64 rpm-sequoia-1.7.0-5.fc41.x86_64 dnf5-5.2.16.0-1.fc41.x86_64 dnf5-plugins-5.2.16.0-1.fc41.x86_64 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: x86_64 Building for target x86_64 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% | 39.1 KiB/s | 3.8 KiB | 00m00s Copr repository 100% | 15.6 KiB/s | 1.5 KiB | 00m00s fedora 100% | 211.9 KiB/s | 32.4 KiB | 00m00s updates 100% | 74.8 KiB/s | 9.3 KiB | 00m00s Repositories loaded. Package Arch Version Repository Size Installing: cmake x86_64 3.31.6-4.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 34.5 MiB flexiblas-devel x86_64 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 4.9 MiB gcc-c++ x86_64 15.2.1-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 41.4 MiB libxc-devel x86_64 7.0.0-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 136.5 KiB python3-devel x86_64 3.14.0-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 MiB python3-h5py x86_64 3.15.1-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 4.3 MiB python3-numpy x86_64 1:2.3.4-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 41.4 MiB python3-pytest-cov noarch 5.0.0-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 165.9 KiB python3-scipy x86_64 1.16.2-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 66.5 MiB python3-setuptools noarch 78.1.1-15.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.0 MiB qcint-devel x86_64 6.1.3-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 53.2 KiB xcfun-devel x86_64 2.1.1-20.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 117.6 KiB Installing dependencies: annobin-docs noarch 12.99-1.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 98.9 KiB annobin-plugin-gcc x86_64 12.99-1.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 MiB cmake-data noarch 3.31.6-4.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.5 MiB cmake-filesystem x86_64 3.31.6-4.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 0.0 B cmake-rpm-macros noarch 3.31.6-4.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 7.7 KiB cpp x86_64 15.2.1-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 37.9 MiB emacs-filesystem noarch 1:30.0-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 0.0 B expat x86_64 2.7.2-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 298.6 KiB flexiblas x86_64 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 50.4 KiB flexiblas-netlib x86_64 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 10.9 MiB flexiblas-netlib64 x86_64 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 11.0 MiB flexiblas-openblas-openmp x86_64 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 39.2 KiB flexiblas-openblas-openmp64 x86_64 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 39.2 KiB gcc x86_64 15.2.1-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 111.9 MiB gcc-plugin-annobin x86_64 15.2.1-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 57.1 KiB glibc-devel x86_64 2.42.9000-7.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.3 MiB hdf5 x86_64 1.14.6-6.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 6.4 MiB jsoncpp x86_64 1.9.6-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 257.6 KiB kernel-headers x86_64 6.18.0-0.rc2.23.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 6.8 MiB libaec x86_64 1.1.4-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 90.4 KiB libgfortran x86_64 15.2.1-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.4 MiB liblzf x86_64 3.6-33.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 49.5 KiB libmpc x86_64 1.3.1-8.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 160.6 KiB libquadmath x86_64 15.2.1-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 317.9 KiB libstdc++-devel x86_64 15.2.1-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 37.3 MiB libuv x86_64 1:1.51.0-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 570.2 KiB libxc x86_64 7.0.0-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 156.6 MiB libxcrypt-devel x86_64 4.4.38-9.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 30.8 KiB make x86_64 1:4.4.1-11.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.8 MiB mpdecimal x86_64 4.0.1-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 217.2 KiB openblas x86_64 0.3.29-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 111.7 KiB openblas-openmp x86_64 0.3.29-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 43.7 MiB openblas-openmp64 x86_64 0.3.29-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 43.8 MiB pyproject-rpm-macros noarch 1.18.4-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 114.9 KiB python-pip-wheel noarch 25.2-4.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.2 MiB python-rpm-macros noarch 3.14-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 27.6 KiB python3 x86_64 3.14.0-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 28.9 KiB python3-cached_property noarch 2.0.1-6.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 35.2 KiB python3-charset-normalizer noarch 3.4.4-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 356.2 KiB python3-coverage x86_64 7.11.0-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.0 MiB python3-coverage+toml x86_64 7.11.0-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 18.9 KiB python3-idna noarch 3.11-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 738.4 KiB python3-iniconfig noarch 2.1.0-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 42.4 KiB python3-libs x86_64 3.14.0-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 43.0 MiB python3-numpy-f2py x86_64 1:2.3.4-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.1 MiB python3-packaging noarch 25.0-7.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 607.4 KiB python3-platformdirs noarch 4.4.0-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 182.4 KiB python3-pluggy noarch 1.6.0-4.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 211.0 KiB python3-pooch noarch 1.8.2-9.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 635.2 KiB python3-pytest noarch 8.3.5-10.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 21.6 MiB python3-requests noarch 2.32.5-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 476.9 KiB python3-rpm-generators noarch 14-13.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 81.7 KiB python3-rpm-macros noarch 3.14-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 6.5 KiB python3-six noarch 1.17.0-7.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 118.0 KiB python3-urllib3 noarch 2.5.0-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.1 MiB qcint x86_64 6.1.3-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 30.7 MiB rhash x86_64 1.4.5-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 351.1 KiB tzdata noarch 2025b-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.6 MiB vim-filesystem noarch 2:9.1.1863-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 40.0 B xcfun x86_64 2.1.1-20.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.9 MiB Transaction Summary: Installing: 72 packages Total size of inbound packages is 237 MiB. Need to download 237 MiB. After this operation, 800 MiB extra will be used (install 800 MiB, remove 0 B). [ 1/72] flexiblas-devel-0:3.4.5-5.fc44. 100% | 555.1 KiB/s | 113.8 KiB | 00m00s [ 2/72] qcint-devel-0:6.1.3-1.fc44.x86_ 100% | 340.4 KiB/s | 14.6 KiB | 00m00s [ 3/72] libxc-devel-0:7.0.0-8.fc44.x86_ 100% | 1.1 MiB/s | 58.8 KiB | 00m00s [ 4/72] python3-devel-0:3.14.0-2.fc44.x 100% | 1.9 MiB/s | 386.7 KiB | 00m00s [ 5/72] python3-h5py-0:3.15.1-2.fc44.x8 100% | 2.4 MiB/s | 1.1 MiB | 00m00s [ 6/72] cmake-0:3.31.6-4.fc43.x86_64 100% | 4.5 MiB/s | 12.2 MiB | 00m03s [ 7/72] python3-pytest-cov-0:5.0.0-5.fc 100% | 1.2 MiB/s | 49.2 KiB | 00m00s [ 8/72] python3-numpy-1:2.3.4-1.fc44.x8 100% | 4.2 MiB/s | 8.0 MiB | 00m02s [ 9/72] python3-setuptools-0:78.1.1-15. 100% | 5.8 MiB/s | 1.9 MiB | 00m00s [10/72] xcfun-devel-0:2.1.1-20.fc44.x86 100% | 949.1 KiB/s | 37.0 KiB | 00m00s [11/72] cmake-data-0:3.31.6-4.fc43.noar 100% | 6.1 MiB/s | 1.9 MiB | 00m00s [12/72] cmake-filesystem-0:3.31.6-4.fc4 100% | 397.2 KiB/s | 15.5 KiB | 00m00s [13/72] gcc-c++-0:15.2.1-2.fc44.x86_64 100% | 4.2 MiB/s | 15.3 MiB | 00m04s [14/72] jsoncpp-0:1.9.6-2.fc43.x86_64 100% | 2.2 MiB/s | 101.1 KiB | 00m00s [15/72] flexiblas-0:3.4.5-5.fc44.x86_64 100% | 686.2 KiB/s | 26.1 KiB | 00m00s [16/72] flexiblas-netlib64-0:3.4.5-5.fc 100% | 7.9 MiB/s | 3.2 MiB | 00m00s [17/72] flexiblas-netlib-0:3.4.5-5.fc44 100% | 7.1 MiB/s | 3.4 MiB | 00m00s [18/72] python3-scipy-0:1.16.2-1.fc44.x 100% | 9.2 MiB/s | 16.0 MiB | 00m02s [19/72] libstdc++-devel-0:15.2.1-2.fc44 100% | 8.2 MiB/s | 5.2 MiB | 00m01s [20/72] qcint-0:6.1.3-1.fc44.x86_64 100% | 11.0 MiB/s | 27.1 MiB | 00m02s [21/72] python3-0:3.14.0-2.fc44.x86_64 100% | 589.1 KiB/s | 27.7 KiB | 00m00s [22/72] python3-libs-0:3.14.0-2.fc44.x8 100% | 8.3 MiB/s | 9.5 MiB | 00m01s [23/72] hdf5-0:1.14.6-6.fc43.x86_64 100% | 4.7 MiB/s | 2.0 MiB | 00m00s [24/72] python3-numpy-f2py-1:2.3.4-1.fc 100% | 3.4 MiB/s | 464.8 KiB | 00m00s [25/72] python3-coverage+toml-0:7.11.0- 100% | 164.9 KiB/s | 9.2 KiB | 00m00s [26/72] python3-coverage-0:7.11.0-3.fc4 100% | 3.0 MiB/s | 416.5 KiB | 00m00s 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00m00s [40/72] python3-requests-0:2.32.5-2.fc4 100% | 29.5 KiB/s | 150.2 KiB | 00m05s [41/72] python3-charset-normalizer-0:3. 100% | 1.9 MiB/s | 109.6 KiB | 00m00s [42/72] cpp-0:15.2.1-2.fc44.x86_64 100% | 2.3 MiB/s | 12.9 MiB | 00m06s [43/72] python3-idna-0:3.11-1.fc44.noar 100% | 1.3 MiB/s | 119.3 KiB | 00m00s [44/72] python3-urllib3-0:2.5.0-3.fc44. 100% | 3.6 MiB/s | 278.6 KiB | 00m00s [45/72] expat-0:2.7.2-1.fc44.x86_64 100% | 2.1 MiB/s | 119.0 KiB | 00m00s [46/72] python-pip-wheel-0:25.2-4.fc44. 100% | 5.7 MiB/s | 1.1 MiB | 00m00s [47/72] tzdata-0:2025b-3.fc43.noarch 100% | 4.6 MiB/s | 429.3 KiB | 00m00s [48/72] liblzf-0:3.6-33.fc43.x86_64 100% | 731.1 KiB/s | 27.8 KiB | 00m00s [49/72] libgfortran-0:15.2.1-2.fc44.x86 100% | 2.3 MiB/s | 970.9 KiB | 00m00s [50/72] libaec-0:1.1.4-3.fc44.x86_64 100% | 940.0 KiB/s | 37.6 KiB | 00m00s [51/72] libmpc-0:1.3.1-8.fc43.x86_64 100% | 1.8 MiB/s | 70.4 KiB | 00m00s [52/72] make-1:4.4.1-11.fc43.x86_64 100% | 5.1 MiB/s | 578.1 KiB | 00m00s 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| 8.1 MiB/s | 8.3 KiB | 00m00s [44/74] Installing python3-urllib3-0:2. 100% | 111.1 MiB/s | 1.1 MiB | 00m00s [45/74] Installing python3-rpm-generato 100% | 40.5 MiB/s | 82.9 KiB | 00m00s [46/74] Installing python3-setuptools-0 100% | 126.3 MiB/s | 9.2 MiB | 00m00s [47/74] Installing python3-coverage-0:7 100% | 70.5 MiB/s | 2.0 MiB | 00m00s [48/74] Installing python3-coverage+tom 100% | 0.0 B/s | 124.0 B | 00m00s [49/74] Installing python3-iniconfig-0: 100% | 22.7 MiB/s | 46.5 KiB | 00m00s [50/74] Installing python3-pluggy-0:1.6 100% | 53.1 MiB/s | 217.5 KiB | 00m00s [51/74] Installing python3-pytest-0:8.3 100% | 222.4 MiB/s | 21.8 MiB | 00m00s [52/74] Installing python3-six-0:1.17.0 100% | 117.5 MiB/s | 120.3 KiB | 00m00s [53/74] Installing python3-cached_prope 100% | 18.6 MiB/s | 38.2 KiB | 00m00s [54/74] Installing python3-platformdirs 100% | 61.5 MiB/s | 188.8 KiB | 00m00s [55/74] Installing python3-charset-norm 100% | 21.0 MiB/s | 366.4 KiB | 00m00s [56/74] Installing 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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: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1761091200 Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.dVpup2 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.arv2pZ + 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 . Patch #1 (pyscf-2.6.0-rpath.patch): + echo '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.2qM0wJ + 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-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 - Success -- 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 (1.8s) -- 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 -j2 --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 -j2 /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=" 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]: 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' [ 0%] Building C object np_helper/CMakeFiles/np_helper.dir/transpose.c.o [ 1%] 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/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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 2%] Building C object np_helper/CMakeFiles/np_helper.dir/pack_tril.