2023-10-06T23:09:57,521 Created temporary directory: /tmp/pip-build-tracker-sial2jit 2023-10-06T23:09:57,522 Initialized build tracking at /tmp/pip-build-tracker-sial2jit 2023-10-06T23:09:57,523 Created build tracker: /tmp/pip-build-tracker-sial2jit 2023-10-06T23:09:57,523 Entered build tracker: /tmp/pip-build-tracker-sial2jit 2023-10-06T23:09:57,524 Created temporary directory: /tmp/pip-wheel-q7h63ym3 2023-10-06T23:09:57,527 Created temporary directory: /tmp/pip-ephem-wheel-cache-i25r4brk 2023-10-06T23:09:57,549 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2023-10-06T23:09:57,553 2 location(s) to search for versions of qmflows: 2023-10-06T23:09:57,553 * https://pypi.org/simple/qmflows/ 2023-10-06T23:09:57,553 * https://www.piwheels.org/simple/qmflows/ 2023-10-06T23:09:57,554 Fetching project page and analyzing links: https://pypi.org/simple/qmflows/ 2023-10-06T23:09:57,554 Getting page https://pypi.org/simple/qmflows/ 2023-10-06T23:09:57,556 Found index url https://pypi.org/simple/ 2023-10-06T23:09:57,770 Fetched page https://pypi.org/simple/qmflows/ as application/vnd.pypi.simple.v1+json 2023-10-06T23:09:57,775 Found link https://files.pythonhosted.org/packages/31/e1/369190ffc2d98f981cc5b68beb0fe78d96b25ac989a6381c2b17fffa370d/qmflows-0.2.1.tar.gz (from https://pypi.org/simple/qmflows/), version: 0.2.1 2023-10-06T23:09:57,775 Skipping link: No binaries permitted for qmflows: https://files.pythonhosted.org/packages/12/e1/19cfd19788d752f1769cf66044b5a5b1ec2776ff3dd61d11d9c94808c644/qmflows-0.11.0-py3-none-any.whl (from https://pypi.org/simple/qmflows/) (requires-python:>=3.6) 2023-10-06T23:09:57,776 Found link https://files.pythonhosted.org/packages/f5/ed/6e1995d102824c897a8ef4f491e388b762fd88d135ea1e9bccd63433b0de/qmflows-0.11.0.tar.gz (from https://pypi.org/simple/qmflows/) (requires-python:>=3.6), version: 0.11.0 2023-10-06T23:09:57,777 Skipping link: No binaries permitted for qmflows: https://files.pythonhosted.org/packages/59/52/e15a9bde9eecc3e8305f704feffb4ed0c57f32b542b4e15ebd4c95a8c7b6/qmflows-0.11.1-py3-none-any.whl (from https://pypi.org/simple/qmflows/) (requires-python:>=3.6) 2023-10-06T23:09:57,778 Found link https://files.pythonhosted.org/packages/c5/b7/ab16c4e85e58aa6ac67f3676e6ccf3013a0fd327ff3140f456545c299f0f/qmflows-0.11.1.tar.gz (from https://pypi.org/simple/qmflows/) (requires-python:>=3.6), version: 0.11.1 2023-10-06T23:09:57,779 Skipping link: No binaries permitted for qmflows: https://files.pythonhosted.org/packages/75/69/5885691bed9a94862c73f319a2db55cd5184746838c305b62c0e88a30b38/qmflows-0.11.2-py3-none-any.whl (from https://pypi.org/simple/qmflows/) (requires-python:>=3.6) 2023-10-06T23:09:57,780 Found link https://files.pythonhosted.org/packages/58/30/3cb345283805aa0787252a8415c2627494a7f4c24a97701e33e16878c0fb/qmflows-0.11.2.tar.gz (from https://pypi.org/simple/qmflows/) (requires-python:>=3.6), version: 0.11.2 2023-10-06T23:09:57,780 Skipping link: No binaries permitted for qmflows: https://files.pythonhosted.org/packages/fc/d7/1c1019b25bd4ecc0d9236608b5512ea9bdf9a0db8aa5c6cb9de65ea47378/qmflows-0.12.0-py3-none-any.whl (from https://pypi.org/simple/qmflows/) (requires-python:>=3.6) 2023-10-06T23:09:57,781 Found link