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 3%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libxc_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/xc_itrf.dir/link.txt --verbose=1 [ 4%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 5%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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/x86_64-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' [ 5%] Built target xc_itrf /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 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' [ 6%] Building C object dft/CMakeFiles/xcfun_itrf.dir/xcfun_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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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%] 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 [ 9%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT np_helper/CMakeFiles/np_helper.dir/np_helper.c.o -MF CMakeFiles/np_helper.dir/np_helper.c.o.d -o CMakeFiles/np_helper.dir/np_helper.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper/np_helper.c [ 10%] Building C object np_helper/CMakeFiles/np_helper.dir/imatcopy.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT np_helper/CMakeFiles/np_helper.dir/imatcopy.c.o -MF CMakeFiles/np_helper.dir/imatcopy.c.o.d -o CMakeFiles/np_helper.dir/imatcopy.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/np_helper/imatcopy.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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/x86_64-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' [ 10%] Built target xcfun_itrf [ 11%] Building C object np_helper/CMakeFiles/np_helper.dir/np_broadcast.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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/x86_64-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 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' 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=" 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]: 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 mcscf/CMakeFiles/fci.dir/build.make mcscf/CMakeFiles/fci.dir/build /usr/bin/gmake -f gto/CMakeFiles/cgto.dir/build.make gto/CMakeFiles/cgto.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' [ 14%] Building C object gto/CMakeFiles/cgto.dir/fill_int2c.c.o [ 14%] Building C object mcscf/CMakeFiles/fci.dir/fci_contract.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 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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 [ 15%] 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/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 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-Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 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 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-specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 23%] Linking C shared library /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 [ 24%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 25%] Building C object gto/CMakeFiles/cgto.dir/ft_ao.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/ft_ao.c.o -MF CMakeFiles/cgto.dir/ft_ao.c.o.d -o CMakeFiles/cgto.dir/ft_ao.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/ft_ao.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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/x86_64-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' [ 25%] Built target fci /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/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' /usr/bin/gmake -f mp/CMakeFiles/mp.dir/build.make mp/CMakeFiles/mp.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 26%] Building C object mp/CMakeFiles/mp.dir/mp2.c.o 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 /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; | ^ [ 27%] 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 /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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/mp.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,libmp.so -o /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/x86_64-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' [ 27%] Built target mp [ 28%] Building C object gto/CMakeFiles/cgto.dir/ft_ao_deriv.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/ft_ao_deriv.c.o -MF CMakeFiles/cgto.dir/ft_ao_deriv.c.o.d -o CMakeFiles/cgto.dir/ft_ao_deriv.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/ft_ao_deriv.c [ 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 -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/fill_grids_int2c.c.o -MF CMakeFiles/cgto.dir/fill_grids_int2c.c.o.d -o CMakeFiles/cgto.dir/fill_grids_int2c.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/fill_grids_int2c.c [ 30%] Building C object gto/CMakeFiles/cgto.dir/grid_ao_drv.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/grid_ao_drv.c.o -MF CMakeFiles/cgto.dir/grid_ao_drv.c.o.d -o CMakeFiles/cgto.dir/grid_ao_drv.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.c [ 31%] Building C object 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/deriv1.c.o -MF CMakeFiles/cgto.dir/deriv1.c.o.d -o CMakeFiles/cgto.dir/deriv1.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/deriv1.c In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.c:24: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:30:9: warning: ‘SIMDD’ redefined 30 | #define SIMDD 8 | ^~~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:23: /usr/include/cint.h:153:9: note: this is the location of the previous definition 153 | #define SIMDD QCINT_SIMDD | ^~~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/deriv1.c:23: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:30:9: warning: ‘SIMDD’ redefined 30 | #define SIMDD 8 | ^~~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:23: /usr/include/cint.h:153:9: note: this is the location of the previous definition 153 | #define SIMDD QCINT_SIMDD | ^~~~~ [ 32%] Building C object gto/CMakeFiles/cgto.dir/deriv2.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/deriv2.c:23: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:30:9: warning: ‘SIMDD’ redefined 30 | #define SIMDD 8 | ^~~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:23: /usr/include/cint.h:153:9: note: this is the location of the previous definition 153 | #define SIMDD QCINT_SIMDD | ^~~~~ [ 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 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT gto/CMakeFiles/cgto.dir/nr_ecp.c.o -MF CMakeFiles/cgto.dir/nr_ecp.c.o.d -o CMakeFiles/cgto.dir/nr_ecp.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/nr_ecp.c [ 34%] Building C object gto/CMakeFiles/cgto.dir/nr_ecp_deriv.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 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[ 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables 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/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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 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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 [ 39%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 /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/optimizer.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 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 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT vhf/CMakeFiles/cvhf.dir/time_rev.c.o -MF CMakeFiles/cvhf.dir/time_rev.c.o.d -o CMakeFiles/cvhf.dir/time_rev.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/vhf/time_rev.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); | ^~~~~~ [ 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 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-specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -Wl,--dependency-file=CMakeFiles/cvhf.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,libcvhf.so -o /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcvhf.so CMakeFiles/cvhf.dir/fill_nr_s8.c.o CMakeFiles/cvhf.dir/nr_incore.c.o CMakeFiles/cvhf.dir/nr_direct.c.o CMakeFiles/cvhf.dir/optimizer.c.o CMakeFiles/cvhf.dir/nr_direct_dot.c.o CMakeFiles/cvhf.dir/time_rev.c.o CMakeFiles/cvhf.dir/r_direct_o1.c.o CMakeFiles/cvhf.dir/rkb_screen.c.o CMakeFiles/cvhf.dir/r_direct_dot.c.o CMakeFiles/cvhf.dir/rah_direct_dot.c.o CMakeFiles/cvhf.dir/rha_direct_dot.c.o 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/x86_64-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 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/ao2mo /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/ao2mo /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ao2mo/CMakeFiles/ao2mo.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/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]: Leaving directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' /usr/bin/gmake -f ao2mo/CMakeFiles/ao2mo.dir/build.make ao2mo/CMakeFiles/ao2mo.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 pbc/CMakeFiles/pbc.dir/build.make pbc/CMakeFiles/pbc.dir/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 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 52%] 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/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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 53%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 54%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 57%] Building C object pbc/CMakeFiles/pbc.dir/fill_ints_sr.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/fill_ints_sr.c.o -MF CMakeFiles/pbc.dir/fill_ints_sr.c.o.d -o CMakeFiles/pbc.dir/fill_ints_sr.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/fill_ints_sr.c [ 58%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 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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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/optimizer.c [ 61%] Building C object pbc/CMakeFiles/pbc.dir/grid_ao.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/grid_ao.c:26: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:30:9: warning: ‘SIMDD’ redefined 30 | #define SIMDD 8 | ^~~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:23: /usr/include/cint.h:153:9: note: this is the location of the previous definition 153 | #define SIMDD QCINT_SIMDD | ^~~~~ /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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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/x86_64-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' [ 61%] Built target ao2mo /usr/bin/gmake -f agf2/CMakeFiles/agf2.dir/build.make agf2/CMakeFiles/agf2.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/agf2 /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/agf2 /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/agf2/CMakeFiles/agf2.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 agf2/CMakeFiles/agf2.dir/build.make agf2/CMakeFiles/agf2.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 61%] Building C object agf2/CMakeFiles/agf2.dir/ragf2.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 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT agf2/CMakeFiles/agf2.dir/ragf2.c.o -MF CMakeFiles/agf2.dir/ragf2.c.o.d -o CMakeFiles/agf2.dir/ragf2.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/agf2/ragf2.c [ 62%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 63%] 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/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/uagf2.c [ 64%] 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 /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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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/x86_64-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' [ 64%] Built target agf2 /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 /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/mcscf.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 mcscf/CMakeFiles/mcscf.dir/build.make mcscf/CMakeFiles/mcscf.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 65%] Building C object mcscf/CMakeFiles/mcscf.dir/nevpt_contract.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 -Dmcscf_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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT mcscf/CMakeFiles/mcscf.dir/nevpt_contract.c.o -MF CMakeFiles/mcscf.dir/nevpt_contract.c.o.d -o CMakeFiles/mcscf.dir/nevpt_contract.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/mcscf/nevpt_contract.c [ 66%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libmcscf.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/mcscf.dir/link.txt --verbose=1 [ 67%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 /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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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/x86_64-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' [ 67%] Built target mcscf /usr/bin/gmake -f 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 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-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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT cc/CMakeFiles/cc.dir/ccsd_pack.c.o -MF CMakeFiles/cc.dir/ccsd_pack.c.o.d -o CMakeFiles/cc.dir/ccsd_pack.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/cc/ccsd_pack.c [ 69%] 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 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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 [ 70%] Building C object cc/CMakeFiles/cc.dir/ccsd_grad.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT cc/CMakeFiles/cc.dir/ccsd_grad.c.o -MF CMakeFiles/cc.dir/ccsd_grad.c.o.d -o CMakeFiles/cc.dir/ccsd_grad.c.o -c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/cc/ccsd_grad.c [ 71%] Building C object cc/CMakeFiles/cc.dir/ccsd_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 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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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 74%] 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 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75%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 76%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 77%] 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 [ 78%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 79%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 80%] 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 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/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/cell.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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/x86_64-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' [ 80%] Built target cc [ 81%] 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 82%] 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 && /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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -O2 -g -DNDEBUG -std=gnu99 -fPIC -fopenmp -MD -MT pbc/CMakeFiles/pbc.dir/hf_grad.c.o -MF 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 [ 83%] 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 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-c /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pbc/fill_ints_screened.c /usr/bin/gmake -f ri/CMakeFiles/ri.dir/build.make ri/CMakeFiles/ri.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/ri /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/ri /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ri/CMakeFiles/ri.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 ri/CMakeFiles/ri.dir/build.make ri/CMakeFiles/ri.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build' [ 84%] Building C object ri/CMakeFiles/ri.dir/r_df_incore.c.o cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ri && /usr/bin/gcc -Dri_EXPORTS -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ri -I/builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/ri -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 85%] Linking C shared library /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libri.so cd /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/redhat-linux-build/ri && /usr/bin/cmake -E cmake_link_script CMakeFiles/ri.dir/link.txt --verbose=1 /usr/bin/gcc -fPIC -Wall -O2 -flto=auto -ffat-lto-objects 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-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/x86_64-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' [ 85%] Built target ri [ 86%] 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 /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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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/x86_64-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' [ 87%] Building C object dft/CMakeFiles/dft.dir/CxLebedevGrid.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 88%] Building C object dft/CMakeFiles/dft.dir/grid_basis.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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/grid_basis.c:23: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:30:9: warning: ‘SIMDD’ redefined 30 | #define SIMDD 8 | ^~~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:23: /usr/include/cint.h:153:9: note: this is the location of the previous definition 153 | #define SIMDD QCINT_SIMDD | ^~~~~ [ 89%] Building C object dft/CMakeFiles/dft.dir/nr_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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/nr_numint.c:24: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:30:9: warning: ‘SIMDD’ redefined 30 | #define SIMDD 8 | ^~~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:23: /usr/include/cint.h:153:9: note: this is the location of the previous definition 153 | #define SIMDD QCINT_SIMDD | ^~~~~ [ 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/r_numint.c:24: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:30:9: warning: ‘SIMDD’ redefined 30 | #define SIMDD 8 | ^~~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:23: /usr/include/cint.h:153:9: note: this is the location of the previous definition 153 | #define SIMDD QCINT_SIMDD | ^~~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/dft/numint_uniform_grid.c:31: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:30:9: warning: ‘SIMDD’ redefined 30 | #define SIMDD 8 | ^~~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:23: /usr/include/cint.h:153:9: note: this is the location of the previous definition 153 | #define SIMDD QCINT_SIMDD | ^~~~~ [ 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 [ 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 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)); | ~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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/x86_64-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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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 In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/pdft/nr_numint.c:33: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:30:9: warning: ‘SIMDD’ redefined 30 | #define SIMDD 8 | ^~~~~ In file included from /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/gto/grid_ao_drv.h:23: /usr/include/cint.h:153:9: note: this is the location of the previous definition 153 | #define SIMDD QCINT_SIMDD | ^~~~~ [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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -msse3 -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/x86_64-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.YReTCe + 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-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/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/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/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/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/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/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/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/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/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/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/libxcfun_itrf.so /builddir/build/BUILD/python-pyscf-2.11.0-build/BUILDROOT/usr/lib64/python3.14/site-packages/pyscf/lib/libxcfun_itrf.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 + /usr/bin/find-debuginfo -j2 --strict-build-id -m -i --build-id-seed 2.11.0-1.fc44 --unique-debug-suffix -2.11.0-1.fc44.x86_64 --unique-debug-src-base python-pyscf-2.11.0-1.fc44.x86_64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 110000000 -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.x86_64 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 -j2 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 -j2 /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__/__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/__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/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__/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_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_amplitudes.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_x2c_hess.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_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 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 246 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.AkrTAJ + 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 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-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 = -0.1452423236497699 CCSD(T) correction = -0.000995245367040064 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) = 1.48687e-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 0.124027619079224 >= 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 (84.68956216244919-13.187223077677032j) 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 (-13810365.375298003-210343463.537715j) .... 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 0.12399495943725 >= system LUMO -0.474582388935662 output file: /dev/null ..converged SCF energy = -149.627307387256 = 2.0331856 2S+1 = 3.0220427 E(GCCSD) = -149.9760061338172 E_corr = -0.3486987465609863 ....E(GCCSD) = 31.84843556687876 E_corr = -1.485966850067685 .Overwritten attributes get_hcore of converged SCF energy = -99.467440724057 = 0.052833979 2S+1 = 1.1006071 E(GCCSD) = -99.60213879951 E_corr = -0.1346980754529656 .output file: /dev/null .WARN: system HOMO 0.123994959437251 >= system LUMO -0.474582388935663 output file: /dev/null .... pyscf/cc/test/test_gccsd_lambda.py converged SCF energy = -75.9747238131997 E(CCSD) = -76.11920382540403 E_corr = -0.1444800122043583 converged SCF energy = -75.7241380234558 = 2.0016216 2S+1 = 3.0010808 E(UCCSD) = -75.8345718392812 E_corr = -0.1104338158253584 .converged SCF energy = -75.7263969090356 = 2.0038016 2S+1 = 3.0025333 . pyscf/cc/test/test_gccsd_t.py WARN: system HOMO 0.155211550335928 >= system LUMO -0.461751483408133 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 0.123994959437249 >= system LUMO -0.474582388935664 output file: /dev/null output file: /dev/null ....................WARN: system HOMO 0.124027619079224 >= 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 0.155211550335932 >= system LUMO -0.461751483408134 output file: /dev/null . WARN: Non-zero imaginary part of UCCSD(T) energy was found (-0.05609241571833843-0.010096801094372377j) UCCSD(T) correction = -0.0560924157183384 .converged SCF energy = -75.9495029242517 E(CCSD) = -76.10205527224473 E_corr = -0.1525523479930574 E(UCCSD) = -76.10205527151867 E_corr = -0.1525523472669844 UCCSD(T) correction = -0.00116168783837379 . pyscf/ci/test/test_cisd.py .....converged SCF energy = -75.9839484981054 converged SCF energy = -75.9839484981056 E(RCISD_Scanner) = -76.11407702150423 E_corr = -0.1301285233985912 .....output file: /dev/null ...converged SCF energy = -75.9839484981053 E(RCISD_Scanner) = -76.1140770216016 E_corr = -0.1301285234962517 converged SCF energy = -75.9797437122864 E(RCISD_Scanner) = -76.10463428933173 E_corr = -0.1248905770453623 ...converged SCF energy = -74.9630631297276 RCISD root 0 E = -74.97957319008326 RCISD root 1 E = -74.4223097377598 RCISD root 0 E = -74.99171437606927 RCISD root 1 E = -74.52184774467388 RCISD root 0 E = -74.97957052564576 RCISD root 1 E = -74.51172556789619 RCISD root 0 E = -74.96774861270049 RCISD root 1 E = -74.40678479500477 .. pyscf/ci/test/test_gcisd.py ........output file: /dev/null ..output file: /dev/null .WARN: system HOMO 0.123994959437251 >= system LUMO -0.474582388935663 output file: /dev/null ..converged SCF energy = -74.9630631297276 GCISD root 0 E = -74.98930350089032 GCISD root 1 E = -74.58506475379204 GCISD root 2 E = -74.54980774039203 GCISD root 0 E = -74.98579707120018 GCISD root 1 E = -74.58506475379203 GCISD root 2 E = -74.54980481455472 . 