https://files.pythonhosted.org/packages/15/65/ff4c56f7d3d98f3b047819ba573cb9b6594e394530ae0e35674616f73ca8/qmflows-0.12.0.tar.gz (from https://pypi.org/simple/qmflows/) (requires-python:>=3.6), version: 0.12.0 2023-10-06T23:09:57,782 Skipping link: No binaries permitted for qmflows: https://files.pythonhosted.org/packages/96/cd/eb69b0baa3b2892f234864694e9b7d4e632d2e6ee53a4f9082d7be168ca2/qmflows-0.12.1-py3-none-any.whl (from https://pypi.org/simple/qmflows/) (requires-python:>=3.6) 2023-10-06T23:09:57,783 Found link https://files.pythonhosted.org/packages/12/bc/cc46d0e6ea611f08d1562ab2048a1256e159a3e9e747182497d7e07db23c/qmflows-0.12.1.tar.gz (from https://pypi.org/simple/qmflows/) (requires-python:>=3.6), version: 0.12.1 2023-10-06T23:09:57,784 Skipping link: No binaries permitted for qmflows: https://files.pythonhosted.org/packages/06/f1/d55581aa693a64291c08bae29d5184d748f7f1699aec15e288c621d1adab/qmflows-0.13.0-py3-none-any.whl (from https://pypi.org/simple/qmflows/) (requires-python:>=3.6) 2023-10-06T23:09:57,785 Found link https://files.pythonhosted.org/packages/1e/c5/dd99fa8c5cf2f6fcd7c609eed9e564eb407c2d8a3700751367e3af89a047/qmflows-0.13.0.tar.gz (from https://pypi.org/simple/qmflows/) (requires-python:>=3.6), version: 0.13.0 2023-10-06T23:09:57,785 Skipping link: No binaries permitted for qmflows: https://files.pythonhosted.org/packages/ee/d1/5dc81484c06e1f5fe48e978f4b16f55fbee66cf63d75106c9bfc70ea1536/qmflows-1.0.0b1-py3-none-any.whl (from https://pypi.org/simple/qmflows/) (requires-python:>=3.8) 2023-10-06T23:09:57,786 Found link https://files.pythonhosted.org/packages/f1/53/b0714089b6981f0f556043a0814c947c51fafd07ee5878336e9368f4472a/qmflows-1.0.0b1.tar.gz (from https://pypi.org/simple/qmflows/) (requires-python:>=3.8), version: 1.0.0b1 2023-10-06T23:09:57,787 Skipping link: No binaries permitted for qmflows: https://files.pythonhosted.org/packages/2b/1b/81de3fe9f816c48bae9c0e95d58d8fb36ee298a245c5e5ae3ed672820c7c/qmflows-1.0.0-py3-none-any.whl (from https://pypi.org/simple/qmflows/) (requires-python:>=3.8) 2023-10-06T23:09:57,787 Found link https://files.pythonhosted.org/packages/91/2d/fa46e0991258d0bb11b069d85949d679a92b8729f5518ce6fe9deb9495a1/qmflows-1.0.0.tar.gz (from https://pypi.org/simple/qmflows/) (requires-python:>=3.8), version: 1.0.0 2023-10-06T23:09:57,788 Fetching project page and analyzing links: https://www.piwheels.org/simple/qmflows/ 2023-10-06T23:09:57,789 Getting page https://www.piwheels.org/simple/qmflows/ 2023-10-06T23:09:57,790 Found index url https://www.piwheels.org/simple/ 2023-10-06T23:09:57,959 Fetched page https://www.piwheels.org/simple/qmflows/ as text/html 2023-10-06T23:09:57,963 Skipping link: No binaries permitted for qmflows: https://www.piwheels.org/simple/qmflows/qmflows-1.0.0b1-py3-none-any.whl#sha256=2249654c7a5cad5632d988ed76f309a49db3e58ca6e74c079bebf5af0e483573 (from https://www.piwheels.org/simple/qmflows/) (requires-python:>=3.8) 2023-10-06T23:09:57,963 Skipping link: No binaries permitted for qmflows: https://www.piwheels.org/simple/qmflows/qmflows-0.13.0-py3-none-any.whl#sha256=d19fad8e73d6f82f08e63838d814864c27cd6703a642e5a895e4f2ec32e0b75c (from https://www.piwheels.org/simple/qmflows/) (requires-python:>=3.6) 2023-10-06T23:09:57,964 Skipping link: No binaries permitted for qmflows: https://www.piwheels.org/simple/qmflows/qmflows-0.12.1-py3-none-any.whl#sha256=4a926ec598b495cadec5428bdca78f097c8165c8fea375f8aad8a1f40ae646ad (from https://www.piwheels.org/simple/qmflows/) (requires-python:>=3.6) 2023-10-06T23:09:57,964 Skipping link: No binaries permitted for qmflows: https://www.piwheels.org/simple/qmflows/qmflows-0.12.0-py3-none-any.whl#sha256=ce188115d0356914cd6b15ef727f0bbee829ca887fd568f9c9edb57b4fdfe23b (from https://www.piwheels.org/simple/qmflows/) (requires-python:>=3.6) 2023-10-06T23:09:57,965 Skipping link: No binaries permitted for qmflows: https://www.piwheels.org/simple/qmflows/qmflows-0.11.2-py3-none-any.whl#sha256=1485ab77d33c5d523b674926eada0290af5434672eb55e881fef426df62beebb (from https://www.piwheels.org/simple/qmflows/) (requires-python:>=3.6) 2023-10-06T23:09:57,965 Skipping link: No binaries permitted for qmflows: https://www.piwheels.org/simple/qmflows/qmflows-0.11.1-py3-none-any.whl#sha256=3ea77f338cd7fa4e268a053e067909b80eb10116c4653459655046203b5714b9 (from https://www.piwheels.org/simple/qmflows/) (requires-python:>=3.6) 2023-10-06T23:09:57,966 Skipping link: No binaries permitted for qmflows: https://www.piwheels.org/simple/qmflows/qmflows-0.11.0-py3-none-any.whl#sha256=1b6ff5c0b01989343a29d565a6947dd76fb8d61a8198db666fd8297227e9ccc2 (from https://www.piwheels.org/simple/qmflows/) (requires-python:>=3.6) 2023-10-06T23:09:57,966 Skipping link: No binaries permitted for qmflows: https://www.piwheels.org/simple/qmflows/qmflows-0.2.1-py3-none-any.whl#sha256=e06cdc0b0e613de90ff62c4d268caadf6a45956b233bdf6a43c9de8d986f1c9d (from https://www.piwheels.org/simple/qmflows/) 2023-10-06T23:09:57,967 Skipping link: not a file: https://www.piwheels.org/simple/qmflows/ 2023-10-06T23:09:57,968 Skipping link: not a file: https://pypi.org/simple/qmflows/ 2023-10-06T23:09:57,989 Given no hashes to check 1 links for project 'qmflows': discarding no candidates 2023-10-06T23:09:58,009 Collecting qmflows==1.0.0 2023-10-06T23:09:58,011 Created temporary directory: /tmp/pip-unpack-3l7psalc 2023-10-06T23:09:58,262 Downloading qmflows-1.0.0.tar.gz (77 kB) 2023-10-06T23:09:58,474 Added qmflows==1.0.0 from https://files.pythonhosted.org/packages/91/2d/fa46e0991258d0bb11b069d85949d679a92b8729f5518ce6fe9deb9495a1/qmflows-1.0.0.tar.gz to build tracker '/tmp/pip-build-tracker-sial2jit' 2023-10-06T23:09:58,483 Created temporary directory: /tmp/pip-build-env-hoabh9v2 2023-10-06T23:09:58,487 Installing build dependencies: started 2023-10-06T23:09:58,488 Running command pip subprocess to install build dependencies 2023-10-06T23:09:59,633 Using pip 23.2.1 from /home/piwheels/.local/lib/python3.11/site-packages/pip (python 3.11) 2023-10-06T23:10:00,161 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2023-10-06T23:10:01,725 Collecting setuptools>=61.0 2023-10-06T23:10:01,798 Using cached https://www.piwheels.org/simple/setuptools/setuptools-68.2.2-py3-none-any.whl (807 kB) 2023-10-06T23:10:02,039 Collecting wheel>=0.21 2023-10-06T23:10:02,054 Using cached https://www.piwheels.org/simple/wheel/wheel-0.41.2-py3-none-any.whl (64 kB) 2023-10-06T23:10:02,349 Collecting setuptools_scm[toml]>=6.2 2023-10-06T23:10:02,363 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-8.0.4-py3-none-any.whl (42 kB) 2023-10-06T23:10:02,714 Collecting packaging>=20 (from setuptools_scm[toml]>=6.2) 2023-10-06T23:10:02,729 Using cached https://www.piwheels.org/simple/packaging/packaging-23.2-py3-none-any.whl (53 kB) 2023-10-06T23:10:02,844 Collecting typing-extensions (from setuptools_scm[toml]>=6.2) 2023-10-06T23:10:02,858 Using cached https://www.piwheels.org/simple/typing-extensions/typing_extensions-4.8.0-py3-none-any.whl (31 kB) 2023-10-06T23:10:06,002 Installing collected packages: wheel, typing-extensions, setuptools, packaging, setuptools_scm 2023-10-06T23:10:06,225 Creating /tmp/pip-build-env-hoabh9v2/overlay/local/bin 2023-10-06T23:10:06,229 changing mode of /tmp/pip-build-env-hoabh9v2/overlay/local/bin/wheel to 755 2023-10-06T23:10:09,798 Successfully installed packaging-23.2 setuptools-68.2.2 setuptools_scm-8.0.4 typing-extensions-4.8.0 wheel-0.41.2 2023-10-06T23:10:10,317 Installing build dependencies: finished with status 'done' 2023-10-06T23:10:10,320 Getting requirements to build wheel: started 2023-10-06T23:10:10,321 Running command Getting requirements to build wheel 2023-10-06T23:10:11,506 running egg_info 2023-10-06T23:10:11,511 writing src/qmflows.egg-info/PKG-INFO 2023-10-06T23:10:11,522 writing dependency_links to src/qmflows.egg-info/dependency_links.txt 2023-10-06T23:10:11,528 writing requirements to src/qmflows.egg-info/requires.txt 2023-10-06T23:10:11,529 writing top-level names to src/qmflows.egg-info/top_level.txt 2023-10-06T23:10:11,572 ERROR setuptools_scm._file_finders.git listing git files failed - pretending there aren't any 2023-10-06T23:10:11,576 reading manifest file 'src/qmflows.egg-info/SOURCES.txt' 2023-10-06T23:10:11,581 reading manifest template 'MANIFEST.in' 2023-10-06T23:10:11,582 warning: no previously-included files found matching 'test/**' 2023-10-06T23:10:11,583 warning: no previously-included files found matching 'docs/**' 2023-10-06T23:10:11,583 warning: no previously-included files found matching 'jupyterNotebooks/**' 2023-10-06T23:10:11,584 warning: no previously-included files found matching 'scripts/**' 2023-10-06T23:10:11,585 warning: no previously-included files found matching 'qmflows.png' 2023-10-06T23:10:11,586 adding license file 'LICENSE.md' 2023-10-06T23:10:11,591 writing manifest file 'src/qmflows.egg-info/SOURCES.txt' 2023-10-06T23:10:11,719 Getting requirements to build wheel: finished with status 'done' 2023-10-06T23:10:11,733 Created temporary directory: /tmp/pip-modern-metadata-yjz3tsvx 2023-10-06T23:10:11,736 Preparing metadata (pyproject.toml): started 2023-10-06T23:10:11,737 Running command Preparing metadata (pyproject.toml) 2023-10-06T23:10:12,587 running dist_info 2023-10-06T23:10:12,593 creating /tmp/pip-modern-metadata-yjz3tsvx/qmflows.egg-info 2023-10-06T23:10:12,598 writing /tmp/pip-modern-metadata-yjz3tsvx/qmflows.egg-info/PKG-INFO 2023-10-06T23:10:12,609 writing dependency_links to /tmp/pip-modern-metadata-yjz3tsvx/qmflows.egg-info/dependency_links.txt 2023-10-06T23:10:12,615 writing requirements to /tmp/pip-modern-metadata-yjz3tsvx/qmflows.egg-info/requires.txt 2023-10-06T23:10:12,616 writing top-level names to /tmp/pip-modern-metadata-yjz3tsvx/qmflows.egg-info/top_level.txt 2023-10-06T23:10:12,617 writing manifest file '/tmp/pip-modern-metadata-yjz3tsvx/qmflows.egg-info/SOURCES.txt' 2023-10-06T23:10:12,657 ERROR setuptools_scm._file_finders.git listing git files failed - pretending there aren't any 2023-10-06T23:10:12,660 reading manifest file '/tmp/pip-modern-metadata-yjz3tsvx/qmflows.egg-info/SOURCES.txt' 2023-10-06T23:10:12,662 reading manifest template 'MANIFEST.in' 2023-10-06T23:10:12,663 warning: no previously-included files found matching 'test/**' 2023-10-06T23:10:12,663 warning: no previously-included files found matching 'docs/**' 2023-10-06T23:10:12,664 warning: no previously-included files found matching 'jupyterNotebooks/**' 2023-10-06T23:10:12,664 warning: no previously-included files found matching 'scripts/**' 2023-10-06T23:10:12,665 warning: no previously-included files found matching 'qmflows.png' 2023-10-06T23:10:12,666 adding license file 'LICENSE.md' 2023-10-06T23:10:12,669 writing manifest file '/tmp/pip-modern-metadata-yjz3tsvx/qmflows.egg-info/SOURCES.txt' 2023-10-06T23:10:12,670 creating '/tmp/pip-modern-metadata-yjz3tsvx/qmflows-1.0.0.dist-info' 2023-10-06T23:10:12,846 Preparing metadata (pyproject.toml): finished with status 'done' 2023-10-06T23:10:12,852 Source in /tmp/pip-wheel-q7h63ym3/qmflows_1b5cafe1fc82409a850421510c41999d has version 1.0.0, which satisfies requirement qmflows==1.0.0 from https://files.pythonhosted.org/packages/91/2d/fa46e0991258d0bb11b069d85949d679a92b8729f5518ce6fe9deb9495a1/qmflows-1.0.0.tar.gz 2023-10-06T23:10:12,853 Removed qmflows==1.0.0 from https://files.pythonhosted.org/packages/91/2d/fa46e0991258d0bb11b069d85949d679a92b8729f5518ce6fe9deb9495a1/qmflows-1.0.0.tar.gz from build tracker '/tmp/pip-build-tracker-sial2jit' 2023-10-06T23:10:12,862 Created temporary directory: /tmp/pip-unpack-0z5w0wr4 2023-10-06T23:10:12,863 Created temporary directory: /tmp/pip-unpack-1ncnfgne 2023-10-06T23:10:12,936 Building wheels for collected packages: qmflows 2023-10-06T23:10:12,949 Created temporary directory: /tmp/pip-wheel-yri2m_ce 2023-10-06T23:10:12,950 Destination directory: /tmp/pip-wheel-yri2m_ce 2023-10-06T23:10:12,952 Building wheel for qmflows (pyproject.toml): started 2023-10-06T23:10:12,954 Running command Building wheel for qmflows (pyproject.toml) 2023-10-06T23:10:13,865 running bdist_wheel 2023-10-06T23:10:13,890 running build 2023-10-06T23:10:13,890 running build_py 2023-10-06T23:10:13,897 creating build 2023-10-06T23:10:13,898 creating build/lib 2023-10-06T23:10:13,899 creating build/lib/qmflows 2023-10-06T23:10:13,900 copying src/qmflows/__init__.py -> build/lib/qmflows 2023-10-06T23:10:13,903 copying src/qmflows/test_utils.py -> build/lib/qmflows 2023-10-06T23:10:13,906 copying src/qmflows/common.py -> build/lib/qmflows 2023-10-06T23:10:13,909 copying src/qmflows/utils.py -> build/lib/qmflows 2023-10-06T23:10:13,913 copying src/qmflows/yaml_utils.py -> build/lib/qmflows 2023-10-06T23:10:13,916 copying src/qmflows/fileFunctions.py -> build/lib/qmflows 2023-10-06T23:10:13,918 copying src/qmflows/cp2k_utils.py -> build/lib/qmflows 2023-10-06T23:10:13,921 copying src/qmflows/_version.py -> build/lib/qmflows 2023-10-06T23:10:13,923 copying src/qmflows/_logger.py -> build/lib/qmflows 2023-10-06T23:10:13,925 copying src/qmflows/warnings_qmflows.py -> build/lib/qmflows 