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 0.426381156259216 >= system LUMO -0.393077639330977 output file: /dev/null .converged SCF energy = -74.9630631297288 = 1.6253665e-12 2S+1 = 1 UCISD root 0 E = -74.97145934633072 UCISD root 1 E = -74.54243831698479 UCISD root 0 E = -74.98256256756447 UCISD root 1 E = -74.54979573092953 UCISD root 0 E = -74.96562499175656 UCISD root 1 E = -74.52709834846857 UCISD root 0 E = -74.96775221800989 UCISD root 1 E = -74.45880145449351 .converged SCF energy = -75.9832108869505 WARN: DF-UCISD for DFHF method is not available. Normal UCISD method is called. E(UCISD) = -76.11313743099851 E_corr = -0.1299265440480326 .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) = -75.83072989907382 E_corr = -0.1051213244134434 . 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/tmppkc7f3_2 . .....F pyscf/df/test/test_df_grad.py .........converged SCF energy = -75.3510315748547 = 0.75157967 2S+1 = 2.001579 converged SCF energy = -75.3510128482145 = 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 = -76.2660138488191 converged SCF energy = -76.2604853864526 converged SCF energy = -76.2549588251521 converged SCF energy = -76.2475930402608 converged SCF energy = -76.2420709289556 converged SCF energy = -76.2365507308819 Uresp = 5.892604, chi0 = -0.087351, chif = -0.057668 .converged SCF energy = -76.2512755088972 = 1.1377566e-12 2S+1 = 1 converged SCF energy = -76.2660138488191 = -5.3290705e-15 2S+1 = 1 converged SCF energy = -76.2604853864528 = 1.7763568e-15 2S+1 = 1 converged SCF energy = -76.254958825152 = -1.7763568e-15 2S+1 = 1 converged SCF energy = -76.2475930402608 = 0 2S+1 = 1 converged SCF energy = -76.2420709289556 = -1.7763568e-15 2S+1 = 1 converged SCF energy = -76.2365507308819 = -3.5527137e-15 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 -0.426962052077927 > system LUMO -0.426962052077927 ..WARN: alpha-B1 HOMO -0.402195769494033 > system LUMO -0.402195769494033 ..WARN: alpha-B1 HOMO -0.426962052077928 > system LUMO -0.426962052077928 .WARN: system HOMO -0.429615333437155 >= system LUMO -0.429615333437155 ..WARN: alpha-B1 HOMO -0.402195769494033 > system LUMO -0.402195769494033 ........ 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 = -5.44934589231448 icycle 1 ci.shape (20, 20) E = -5.72512544614136 . 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) = -5.41670929735658 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 = -0.2514232141542889 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) = -109.0670408144828 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 0.123994959437249 >= system LUMO 0.123994959437249 .WARN: Singularity detected in overlap matrix (condition number = 2.02e+06). SCF may be inaccurate and hard to converge. ......WARN: system HOMO 0.0219877438540612 >= system LUMO 0.0219877438540612 .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 = -0.274240747956734 E(SCS-RMP2) = -109.098212333674 E_corr = -0.262438123744906 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 = -99.7487247853423 --------------- RKS gradients --------------- x y z 0 H 0.0000000000 0.0000000000 -0.0026893523 1 F -0.0000000000 0.0000000000 0.0026933209 ---------------------------------------------- converged SCF energy = -99.7487249060316 --------------- RKS gradients --------------- x y z 0 H -0.0000000000 0.0000000000 -0.0026893156 1 F 0.0000000000 -0.0000000000 0.0026891130 ---------------------------------------------- . 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 = -75.9839484981056 --------------- 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 WARN: Ground state DFROKS not converged 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 = -75.9265400254143 --------------- 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 = -99.5748529729374 --------------- ROKS gradients --------------- x y z 0 H 0.0000000000 0.0000000000 -0.1479101548 1 F -0.0000000000 0.0000000000 0.1479140856 ---------------------------------------------- converged SCF energy = -99.5748530769592 --------------- ROKS gradients --------------- x y z 0 H -0.0000000000 -0.0000000000 -0.1479101103 1 F -0.0000000000 0.0000000000 0.1479099091 ---------------------------------------------- .converged SCF energy = -75.3503514141293 --------------- 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 -0.657640956457277 >= system LUMO -0.657640956457279 output file: /dev/null .. pyscf/grad/test/test_tduks_grad.py WARN: system HOMO -0.378610208755894 >= system LUMO -0.378610208755903 WARN: system HOMO -0.402961503965006 >= system LUMO -0.402961503965007 output file: /dev/null ....WARN: system HOMO -0.52539915738465 >= system LUMO -0.525399157384655 .. pyscf/grad/test/test_ucisd.py WARN: system HOMO 0.12399495943725 >= system LUMO -0.474582388935664 does not have attributes state output file: /dev/null .WARN: system HOMO 0.123994959437247 >= system LUMO -0.474582388935664 .. pyscf/grad/test/test_uhf.py WARN: system HOMO 0.426371235761392 >= system LUMO 0.426371235761392 WARN: system HOMO -0.065593335977105 >= system LUMO -0.065593335977105 output file: /dev/null output file: /dev/null .WARN: system HOMO 0.426381156259215 >= system LUMO 0.426381156259215 WARN: system HOMO -0.065600055014517 >= system LUMO -0.065600055014517 .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 = 2.220446e-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 -0.40220417567342 >= system LUMO -0.40220417567342 output file: /dev/null ...WARN: system HOMO -0.426968666148786 >= system LUMO -0.426968666148786 WARN: system HOMO -0.403556164845612 >= system LUMO -0.403556164845612 .WARN: system HOMO -0.412606810789276 >= system LUMO -0.412606810789276 .WARN: system HOMO -0.402237385896597 >= system LUMO -0.402237385896597 ...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 0.123994959437247 >= system LUMO -0.474582388935663 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 = -5.66198034773818 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/tmp659eb3dg ..WARN: alpha-B1 HOMO -0.296386608205457 > system LUMO -0.296386608205457 .....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 H ECP lanl2dz not found for O1 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='dde0201dac534169be5cb98ebf336b62', release='6.16.7-200.fc42.x86_64', version='#1 SMP PREEMPT_DYNAMIC Thu Sep 11 17:46:54 UTC 2025', machine='x86_64') 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 08:50:02 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: 1959.82 ......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 = -76.0267656731175 ...... 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 -0.350826694589574 WARN: system HOMO -0.350826694589572 >= system LUMO -0.350826694589574 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 0.12399495943725 >= system LUMO -0.474582388935664 output file: /dev/null ..WARN: system HOMO 0.123994959437247 >= system LUMO -0.474582388935664 .WARN: system HOMO 0.123994959437247 >= system LUMO -0.474582388935663 . pyscf/hessian/test/test_uks.py WARN: system HOMO -0.423203467980705 >= system LUMO -0.423203467980705 output file: /dev/null .WARN: system HOMO -0.40220417567342 >= system LUMO -0.40220417567342 .WARN: system HOMO -0.412602341413478 >= system LUMO -0.412602341413478 WARN: MGGA Hessian is sensitive to dft grids. grids.level 4 may not be dense enough. .WARN: system HOMO -0.460823893561093 >= system LUMO -0.460823893561093 .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) ....0.0975250171600259 0.08628377429125905 0.0897864626455584 .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 2.05302369] max|de|= -0.0367 lindep= 0.0169 davidson 12 24 |r|= 0.0535 e= [0.99970031 2.01364193] max|de|= -0.0394 lindep= 0.00837 davidson 13 26 |r|= 0.0232 e= [0.99998354 2.00129371] max|de|= -0.0123 lindep= 0.00369 davidson 14 2 |r|= 0.0232 e= [0.99998354 2.00129371] max|de|= 2.14e-13 lindep= 0.994 Old state -> New state 0 -> 1 davidson 15 4 |r|= 12.8 e= [-128.63815185 1.00006404] max|de|= -130 lindep= 0.000535 Old state -> New state 1 -> 0 0 -> 1 davidson 16 6 |r|= 0.00608 e= [1.00000838 2.00012942] max|de|= 131 lindep= 0.000819 davidson 17 8 |r|= 0.00511 e= [1.00001955 1.99988533] max|de|= -0.000244 lindep= 0.000295 davidson 18 10 |r|= 0.00509 e= [1.00000358 2.0000858 ] max|de|= 0.0002 lindep= 0.000552 davidson 19 12 |r|= 0.00326 e= [1.00001206 1.99998608] max|de|= -9.97e-05 lindep= 0.00024 davidson 20 14 |r|= 0.00325 e= [1.00000769 1.99995309] max|de|= -3.3e-05 lindep= 0.0003 davidson 21 16 |r|= 0.00214 e= [1.00001247 1.99989414] max|de|= -5.9e-05 lindep= 0.000142 davidson 22 18 |r|= 0.0024 e= [1.00002995 1.99975069] max|de|= -0.000143 lindep= 0.000138 davidson 23 20 |r|= 0.00157 e= [1.00001866 1.99984007] max|de|= 8.94e-05 lindep= 7.78e-05 davidson 24 22 |r|= 0.00189 e= [1.00000459 1.99996753] max|de|= 0.000127 lindep= 9.65e-05 davidson 25 24 |r|= 0.00118 e= [1.00001284 1.99981877] max|de|= -0.000149 lindep= 6.67e-05 davidson 26 26 |r|= 0.00129 e= [1.00000295 1.99994393] max|de|= 0.000125 lindep= 5.72e-05 root 0 converged |r|= 8.15e-05 e= 1.0000029478590058 max|de|= 2.38e-13 davidson 27 2 |r|= 0.00129 e= [1.00000295 1.99994393] max|de|= -6.05e-13 lindep= 0.995 Old state -> New state 0 -> 1 davidson 28 3 |r|= 12.8 e= [-128.60372074 1.00000542] max|de|= -130 lindep= 0.0014 Old state -> New state 1 -> 0 0 -> 1 davidson 29 5 |r|= 0.00105 e= [1.00000938 1.99984354] max|de|= 131 lindep= 2.77e-05 davidson 30 7 |r|= 0.000852 e= [0.99999574 2.00006475] max|de|= 0.000221 lindep= 5.17e-05 davidson 31 9 |r|= 0.000671 e= [0.99998742 2.00018801] max|de|= 0.000123 lindep= 1.79e-05 davidson 32 11 |r|= 0.000663 e= [0.99999162 2.00011686] max|de|= -7.11e-05 lindep= 3.04e-05 davidson 33 13 |r|= 0.000386 e= [0.99999597 2.00003993] max|de|= -7.69e-05 lindep= 1.32e-05 davidson 34 15 |r|= 0.000369 e= [0.99999848 1.99999787] max|de|= -4.21e-05 lindep= 5.1e-06 davidson 35 17 |r|= 0.00037 e= [1.00000135 1.9999547 ] max|de|= -4.32e-05 lindep= 1.21e-05 davidson 36 19 |r|= 0.0003 e= [1.00000449 1.99989803] max|de|= -5.67e-05 lindep= 6.1e-06 davidson 37 21 |r|= 0.000374 e= [1.00000136 1.99996167] max|de|= 6.36e-05 lindep= 1.36e-05 davidson 38 23 |r|= 0.000242 e= [1.00000272 1.99992065] max|de|= -4.1e-05 lindep= 6.37e-06 davidson 39 25 |r|= 0.000297 e= [1.00000094 1.99996801] max|de|= 4.74e-05 lindep= 6.47e-06 root 0 converged |r|= 8.63e-06 e= 1.0000009391703006 max|de|= -8.49e-13 root 1 converged |r|= 0.000297 e= 1.9999680145391134 max|de|= 1.31e-12 converged 40 2 |r|= 0.000297 e= [1.00000094 1.99996801] max|de|= 1.31e-12 ...... 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 = -0.745871793035568 CASSCF energy = -0.745871793035568 CASCI E = -0.745871793035568 E(CI) = -1.27504900395557 S^2 = 2.0000000 MC-PDFT state 0 E = -0.747029039393876, Eot(tPBE) = -0.8376844530798245 ....... 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 = -0.224265907958678 E(SCS-RMP2) = -112.299038991277 E_corr = -0.216448438441428 CASCI E = -112.226000328580 E(CI) = -31.8210633219254 S^2 = 0.0000000 E(RCISD) = -112.2875211579922 E_corr = -0.2049306051566231 CASCI E = -112.229969222526 E(CI) = -31.8074519951020 S^2 = 0.0000000 E(CCSD) = -112.3000900518833 E_corr = -0.2174994990477187 CASCI E = -112.229927750849 E(CI) = -31.8065699820850 S^2 = 0.0000000 .converged SCF energy = -148.766722176949 = 2.0191588 2S+1 = 3.0127455 E(UMP2) = -149.005501433401 E_corr = -0.238779256452785 E(SCS-UMP2) = -148.98466883231 E_corr = -0.21794665536083 CASCI E = -148.862413069136 E(CI) = -47.1269370987052 S^2 = 2.0000000 E(UCISD) = -148.9872768082675 E_corr = -0.2205546313187943 CASCI E = -148.863408889092 E(CI) = -47.1038204022035 S^2 = 2.0000000 E(UCCSD) = -148.9994381955186 E_corr = -0.2327160185699346 CASCI E = -148.863468765340 E(CI) = -47.1044628976719 S^2 = 2.0000000 ....................... pyscf/mcscf/test/test_apc.py converged SCF energy = -77.3553819527408 ** 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 -0.478461393546192 >= system LUMO -0.478461393546192 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 -0.0931797107742206 == LUMO -0.0925136982211485 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 0.123994959437249 >= system LUMO -0.474582388935664 WARN: alpha-A1 HOMO 0.12399495943725 > system LUMO -0.474582388935663 WARN: alpha-B1 HOMO -0.474582388935663 > system LUMO -0.474582388935663 WARN: beta-A1 LUMO 0.12399495943725 < system HOMO 0.12399495943725 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 0.123994959437248 >= 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/tmp_z2_k2ur. output file: /dev/null .... pyscf/mp/test/test_dfmp2_native.py ............... pyscf/mp/test/test_dfump2.py WARN: system HOMO -0.476818251418641 >= system LUMO -0.476818251418641 WARN: system HOMO -0.476751467460367 >= system LUMO -0.476751467460367 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/tmpu6g4m774. 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 0.123994959437248 >= system LUMO -0.474582388935664 output file: /dev/null ....Overwritten attributes ao2mo of .... pyscf/mp/test/test_mp2.py output file: /dev/null converged SCF energy = -0.466581849557276 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 0.100626554688224 >= system LUMO -0.476818251418642 WARN: system HOMO 0.100626554688223 >= system LUMO -0.476818251418641 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 = -75.598253637061 CASSCF energy = -75.7956510716015 CASCI E = -75.7956510716015 E(CI) = -20.2461903117021 S^2 = 0.0000000 CASCI state-averaged energy = -75.7956510716015 CASCI energy for each state State 0 weight 0.5 E = -75.8131973212191 S^2 = 0.0000000 State 1 weight 0.5 E = -75.778104821984 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 = -75.8131973212383 E(CI) = -20.2637365613389 S^2 = 0.0000000 CASCI state 1 E = -75.7781048220074 E(CI) = -20.2286440621080 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 = -0.03696070012973 Sij (+2) , E = -0.00000418152588 Sir (0)' , E = -0.00025525995867 Nevpt2 Energy = -0.053974577189713 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 = -0.050363803722344 .. pyscf/nac/test/test_cmspdft.py ...... pyscf/nac/test/test_sacasscf.py ...... pyscf/pbc/adc/test/test_ground_state_energy.py .MPn: -0.02095766433619932 . pyscf/pbc/adc/test/test_k_ea.py MPn: -0.020957664336198677 . pyscf/pbc/adc/test/test_k_ip.py MPn: -0.020957664336199146 .MPn: -0.021717502802274958 . pyscf/pbc/adc/test/test_k_vs_supercell_ea.py .MPn: -0.02095766433619936 .MPn: -0.02095766433619936 .MPn: -0.020836668484090423 . pyscf/pbc/adc/test/test_k_vs_supercell_ip.py .MPn: -0.020957664336199125 .MPn: -0.020957664336199125 .MPn: -0.02083666848409012 . pyscf/pbc/adc/test/test_kadc.py WARN: Even tempered Gaussians are generated as DF auxbasis for C output file: /dev/null MPn: -0.1146481899380038 MPn: -0.1146481899380038 MPn: -0.1146481899380038 MPn: -0.0035321186648217626 . 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 nonzero_opadding kpts nonzero_vpadding kconserv does not have attributes kpts nonzero_vpadding nonzero_opadding kconserv converged does not have attributes nonzero_opadding kpts nonzero_vpadding kconserv does not have attributes kpts nonzero_vpadding nonzero_opadding kconserv converged 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= 0.1282853399425327 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= 0.1183018874998373 max|de|= 9.71e-17 davidson 10 3 |r|= 0.00116 e= [0.11830189 0.11830515 0.12828534] max|de|= -3.33e-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= 0.11830200398682693 max|de|= -9.7e-08 converged 12 5 |r|= 0.000214 e= [0.11830189 0.118302 0.12828534] max|de|= -9.7e-08 does not have attributes kpts debug_vals kconserv converged 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= 0.728 davidson 1 6 |r|= 0.12 e= [0.0795431 0.07954312 0.09259077] 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 0.08114771] 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= 0.0792802599649816 max|de|= -3.79e-08 root 2 converged |r|= 1.11e-05 e= 0.0792802599761366 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= 0.07928025295974228 max|de|= 5.68e-08 converged 8 21 |r|= 1.11e-05 e= [0.07928025 0.07928026 0.07928026] max|de|= 5.68e-08 . does not have attributes nonzero_opadding kpts nonzero_vpadding kconserv does not have attributes kpts nonzero_vpadding nonzero_opadding kconserv converged does not have attributes nonzero_opadding kpts nonzero_vpadding kconserv does not have attributes kpts nonzero_vpadding nonzero_opadding kconserv converged 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 nonzero_opadding kpts nonzero_vpadding kconserv does not have attributes nonzero_opadding kpts nonzero_vpadding kconserv does not have attributes kpts nonzero_vpadding nonzero_opadding kconserv converged does not have attributes kpts nonzero_vpadding nonzero_opadding kconserv converged . does not have attributes nonzero_opadding kpts nonzero_vpadding kconserv does not have attributes nonzero_opadding kpts nonzero_vpadding kconserv ... does not have attributes kpts debug_vals kconserv does not have attributes kpts debug_vals kconserv converged 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 nonzero_opadding kpts nonzero_vpadding kconserv does not have attributes nonzero_opadding kpts nonzero_vpadding kconserv .. pyscf/pbc/cc/test/test_eom_kuccsd_diag.py converged SCF energy = -3.88042270970072 E(KUCCSD) = -3.890869513937989 E_corr = -0.0104468042372673 .converged SCF energy = -3.88042270970072 E(KUCCSD) = -3.890869513937988 E_corr = -0.01044680423726729 .converged SCF energy = -3.88042270970072 E(KUCCSD) = -3.890869513937989 E_corr = -0.01044680423726728 .converged SCF energy = -3.88042270970072 E(KUCCSD) = -3.890869513937989 E_corr = -0.01044680423726731 .converged SCF energy = -4.27149921464943 E(KUCCSD) = -4.281815097481227 E_corr = -0.01031588283179308 .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 -48.89126358639485 WARN: Non-zero imaginary part of CCSD(T) energy was found -48.89126358639406 .. 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 (0.3045791184317861-0.034154153414888234j) WARN: Non-zero imaginary part found in KCCSD energy (0.30457911843178576-0.034154153414887825j) . 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 H O converged SCF energy = -16.8936587567774 E(RCCSD) = -17.10189047801174 E_corr = -0.2082317212343295 RCCSD(T) correction = -0.00337168943189487 WARN: Even tempered Gaussians are generated as DF auxbasis for H O converged SCF energy = -16.8936587567774 E(RCCSD) = -17.10189047801174 E_corr = -0.2082317212343222 RCCSD(T) correction = -0.00337168943189473 . 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 818 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=7.83e-16 davidson 3 4 |r|= 7.83e-16 e= [1.4249289] max|de|= -1.35e-07 lindep= 1 Linear dependency in trial subspace. |r| for each state [0.] CIS root 0 E = 1.424928903272995 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|= 1.54e-15 e= 1.5164274366462946 max|de|= -3.43e-08 converged 3 4 |r|= 1.54e-15 e= [1.51642744] max|de|= -3.43e-08 CIS root 0 E = 1.516427436646295 CPU time for CIS diagonalization 0.01 sec, wall time 0.01 sec CPU time for CIS 0.07 sec, wall time 0.06 sec . pyscf/pbc/ci/test/test_cisd.py converged SCF energy = -4.58399427889068 E(RCISD) = -4.594709793601477 E_corr = -0.01071551471079411 E(UCISD) = -4.594709793601059 E_corr = -0.01071551471037602 E(GCISD) = -4.594709793601065 E_corr = -0.01071551471038228 . 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 = -5.24728359001114 . 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 = -0.687018457226162 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 = -0.674692142281996 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 = -0.678851816639723 . 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/tmppo6bh1zy. .WARN: Overwritting j3c in /tmp/tmp4610fg6b. WARN: Overwritting j3c in /tmp/tmp4610fg6b. .WARN: Overwritting j3c in /tmp/tmp7diqvuf_. WARN: Overwritting j3c in /tmp/tmp7diqvuf_. .WARN: Overwritting j3c in /tmp/tmpl2ivy8zm. WARN: Overwritting j3c in /tmp/tmpl2ivy8zm. .WARN: Overwritting j3c in /tmp/tmpcxrl069a. .WARN: Overwritting j3c in /tmp/tmph51nsb0a. .WARN: Overwritting j3c in /tmp/tmp8liuep7i. .WARN: Overwritting j3c in /tmp/tmpq8t581ie. .WARN: Overwritting j3c in /tmp/tmpn7bl1f9c. ..........WARN: Overwritting j3c in /tmp/tmpy7tlsvm7. .WARN: Overwritting j3c in /tmp/tmpwyt1fk03. WARN: Overwritting j3c in /tmp/tmpwyt1fk03. WARN: Overwritting j3c in /tmp/tmpwyt1fk03. WARN: Overwritting j3c in /tmp/tmpwyt1fk03. .WARN: Overwritting j3c in /tmp/tmp4rrg6puv. WARN: Overwritting j3c in /tmp/tmp4rrg6puv. WARN: Overwritting j3c in /tmp/tmp4rrg6puv. WARN: Overwritting j3c in /tmp/tmp4rrg6puv. .WARN: Overwritting j3c in /tmp/tmp858akezz. .WARN: Overwritting j3c in /tmp/tmppy2731mg. .WARN: Overwritting j3c in /tmp/tmpoxvoip2m. . 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/tmp_3wnb_7m. .WARN: Overwritting j3c in /tmp/tmptyyw3x70. WARN: Overwritting j3c in /tmp/tmptyyw3x70. WARN: Overwritting j3c in /tmp/tmptyyw3x70. WARN: Overwritting j3c in /tmp/tmptyyw3x70. .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/tmpog2oyudu. WARN: Overwritting j3c in /tmp/tmpog2oyudu. WARN: Overwritting j3c in /tmp/tmpog2oyudu. WARN: Overwritting j3c in /tmp/tmpog2oyudu. .WARN: Overwritting j3c in /tmp/tmp09z00gig. .WARN: Overwritting j3c in /tmp/tmp6swxwc78. .... 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 = -0.384607520231981 .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 = -0.38460752023198 .SCF not converged. SCF energy = -4.21340345908701 SCF not converged. SCF energy = -4.21340345908701 .... 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 = 3.4483527e-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 = -4.55799469715288 --------------- KRKS gradients --------------- x y z 0 He 0.0037621786 0.0000000046 0.0000000046 1 He -0.0036176159 -0.0000000047 -0.0000000047 ---------------------------------------------- converged SCF energy = -4.55799470621079 F.converged SCF energy = -2.44168568934373 --------------- KRKS gradients --------------- x y z 0 He 0.0036862933 -0.0000000001 -0.0000000001 1 He -0.0036862933 0.0000000001 0.0000000001 ---------------------------------------------- converged SCF energy = -2.44168569330203 Fconverged SCF energy = -4.484116609169 --------------- KRKS gradients --------------- x y z 0 He 0.0036526808 0.0000000060 0.0000000060 1 He -0.0036526616 -0.0000000060 -0.0000000060 ---------------------------------------------- converged SCF energy = -4.48411661696043 F.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 = -4.67158844084002 F.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 = -2.67072142172162 Fconverged 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 F. 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 = -15.939464667887 --------------- 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 ...F 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 = -2.28740867221805 converged SCF energy = -2.2836141689169 converged SCF energy = -2.26197131934003 converged SCF energy = -2.26197131934003 converged SCF energy = -2.28740867221805 converged SCF energy = -1.88649138906636 = 0.75 2S+1 = 2 converged SCF energy = -1.88649138906636 = 0.75 2S+1 = 2 converged SCF energy = -1.87317900517165 = 0.75 2S+1 = 2 converged SCF energy = -1.87568822352921 = 0.75 2S+1 = 2 converged SCF energy = -1.88649138906636 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 = -1.88649138906636 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 = 9.321697110904878e-15 3.552713678800501e-15 1.0000000000000001e-11 error = 5.2563129397183606e-14 1.8438783884279822e-14 1e-10 error = 1.4704044963872564e-13 5.345028534223728e-14 1e-09 error = 9.05072438057108e-12 3.857013610246475e-12 1e-08 error = 1.411373161723539e-10 6.642923538832837e-11 1.0000000000000001e-07 error = 4.0797609926840183e-10 1.966433493948575e-10 1e-06 error = 3.1154783250328514e-09 1.6830821505171812e-09 1e-05 error = 9.64539405216294e-08 6.276874331132825e-08 0.0001 error = 2.9099450905681986e-07 1.9614669573716038e-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/tmpu1ojv4fo (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 1083 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= -2.19900563736489 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= -2.22e-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 1083 MB) E(KMP2) = -2.20062621657753 E_corr = -0.00162057921211039 E(SCS-KMP2) = -2.20078176770685 E_corr = -0.00177613034143103 E_corr(same-spin) = -0.000194497745886275 E_corr(oppo-spin) = -0.00142608146622412 . 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 = -4.57320061776638 .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 = -0.366082521782826 WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.366082521760475 .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 = -0.366082521782825 does not have attributes use_ao_symmetry converged SCF energy = -0.366082521760257 WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.36608252178304 does not have attributes use_ao_symmetry converged SCF energy = -0.3660825217603 WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.366082521199488 does not have attributes use_ao_symmetry converged SCF energy = -0.36608252169842 WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.5000282850721 does not have attributes use_ao_symmetry converged SCF energy = -0.500028285152331 WARN: Even tempered Gaussians are generated as DF auxbasis for H converged SCF energy = -0.50002828505887 does not have attributes use_ao_symmetry converged SCF energy = -0.500028285151235 .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 2.63429280918516 >= system LUMO 0.15334337791265 WARN: system HOMO 3.34131318984707 >= system LUMO 0.408215936149254 WARN: system HOMO 3.30858464277637 >= system LUMO 0.468305596121155 WARN: system HOMO 3.29521895819993 >= system LUMO 0.455845687423708 WARN: system HOMO 3.29427528140415 >= system LUMO 0.457266018358502 WARN: system HOMO 3.29426084404913 >= system LUMO 0.457216787559792 WARN: system HOMO 3.29426169491203 >= system LUMO 0.457221339816726 WARN: system HOMO 3.29426176865997 >= system LUMO 0.457221297572425 output file: /dev/null .WARN: system HOMO 3.36070922822747 >= system LUMO 0.420162103931828 ..WARN: system HOMO 1.11042252659422 >= system LUMO -0.6672555393163 WARN: system HOMO 3.08543247056778 >= system LUMO 0.189547323119079 .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 = 0.4026769603013271 CIS root 1 E = 0.4026769603016767 CIS root 2 E = 0.4070148740300922 CIS root 3 E = 0.4256958820372854 CIS root 4 E = 0.454271995235209 CIS root 5 E = 0.4542719952369783 CIS root 6 E = 0.4838265875784755 CIS root 7 E = 0.4838265875789683 CIS root 8 E = 0.5000493564711863 CIS root 9 E = 0.5051085683629863 CIS root 10 E = 0.5051085683630713 CIS root 11 E = 0.6911339480550323 CIS root 12 E = 0.7719801646782839 CIS root 13 E = 0.7719801646784172 CIS root 14 E = 0.817204262897307 CIS root 15 E = 0.8172042628976321 CIS root 16 E = 0.8385827521389261 CIS root 17 E = 0.841746121502139 CIS root 18 E = 0.8417461215022535 CIS root 19 E = 0.8556741507733324 CIS root 20 E = 0.8903397274153233 CIS root 21 E = 1.001968089986666 CIS root 22 E = 1.001968089988195 CIS root 23 E = 1.016078317354629 CIS root 24 E = 1.020923182066553 CIS root 25 E = 1.020923182067834 CIS root 26 E = 1.172428054762573 CIS root 27 E = 1.210113372068708 CIS root 28 E = 1.257930546142163 CIS root 29 E = 1.302175690244707 CIS root 30 E = 1.302175690246043 CIS root 31 E = 1.653058138777533 kshift = 1 CIS root 0 E = 0.4057800863403666 CIS root 1 E = 0.4057800863406089 CIS root 2 E = 0.4341698256779292 CIS root 3 E = 0.4954384599088019 CIS root 4 E = 0.4954384599096093 CIS root 5 E = 0.5318454796390859 CIS root 6 E = 0.5642214757541874 CIS root 7 E = 0.564221475755094 CIS root 8 E = 0.6137879440397922 CIS root 9 E = 0.6137879440401373 CIS root 10 E = 0.699149907303375 CIS root 11 E = 0.699149907303543 CIS root 12 E = 0.7716378084778261 CIS root 13 E = 0.7716378084779679 CIS root 14 E = 0.786612956458602 CIS root 15 E = 0.8037707297910809 CIS root 16 E = 0.8108584258243303 CIS root 17 E = 0.8108584258243693 CIS root 18 E = 0.8113434359324911 CIS root 19 E = 0.8132380505772755 CIS root 20 E = 0.8886406263072143 CIS root 21 E = 0.9209297061362655 CIS root 22 E = 0.9209297061374561 CIS root 23 E = 0.9868748537069058 CIS root 24 E = 0.9868748537081291 CIS root 25 E = 1.036689924509663 CIS root 26 E = 1.166054162394859 CIS root 27 E = 1.252614350920245 CIS root 28 E = 1.333883781825898 CIS root 29 E = 1.33388378182735 CIS root 30 E = 1.354653341342766 CIS root 31 E = 1.531005424119748 ....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 0.427552128774937 >= system LUMO -0.392409139203589 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 0.594505807524141 >= system LUMO -0.119761480517416 WARN: system HOMO 0.427552128774937 >= system LUMO -0.392409139203589 output file: /dev/null output file: /dev/null .. pyscf/pbc/tdscf/test/test_uks.py output file: /dev/null .....WARN: system HOMO 0.351086049512664 >= system LUMO -0.164942853521485 WARN: system HOMO 0.372224369917024 >= system LUMO -0.109398145082481 WARN: system HOMO 0.369788985313137 >= system LUMO -0.119864040275764 WARN: system HOMO 0.371281163613043 >= system LUMO -0.117223123560064 WARN: system HOMO 0.371421958814974 >= system LUMO -0.117233000966014 WARN: system HOMO 0.371422609067504 >= system LUMO -0.117231178820795 WARN: system HOMO 0.237008333008524 >= system LUMO -0.316466163790791 WARN: system HOMO 0.385331124060037 >= system LUMO -0.0783033012630696 WARN: system HOMO 0.370586778103578 >= system LUMO -0.118735731497207 WARN: system HOMO 0.370145454518542 >= system LUMO -0.118489586217727 WARN: system HOMO 0.370145883993405 >= system LUMO -0.118500873852522 WARN: system HOMO 0.370147407363324 >= system LUMO -0.118500055354104 output file: /dev/null output file: /dev/null ..output file: /dev/null ..WARN: system HOMO 0.401537400973307 >= system LUMO -0.167674079336168 WARN: system HOMO 0.437539778388606 >= system LUMO -0.0282605109698073 WARN: system HOMO 0.437070095840266 >= system LUMO -0.0372085070177115 WARN: system HOMO 0.439047499952016 >= system LUMO -0.0335878500451826 WARN: system HOMO 0.439142363904073 >= system LUMO -0.0339808473564062 WARN: system HOMO 0.439143560087977 >= system LUMO -0.0339786693013244 WARN: system HOMO 0.439143624292926 >= system LUMO -0.0339781906975344 WARN: system HOMO 0.27571815142651 >= system LUMO -0.347810183146945 WARN: system HOMO 0.448255108755832 >= system LUMO 0.000187108257608666 WARN: system HOMO 0.437265796382036 >= system LUMO -0.0355777686366804 WARN: system HOMO 0.437730027972805 >= system LUMO -0.0352559539014646 WARN: system HOMO 0.437836465438027 >= system LUMO -0.0352618010562587 WARN: system HOMO 0.437840285681179 >= system LUMO -0.0352584746575083 WARN: system HOMO 0.437840445140682 >= system LUMO -0.0352576925740573 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 = -4.75796144861121 .... 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 = -76.1041683968316 --------------- 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 = -76.1043507936665 converged SCF energy = -76.1039851836304 E(CCSD) = -76.32749086071732 E_corr = -0.2233224638857719 --------------- 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 = -76.1043507936665 E(CCSD_Scanner) = -76.327630335092 E_corr = -0.2232795414255322 converged SCF energy = -76.1039851836304 E(CCSD_Scanner) = -76.3273506407852 E_corr = -0.2233654571548181 .... pyscf/scf/test/test_addons.py WARN: system HOMO 0.12399495943725 >= system LUMO -0.474582388935664 WARN: alpha-A1 HOMO 0.123994959437247 > system LUMO -0.474582388935664 WARN: alpha-B1 HOMO -0.474582388935664 > system LUMO -0.474582388935664 WARN: beta-A1 LUMO 0.123994959437247 < system HOMO 0.123994959437247 output file: /dev/null .Overwritten attributes get_fock of Overwritten attributes get_fock of WARN: beta nocc = 5 HOMO 0.553920869506784 >= LUMO 0.554452549249539 .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 -0.0370208892610356 >= system LUMO -0.672294795662077 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 = -106.931080040157 .Overwritten attributes get_ovlp get_hcore of converged SCF energy = -2.93405853397115 = -5.3290705e-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 0.185436673760555 > system LUMO -0.493132508003259 WARN: A1 LUMO 0.185436687149443 < system HOMO 0.185436673760555 WARN: B1 HOMO -0.493132512417346 > system LUMO -0.493132508003259 WARN: B1 LUMO -0.493132508003259 < system HOMO 0.185436673760555 WARN: A1 LUMO -0.566643139817738 < system HOMO 3.33789883391777 WARN: B1 HOMO -0.493132512417346 > system LUMO -0.698754141849936 WARN: B1 LUMO -0.493132508003259 < system HOMO 3.33789883391777 WARN: A1 HOMO 2.48888851265683 > system LUMO 0.185436659909897 WARN: B1 HOMO 3.28557598511699 > system LUMO 0.185436659909897 WARN: B2 HOMO 1.25344055578537 > system LUMO 0.185436659909897 .WARN: HOMO -0.827743760903046 == 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/tmp2d5br517. 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 = -0.466581849557276 .converged SCF energy = -23.8678185857788 ..WARN: SCF object must be initialized before calling post-SCF methods. Initialize for .converged SCF energy = -1.11639404821571 WARN: len(magmom) != natm. Set magmom to zero converged SCF energy = -1.1163913004438 .output file: /dev/null ..Overwritten attributes check_convergence of .......WARN: HOMO -0.880315412771354 == LUMO -0.880315412771354 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 0.100626554688228 < system HOMO 0.198508644776469 WARN: B2 HOMO 0.198508644776469 > system LUMO -0.476818251418639 WARN: B2 HOMO -0.113121335058513 > system LUMO -0.472959238444584 WARN: B2 HOMO -0.0790511410480225 > system LUMO -0.274498071320729 WARN: B2 HOMO -0.0779978985584338 > system LUMO -0.268571234655173 WARN: B2 HOMO -0.0782185850612055 > system LUMO -0.268388137950086 WARN: B2 HOMO -0.0782286609731111 > system LUMO -0.268389187521171 WARN: B2 HOMO -0.0782243431147004 > system LUMO -0.268371663507511 WARN: B2 HOMO -0.0782234452778149 > system LUMO -0.268372805172478 WARN: B2 HOMO -0.0782236408825975 > system LUMO -0.26837338700521 .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/tmp47x6ezm7. 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 0.790973840498397 > system LUMO -0.656109050488458 WARN: A1u LUMO -0.656109050488458 < system HOMO 0.790973840498397 WARN: E1uy HOMO -0.558413963720419 > system LUMO -0.656109050488458 WARN: E1ux HOMO -0.558413963720419 > system LUMO -0.656109050488458 WARN: A1g HOMO 0.375403321704205 > system LUMO -0.525104080372026 WARN: A1u LUMO -0.525104080372026 < system HOMO 0.375403321704205 WARN: A1g HOMO 0.401950751681818 > system LUMO -0.476138571983477 WARN: A1u LUMO -0.476138571983477 < system HOMO 0.401950751681818 WARN: A1g HOMO 0.401393990445018 > system LUMO -0.476334950130314 WARN: A1u LUMO -0.476334950130314 < system HOMO 0.401393990445018 WARN: A1g HOMO 0.401411382439564 > system LUMO -0.476246745051273 WARN: A1u LUMO -0.476246745051273 < system HOMO 0.401411382439564 WARN: A1g HOMO 0.401379501275203 > system LUMO -0.476284149317529 WARN: A1u LUMO -0.476284149317529 < system HOMO 0.401379501275203 WARN: A1g HOMO 0.401386210059676 > system LUMO -0.476280686080063 WARN: A1u LUMO -0.476280686080063 < system HOMO 0.401386210059676 WARN: A1g HOMO 0.401385909196365 > system LUMO -0.476280720764204 WARN: A1u LUMO -0.476280720764204 < system HOMO 0.401385909196365 ...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 = -75.7236549363316 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 0.100626554688227 >= system LUMO -0.476818251418641 output file: /dev/null output file: /dev/null output file: /dev/null converged SCF energy = -0.466581849557276 = 0.75 2S+1 = 2 converged SCF energy = -0.466581849557276 = 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 -0.404459356383812 > system LUMO -0.404459356383812 WARN: beta-A1g LUMO -0.404459356383812 < system HOMO -0.404459356383812 .WARN: beta-A1u LUMO -0.656109050488458 < system HOMO -0.404459356383809 .Overwritten attributes get_ovlp get_hcore of converged SCF energy = 1 = 2 2S+1 = 3 ....converged SCF energy = -75.7263969090367 = 2.0038015 2S+1 = 3.0025333 converged SCF energy = -75.2245037720558 = 3.0019372 2S+1 = 3.6066257 ..output file: /dev/null ...WARN: alpha-A1 LUMO 0.100626554688227 < system HOMO 0.19850864477647 WARN: alpha-B2 HOMO 0.19850864477647 > system LUMO -0.47681825141864 WARN: beta-A1 LUMO 0.100626554688227 < system HOMO 0.19850864477647 WARN: beta-B2 LUMO 0.19850864477647 < system HOMO 0.19850864477647 WARN: alpha-B2 HOMO -0.44403070626746 > system LUMO -0.838745087395781 WARN: alpha-B2 HOMO -0.417313188723084 > system LUMO -0.604237958798904 WARN: alpha-B2 HOMO -0.420243713719432 > system LUMO -0.590716306950001 WARN: alpha-B2 HOMO -0.422142131595177 > system LUMO -0.586435350303587 WARN: alpha-B2 HOMO -0.422813147128588 > system LUMO -0.585344207583935 WARN: alpha-B2 HOMO -0.422833541001447 > system LUMO -0.585241383901403 WARN: alpha-B2 HOMO -0.42282104341301 > system LUMO -0.585276649173537 WARN: alpha-B2 HOMO -0.42282153489343 > system LUMO -0.585274419157014 WARN: alpha-B2 HOMO -0.422821159425841 > system LUMO -0.585273839864719 .. pyscf/scf/test/test_vhf.py output file: /dev/null ......... pyscf/sgx/test/test_sgx.py .converged SCF energy = -76.0267978618969 .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 -0.466581849557276 == LUMO -0.466581849557276 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 = -1.16913854112822 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 = -1.18433669486789 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 = -1.17832404272097 CASCI E = -1.18234981123583 E(CI) = -1.28878434959366 S^2 = 0.0000000 CASCI E = -1.16915206863704 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 = -1.16902902861737 E(CI) = -1.28471870162120 S^2 = 0.0000000 CASCI E = -1.16902887288681 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) = -1.29276866951822 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 = -1.18030499115363 E(CCSD_Scanner) = -1.206120694298306 E_corr = -0.02581570314467438 converged SCF energy = -1.18022058410256 E(CCSD_Scanner) = -1.206041332967829 E_corr = -0.02582074886526521 converged SCF energy = -1.18021937891372 E(CCSD_Scanner) = -1.20604022919535 E_corr = -0.02582085028162989 converged SCF energy = -1.18021934702288 E(CCSD_Scanner) = -1.206040219126017 E_corr = -0.02582087210314153 converged SCF energy = -1.18021934627634 E(CCSD_Scanner) = -1.206040225472468 E_corr = -0.02582087919612916 E(ddCOSMOCCSD_Scanner) = -1.206040225472468 E_corr = -0.02582087919612916 --------------- 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 = -0.02581773343565644 converged SCF energy = -1.18027735392909 E(CCSD_Scanner) = -1.206098774363028 E_corr = -0.02582142043393685 converged SCF energy = -1.18027659534893 E(CCSD_Scanner) = -1.20609808768275 E_corr = -0.02582149233381922 converged SCF energy = -1.18027657440786 E(CCSD_Scanner) = -1.206098082197737 E_corr = -0.02582150778987795 converged SCF energy = -1.18027657390228 E(CCSD_Scanner) = -1.206098086831106 E_corr = -0.02582151292882718 E(ddCOSMOCCSD) = -1.206098086831106 E_corr = -0.02582151292882718 converged SCF energy = -1.17820938480526 converged SCF energy = -1.18022696160799 E(CCSD_Scanner) = -1.206043426969302 E_corr = -0.02581646536131595 converged SCF energy = -1.18016290535231 E(CCSD_Scanner) = -1.205983059165481 E_corr = -0.02582015381317555 converged SCF energy = -1.18016214652766 E(CCSD_Scanner) = -1.205982372292573 E_corr = -0.02582022576491534 converged SCF energy = -1.18016212557752 E(CCSD_Scanner) = -1.20598236680874 E_corr = -0.02582024123122029 converged SCF energy = -1.18016212507152 E(CCSD_Scanner) = -1.205982371445453 E_corr = -0.02582024637393167 E(ddCOSMOCCSD) = -1.205982371445453 E_corr = -0.02582024637393167 ......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 = -1.18024777013543 converged SCF energy = -0.83152421791643 --------------- 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 = -0.831524217916421 --------------- 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 = -0.877594776273603 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 = -0.877761533938591 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: 1.1368683772161603e-13 .Energy error in RHF with C-PCM: 5.684341886080802e-14 .Energy error in RHF with IEF-PCM: 1.5631940186722204e-13 .Energy error in RHF with SS(V)PE: 5.684341886080802e-14 ....Energy error in DFRKS with IEF-PCM: 2.8421709430404007e-13 .Energy error in DFUKS with IEF-PCM: 3.410605131648481e-13 ..Energy error in RKS with IEF-PCM: 1.2789769243681803e-13 .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: 1.4210854715202004e-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: 6.315551044073869e-09 .Gradient error in RHF with CPCM: 6.064450953656258e-09 .Gradient error in RHF with IEFPCM: 5.430153348550228e-09 .Gradient error in RHF with SS(V)PE: 4.082791932948282e-09 .Gradient error in UHF with IEFPCM: 5.430151742537772e-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, 2.477428287009656e-05 Norm of H(0,1) diff, 9.117644332424017e-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, 2.47987063585672e-05 Norm of H(0,1) diff, 9.114161275399285e-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, 2.476696294190481e-05 Norm of H(0,1) diff, 9.079627318489913e-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 -0.474582388935663 >= system LUMO -0.474582388935663 .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 -0.188523345843502 > system LUMO -0.188523345843503 WARN: alpha-B2 HOMO -0.188523345843503 > system LUMO -0.188523345843503 WARN: alpha-B3 HOMO -0.188523345843503 > system LUMO -0.188523345843503 WARN: beta-B1 HOMO -0.188523345843502 > system LUMO -0.188523345843503 WARN: beta-B2 HOMO -0.188523345843502 > system LUMO -0.188523345843503 WARN: alpha-B1 HOMO -0.180429482784365 > system LUMO -0.180429482784365 WARN: alpha-B2 HOMO -0.180429482784365 > 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 -0.180429482784365 > system LUMO -0.180429482784365 WARN: beta-B1 HOMO -0.4306936285308 > system LUMO -0.430693628530799 WARN: beta-B3 HOMO -0.430960061334076 > system LUMO -0.430693628530799 .WARN: system HOMO -0.402204175673421 >= system LUMO -0.402204175673421 .WARN: system HOMO -0.460823893561094 >= system LUMO -0.460823893561094 ..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 -0.0535841219551942 == LUMO -0.0535841219511939 WARN: HOMO -0.0289425627365796 == LUMO -0.0289425627181414 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 -0.0572991040792033 == LUMO -0.0572991040792033 output file: /dev/null converged SCF energy = -76.3850439473609 = 0 2S+1 = 1 converged SCF energy = -75.9839484981055 = 4.2188475e-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 = -75.9839484981053 = 1.5760726e-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 -0.663592825229774 >= LUMO -0.663592825229773 WARN: system HOMO 0.138701849393295 >= system LUMO -0.663592825229773 output file: /dev/null ...... pyscf/tdscf/test/test_tduks.py WARN: system HOMO 0.12399495943725 >= system LUMO -0.474582388935665 WARN: system HOMO 0.0551332621382339 >= system LUMO -0.334788045268386 WARN: system HOMO 0.0886465408897074 >= system LUMO -0.282758782928141 WARN: system HOMO 0.0886441889118504 >= system LUMO -0.282773616886389 WARN: system HOMO 0.0886441889121971 >= system LUMO -0.282773616885434 WARN: HOMO -0.0067824078148248056 > LUMO -0.2827736168854339 was found in the canonicalized orbitals. WARN: system HOMO 0.00727888112256622 >= system LUMO -0.403556163792182 WARN: system HOMO 0.0206305033554975 >= system LUMO -0.330349340720081 WARN: system HOMO 0.0206319362906082 >= system LUMO -0.330363795930192 WARN: system HOMO 0.020631936292652 >= system LUMO -0.330363795927965 WARN: HOMO -0.04317085164336062 > LUMO -0.3303637959279644 was found in the canonicalized orbitals. WARN: system HOMO 0.0253009809400039 >= system LUMO -0.423203468803302 WARN: system HOMO 0.0524490807336177 >= system LUMO -0.267789325739233 WARN: system HOMO 0.0524457365889118 >= system LUMO -0.267803128099593 WARN: system HOMO 0.0524457365891285 >= system LUMO -0.267803128099393 WARN: HOMO -0.06200886137629777 > LUMO -0.26780312809939255 was found in the canonicalized orbitals. WARN: system HOMO 0.0225616257110044 >= system LUMO -0.412606810788662 WARN: system HOMO 0.0562451659168561 >= system LUMO -0.27887333452744 WARN: system HOMO 0.0485614052784748 >= system LUMO -0.304443047703532 WARN: system HOMO 0.0571482173723486 >= system LUMO -0.295130522095198 WARN: system HOMO 0.057191988272198 >= system LUMO -0.295108199128353 WARN: system HOMO 0.0570417942195747 >= system LUMO -0.295151444354703 WARN: system HOMO 0.0569846652234952 >= system LUMO -0.295155742153025 WARN: system HOMO 0.0569766822742712 >= system LUMO -0.295157007013835 output file: /dev/null ........WARN: alpha-A1 HOMO 0.123994959437248 > system LUMO -0.474582388935664 WARN: alpha-B1 HOMO -0.474582388935664 > system LUMO -0.474582388935664 WARN: beta-A1 LUMO 0.123994959437248 < system HOMO 0.123994959437248 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 = 4.4408921e-16 2S+1 = 1 Excited State energies (eV) [12.983606 16.412375 22.843946 28.246114 42.306178] .WARN: alpha-A1 HOMO 0.00960666559808981 > system LUMO -0.402204175673421 WARN: alpha-B1 HOMO -0.402204175673421 > system LUMO -0.402204175673421 WARN: beta-A1 LUMO 0.00960666559808921 < system HOMO 0.00960666559808981 WARN: alpha-A1 HOMO -0.0331170239886231 > system LUMO -0.317640540015869 WARN: alpha-A1 HOMO -0.0405528836413908 > system LUMO -0.358159237314037 WARN: alpha-A1 HOMO -0.0377311299595938 > system LUMO -0.353196723402984 WARN: alpha-A1 HOMO -0.0380399599628921 > system LUMO -0.353189244557369 WARN: alpha-A1 HOMO -0.0380254811043582 > system LUMO -0.353206734680393 WARN: alpha-A1 HOMO -0.0380259995448754 > system LUMO -0.353206261452324 WARN: alpha-A1 HOMO -0.0380259900087244 > system LUMO -0.353206229367642 .....WARN: alpha-A1 HOMO 0.00960666559809138 > system LUMO -0.402204175673421 WARN: alpha-B1 HOMO -0.402204175673421 > system LUMO -0.402204175673421 WARN: beta-A1 LUMO 0.00960666559809138 < system HOMO 0.00960666559809138 WARN: alpha-A1 HOMO -0.0331170239886263 > system LUMO -0.317640540015871 WARN: alpha-A1 HOMO -0.0405528836413939 > system LUMO -0.35815923731404 WARN: alpha-A1 HOMO -0.0377311299595943 > system LUMO -0.353196723402984 WARN: alpha-A1 HOMO -0.0380399599628858 > system LUMO -0.35318924455737 WARN: alpha-A1 HOMO -0.0380254811043541 > system LUMO -0.353206734680393 WARN: alpha-A1 HOMO -0.0380259995448691 > system LUMO -0.353206261452324 WARN: alpha-A1 HOMO -0.0380259900087268 > system LUMO -0.353206229367642 .WARN: alpha-A1 HOMO 0.123994959437248 > system LUMO -0.474582388935664 WARN: alpha-B1 HOMO -0.474582388935664 > system LUMO -0.474582388935664 WARN: beta-A1 LUMO 0.123994959437248 < system HOMO 0.123994959437248 . pyscf/tools/test/test_cubegen.py ...output file: /dev/null . pyscf/tools/test/test_fcidump.py ..Parsing /tmp/tmpmygyhdsi Parsing /tmp/tmps6a8futn .Overwritten attributes get_ovlp get_hcore of Parsing /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscftmpdir/tmp8gticwcv 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/tmpy7vtagvp . 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 1089 MB) Set gradient conv threshold to 3.16228e-05 Initial guess from minao. init E= -0.691603264306377 HOMO = -0.402206600618452 LUMO = 0.361046123922442 cycle= 1 E= -1.06610864931794 delta_E= -0.375 |g|= 4.44e-16 |ddm|= 0.9 HOMO = -0.484441680354209 LUMO = 0.457501939047873 cycle= 2 E= -1.06610864931794 delta_E= -4.44e-16 |g|= 1.11e-16 |ddm|= 7.28e-16 HOMO = -0.484441680354209 LUMO = 0.457501939047874 Extra cycle E= -1.06610864931794 delta_E= 4.44e-16 |g|= 4.44e-16 |ddm|= 7.28e-16 converged SCF energy = -1.06610864931794 ******** for ******** unit = Eh/Bohr max_memory 4000 MB (current use 1089 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 1089 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= 0 |g|= 2.22e-16 |ddm|= 0 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 -0.0573070260653485 == LUMO -0.0573070260557551 WARN: HOMO -0.0330089758191929 == LUMO -0.0330089758096576 output file: /dev/null ...WARN: HOMO -0.117750477505502 == LUMO -0.117750477495725 ... pyscf/x2c/test/test_x2c.py output file: /dev/null . WARN: HOMO -0.0372356359580609 == LUMO -0.0369693195958542 converged SCF energy = -37.6494036946306 converged SCF energy = -37.6494036946587 = 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 -0.129969371942306 == LUMO -0.12964391344134 converged SCF energy = -37.8217455761713 converged SCF energy = -37.8217455761992 = 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(-794721.1974599421) within 9 places (np.float64(5.820766091346741e-10) difference) pyscf/cc/test/test_rccsd_lambda.py:263: AssertionError _________________________ KnownValues.test_rsh_get_jk __________________________ self = def test_rsh_get_jk(self): nao = mol.nao_nr() numpy.random.seed(1) dm = numpy.random.random((2,nao,nao)) dfobj = df.DF(mol) vj, vk = dfobj.get_jk(dm, hermi=0, omega=1.1) self.assertAlmostEqual(lib.fp(vj), -181.5033531437091, 4) > self.assertAlmostEqual(lib.fp(vk), -37.78854217974532, 4) E AssertionError: np.float64(-37.78848152811277) != -37.78854217974532 within 4 places (np.float64(6.0651632551866896e-05) difference) pyscf/df/test/test_df.py:109: AssertionError _______________________ KnownValues.test_nonorth_gga_dft _______________________ self = def test_nonorth_gga_dft(self): xc = 'pbe, pbe' e0, g0 = _fftdf_energy_grad(He_nonorth, xc) > e, g = _multigrid2_energy_grad(He_nonorth, xc, 0) pyscf/pbc/dft/test/test_multigrid2.py:217: _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ pyscf/pbc/dft/test/test_multigrid2.py:107: in _multigrid2_energy_grad g = rks_grad.Gradients(mf).kernel() pyscf/grad/rhf.py:409: in kernel de = self.grad_elec(mo_energy, mo_coeff, mo_occ, atmlst) pyscf/pbc/grad/rhf.py:65: in grad_elec de += pp_int.vpploc_part2_nuc_grad(mol, dm0) pyscf/pbc/gto/pseudo/pp_int.py:197: in vpploc_part2_nuc_grad buf = incore.int3c1e_nuc_grad(cell, fakecell, dm, intors[cn], pyscf/pbc/df/incore.py:616: in int3c1e_nuc_grad int3c = wrap_int3c1e_nuc_grad(cell, auxcell, dm, intor, aosym, comp, kptij_lst, **kwargs) pyscf/pbc/df/incore.py:672: in wrap_int3c1e_nuc_grad cintopt = _vhf.make_cintopt(atm, bas, env, intor) pyscf/gto/moleintor.py:838: in make_cintopt foptinit = getattr(libcgto, intor+'_optimizer') /usr/lib64/python3.14/ctypes/__init__.py:475: in __getattr__ func = self.__getitem__(name) _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ self = name_or_ordinal = 'int3c1e_ip1_r2_origk_optimizer' def __getitem__(self, name_or_ordinal): > func = self._FuncPtr((name_or_ordinal, self)) E AttributeError: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so: undefined symbol: int3c1e_ip1_r2_origk_optimizer. Did you mean: 'int3c1e_r2_origk_optimizer'? /usr/lib64/python3.14/ctypes/__init__.py:480: AttributeError ________________________ KnownValues.test_nonorth_j_dft ________________________ self = def test_nonorth_j_dft(self): xc = '' e0, g0 = _fftdf_energy_grad(He_nonorth, xc) > e, g = _multigrid2_energy_grad(He_nonorth, xc, 0) pyscf/pbc/dft/test/test_multigrid2.py:237: _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ pyscf/pbc/dft/test/test_multigrid2.py:107: in _multigrid2_energy_grad g = rks_grad.Gradients(mf).kernel() pyscf/grad/rhf.py:409: in kernel de = self.grad_elec(mo_energy, mo_coeff, mo_occ, atmlst) pyscf/pbc/grad/rhf.py:65: in grad_elec de += pp_int.vpploc_part2_nuc_grad(mol, dm0) pyscf/pbc/gto/pseudo/pp_int.py:197: in vpploc_part2_nuc_grad buf = incore.int3c1e_nuc_grad(cell, fakecell, dm, intors[cn], pyscf/pbc/df/incore.py:616: in int3c1e_nuc_grad int3c = wrap_int3c1e_nuc_grad(cell, auxcell, dm, intor, aosym, comp, kptij_lst, **kwargs) pyscf/pbc/df/incore.py:672: in wrap_int3c1e_nuc_grad cintopt = _vhf.make_cintopt(atm, bas, env, intor) pyscf/gto/moleintor.py:838: in make_cintopt foptinit = getattr(libcgto, intor+'_optimizer') /usr/lib64/python3.14/ctypes/__init__.py:475: in __getattr__ func = self.__getitem__(name) _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ self = name_or_ordinal = 'int3c1e_ip1_r2_origk_optimizer' def __getitem__(self, name_or_ordinal): > func = self._FuncPtr((name_or_ordinal, self)) E AttributeError: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so: undefined symbol: int3c1e_ip1_r2_origk_optimizer. Did you mean: 'int3c1e_r2_origk_optimizer'? /usr/lib64/python3.14/ctypes/__init__.py:480: AttributeError _______________________ KnownValues.test_nonorth_lda_dft _______________________ self = def test_nonorth_lda_dft(self): xc = 'lda, vwn' e0, g0 = _fftdf_energy_grad(He_nonorth, xc) > e, g = _multigrid2_energy_grad(He_nonorth, xc, 0) pyscf/pbc/dft/test/test_multigrid2.py:207: _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ pyscf/pbc/dft/test/test_multigrid2.py:107: in _multigrid2_energy_grad g = rks_grad.Gradients(mf).kernel() pyscf/grad/rhf.py:409: in kernel de = self.grad_elec(mo_energy, mo_coeff, mo_occ, atmlst) pyscf/pbc/grad/rhf.py:65: in grad_elec de += pp_int.vpploc_part2_nuc_grad(mol, dm0) pyscf/pbc/gto/pseudo/pp_int.py:197: in vpploc_part2_nuc_grad buf = incore.int3c1e_nuc_grad(cell, fakecell, dm, intors[cn], pyscf/pbc/df/incore.py:616: in int3c1e_nuc_grad int3c = wrap_int3c1e_nuc_grad(cell, auxcell, dm, intor, aosym, comp, kptij_lst, **kwargs) pyscf/pbc/df/incore.py:672: in wrap_int3c1e_nuc_grad cintopt = _vhf.make_cintopt(atm, bas, env, intor) pyscf/gto/moleintor.py:838: in make_cintopt foptinit = getattr(libcgto, intor+'_optimizer') /usr/lib64/python3.14/ctypes/__init__.py:475: in __getattr__ func = self.__getitem__(name) _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ self = name_or_ordinal = 'int3c1e_ip1_r2_origk_optimizer' def __getitem__(self, name_or_ordinal): > func = self._FuncPtr((name_or_ordinal, self)) E AttributeError: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so: undefined symbol: int3c1e_ip1_r2_origk_optimizer. Did you mean: 'int3c1e_r2_origk_optimizer'? /usr/lib64/python3.14/ctypes/__init__.py:480: AttributeError ________________________ KnownValues.test_orth_gga_dft _________________________ self = def test_orth_gga_dft(self): xc = 'pbe, pbe' e0, g0 = _fftdf_energy_grad(He_orth, xc) > e, g = _multigrid2_energy_grad(He_orth, xc, 0) pyscf/pbc/dft/test/test_multigrid2.py:197: _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ pyscf/pbc/dft/test/test_multigrid2.py:107: in _multigrid2_energy_grad g = rks_grad.Gradients(mf).kernel() pyscf/grad/rhf.py:409: in kernel de = self.grad_elec(mo_energy, mo_coeff, mo_occ, atmlst) pyscf/pbc/grad/rhf.py:65: in grad_elec de += pp_int.vpploc_part2_nuc_grad(mol, dm0) pyscf/pbc/gto/pseudo/pp_int.py:197: in vpploc_part2_nuc_grad buf = incore.int3c1e_nuc_grad(cell, fakecell, dm, intors[cn], pyscf/pbc/df/incore.py:616: in int3c1e_nuc_grad int3c = wrap_int3c1e_nuc_grad(cell, auxcell, dm, intor, aosym, comp, kptij_lst, **kwargs) pyscf/pbc/df/incore.py:672: in wrap_int3c1e_nuc_grad cintopt = _vhf.make_cintopt(atm, bas, env, intor) pyscf/gto/moleintor.py:838: in make_cintopt foptinit = getattr(libcgto, intor+'_optimizer') /usr/lib64/python3.14/ctypes/__init__.py:475: in __getattr__ func = self.__getitem__(name) _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ self = name_or_ordinal = 'int3c1e_ip1_r2_origk_optimizer' def __getitem__(self, name_or_ordinal): > func = self._FuncPtr((name_or_ordinal, self)) E AttributeError: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so: undefined symbol: int3c1e_ip1_r2_origk_optimizer. Did you mean: 'int3c1e_r2_origk_optimizer'? /usr/lib64/python3.14/ctypes/__init__.py:480: AttributeError _________________________ KnownValues.test_orth_j_dft __________________________ self = def test_orth_j_dft(self): xc = '' e0, g0 = _fftdf_energy_grad(He_orth, xc) > e, g = _multigrid2_energy_grad(He_orth, xc, 0) pyscf/pbc/dft/test/test_multigrid2.py:227: _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ pyscf/pbc/dft/test/test_multigrid2.py:107: in _multigrid2_energy_grad g = rks_grad.Gradients(mf).kernel() pyscf/grad/rhf.py:409: in kernel de = self.grad_elec(mo_energy, mo_coeff, mo_occ, atmlst) pyscf/pbc/grad/rhf.py:65: in grad_elec de += pp_int.vpploc_part2_nuc_grad(mol, dm0) pyscf/pbc/gto/pseudo/pp_int.py:197: in vpploc_part2_nuc_grad buf = incore.int3c1e_nuc_grad(cell, fakecell, dm, intors[cn], pyscf/pbc/df/incore.py:616: in int3c1e_nuc_grad int3c = wrap_int3c1e_nuc_grad(cell, auxcell, dm, intor, aosym, comp, kptij_lst, **kwargs) pyscf/pbc/df/incore.py:672: in wrap_int3c1e_nuc_grad cintopt = _vhf.make_cintopt(atm, bas, env, intor) pyscf/gto/moleintor.py:838: in make_cintopt foptinit = getattr(libcgto, intor+'_optimizer') /usr/lib64/python3.14/ctypes/__init__.py:475: in __getattr__ func = self.__getitem__(name) _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ self = name_or_ordinal = 'int3c1e_ip1_r2_origk_optimizer' def __getitem__(self, name_or_ordinal): > func = self._FuncPtr((name_or_ordinal, self)) E AttributeError: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so: undefined symbol: int3c1e_ip1_r2_origk_optimizer. Did you mean: 'int3c1e_r2_origk_optimizer'? /usr/lib64/python3.14/ctypes/__init__.py:480: AttributeError ________________________ KnownValues.test_orth_lda_dft _________________________ self = def test_orth_lda_dft(self): xc = 'lda, vwn' e0, g0 = _fftdf_energy_grad(He_orth, xc) > e, g = _multigrid2_energy_grad(He_orth, xc, 0) pyscf/pbc/dft/test/test_multigrid2.py:187: _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ pyscf/pbc/dft/test/test_multigrid2.py:107: in _multigrid2_energy_grad g = rks_grad.Gradients(mf).kernel() pyscf/grad/rhf.py:409: in kernel de = self.grad_elec(mo_energy, mo_coeff, mo_occ, atmlst) pyscf/pbc/grad/rhf.py:65: in grad_elec de += pp_int.vpploc_part2_nuc_grad(mol, dm0) pyscf/pbc/gto/pseudo/pp_int.py:197: in vpploc_part2_nuc_grad buf = incore.int3c1e_nuc_grad(cell, fakecell, dm, intors[cn], pyscf/pbc/df/incore.py:616: in int3c1e_nuc_grad int3c = wrap_int3c1e_nuc_grad(cell, auxcell, dm, intor, aosym, comp, kptij_lst, **kwargs) pyscf/pbc/df/incore.py:672: in wrap_int3c1e_nuc_grad cintopt = _vhf.make_cintopt(atm, bas, env, intor) pyscf/gto/moleintor.py:838: in make_cintopt foptinit = getattr(libcgto, intor+'_optimizer') /usr/lib64/python3.14/ctypes/__init__.py:475: in __getattr__ func = self.__getitem__(name) _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ self = name_or_ordinal = 'int3c1e_ip1_r2_origk_optimizer' def __getitem__(self, name_or_ordinal): > func = self._FuncPtr((name_or_ordinal, self)) E AttributeError: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so: undefined symbol: int3c1e_ip1_r2_origk_optimizer. Did you mean: 'int3c1e_r2_origk_optimizer'? /usr/lib64/python3.14/ctypes/__init__.py:480: AttributeError _________________________ KnowValues.test_pp_nuc_grad __________________________ self = def test_pp_nuc_grad(self): cell = pbcgto.Cell() cell.atom = 'H 0 0 0; Na 0 0 0.8' cell.a = np.diag([6,6,6]) cell.basis='gth-szv' cell.pseudo='gth-pade' cell.ke_cutoff=200 cell.build() cellp = cell.copy() cellp.atom = 'H 0 0 0; Na 0 0 0.8001' cellp.build() cellm = cell.copy() cellm.atom = 'H 0 0 0; Na 0 0 0.7999' cellm.build() np.random.seed(1) dm = np.random.rand(cell.nao, cell.nao) dm = (dm + dm.T) / 2 # local_part2 vp = pp_int.get_pp_loc_part2(cellp) vm = pp_int.get_pp_loc_part2(cellm) v_fd = (vp - vm) / (0.0002 / BOHR) > grad = pp_int.vpploc_part2_nuc_grad(cell, dm)[1,2] pyscf/pbc/gto/pseudo/test/test_pp.py:273: _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ pyscf/pbc/gto/pseudo/pp_int.py:197: in vpploc_part2_nuc_grad buf = incore.int3c1e_nuc_grad(cell, fakecell, dm, intors[cn], pyscf/pbc/df/incore.py:616: in int3c1e_nuc_grad int3c = wrap_int3c1e_nuc_grad(cell, auxcell, dm, intor, aosym, comp, kptij_lst, **kwargs) pyscf/pbc/df/incore.py:672: in wrap_int3c1e_nuc_grad cintopt = _vhf.make_cintopt(atm, bas, env, intor) pyscf/gto/moleintor.py:838: in make_cintopt foptinit = getattr(libcgto, intor+'_optimizer') /usr/lib64/python3.14/ctypes/__init__.py:475: in __getattr__ func = self.__getitem__(name) _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ self = name_or_ordinal = 'int3c1e_ip1_r2_origk_optimizer' def __getitem__(self, name_or_ordinal): > func = self._FuncPtr((name_or_ordinal, self)) E AttributeError: /builddir/build/BUILD/python-pyscf-2.11.0-build/pyscf-2.11.0/pyscf/lib/libcgto.so: undefined symbol: int3c1e_ip1_r2_origk_optimizer. Did you mean: 'int3c1e_r2_origk_optimizer'? /usr/lib64/python3.14/ctypes/__init__.py:480: AttributeError =============================== 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... FAILED pyscf/df/test/test_df.py::KnownValues::test_rsh_get_jk - AssertionErro... FAILED pyscf/pbc/dft/test/test_multigrid2.py::KnownValues::test_nonorth_gga_dft FAILED pyscf/pbc/dft/test/test_multigrid2.py::KnownValues::test_nonorth_j_dft FAILED pyscf/pbc/dft/test/test_multigrid2.py::KnownValues::test_nonorth_lda_dft FAILED pyscf/pbc/dft/test/test_multigrid2.py::KnownValues::test_orth_gga_dft FAILED pyscf/pbc/dft/test/test_multigrid2.py::KnownValues::test_orth_j_dft - ... FAILED pyscf/pbc/dft/test/test_multigrid2.py::KnownValues::test_orth_lda_dft FAILED pyscf/pbc/gto/pseudo/test/test_pp.py::KnowValues::test_pp_nuc_grad - A... = 9 failed, 2918 passed, 58 skipped, 251 deselected, 133249 warnings in 3910.49s (1:05:10) = There are 0 leftover temporary files RPM build errors: error: Bad exit status from /var/tmp/rpm-tmp.AkrTAJ (%check) Bad exit status from /var/tmp/rpm-tmp.AkrTAJ (%check) 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-41-x86_64-1761121290.339081/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-41-x86_64) 67 minutes 31 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 dde0201dac534169be5cb98ebf336b62 -D /var/lib/mock/fedora-41-x86_64-1761121290.339081/root -a -u mockbuild --capability=cap_ipc_lock --suppress-sync=yes --capability=cap_ipc_lock --bind=/tmp/mock-resolv.5gqjhhvs:/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 x86_64 --nodeps /builddir/build/originals/python-pyscf.spec' Copr build error: Build failed