2023-10-06T23:10:13,927 copying src/qmflows/_init_utils.py -> build/lib/qmflows 2023-10-06T23:10:13,929 copying src/qmflows/type_hints.py -> build/lib/qmflows 2023-10-06T23:10:13,931 copying src/qmflows/_settings.py -> build/lib/qmflows 2023-10-06T23:10:13,934 creating build/lib/qmflows/data 2023-10-06T23:10:13,935 copying src/qmflows/data/__init__.py -> build/lib/qmflows/data 2023-10-06T23:10:13,937 creating build/lib/qmflows/packages 2023-10-06T23:10:13,938 copying src/qmflows/packages/__init__.py -> build/lib/qmflows/packages 2023-10-06T23:10:13,940 copying src/qmflows/packages/_scm.py -> build/lib/qmflows/packages 2023-10-06T23:10:13,943 copying src/qmflows/packages/_serializer.py -> build/lib/qmflows/packages 2023-10-06T23:10:13,945 copying src/qmflows/packages/_orca.py -> build/lib/qmflows/packages 2023-10-06T23:10:13,947 copying src/qmflows/packages/_packages.py -> build/lib/qmflows/packages 2023-10-06T23:10:13,950 copying src/qmflows/packages/_cp2k.py -> build/lib/qmflows/packages 2023-10-06T23:10:13,952 copying src/qmflows/packages/_cp2k_mm.py -> build/lib/qmflows/packages 2023-10-06T23:10:13,954 copying src/qmflows/packages/_package_wrapper.py -> build/lib/qmflows/packages 2023-10-06T23:10:13,957 creating build/lib/qmflows/templates 2023-10-06T23:10:13,962 copying src/qmflows/templates/__init__.py -> build/lib/qmflows/templates 2023-10-06T23:10:13,971 copying src/qmflows/templates/_templates.py -> build/lib/qmflows/templates 2023-10-06T23:10:13,975 creating build/lib/qmflows/parsers 2023-10-06T23:10:13,976 copying src/qmflows/parsers/__init__.py -> build/lib/qmflows/parsers 2023-10-06T23:10:13,979 copying src/qmflows/parsers/cp2k.py -> build/lib/qmflows/parsers 2023-10-06T23:10:13,981 copying src/qmflows/parsers/_xyz.py -> build/lib/qmflows/parsers 2023-10-06T23:10:13,984 copying src/qmflows/parsers/utils.py -> build/lib/qmflows/parsers 2023-10-06T23:10:13,986 copying src/qmflows/parsers/_cp2k_orbital_parser.py -> build/lib/qmflows/parsers 2023-10-06T23:10:13,990 copying src/qmflows/parsers/adf.py -> build/lib/qmflows/parsers 2023-10-06T23:10:13,995 copying src/qmflows/parsers/_cp2k_basis_parser.py -> build/lib/qmflows/parsers 2023-10-06T23:10:13,997 copying src/qmflows/parsers/_generic.py -> build/lib/qmflows/parsers 2023-10-06T23:10:13,999 copying src/qmflows/parsers/orca.py -> build/lib/qmflows/parsers 2023-10-06T23:10:14,002 creating build/lib/qmflows/examples 2023-10-06T23:10:14,003 copying src/qmflows/examples/__init__.py -> build/lib/qmflows/examples 2023-10-06T23:10:14,005 creating build/lib/qmflows/components 2023-10-06T23:10:14,006 copying src/qmflows/components/__init__.py -> build/lib/qmflows/components 2023-10-06T23:10:14,008 copying src/qmflows/components/operations.py -> build/lib/qmflows/components 2023-10-06T23:10:14,010 copying src/qmflows/components/reactivity.py -> build/lib/qmflows/components 2023-10-06T23:10:14,012 creating build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,013 copying src/qmflows/data/dictionaries/__init__.py -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,016 creating build/lib/qmflows/examples/Conditional_workflows 2023-10-06T23:10:14,017 copying src/qmflows/examples/Conditional_workflows/__init__.py -> build/lib/qmflows/examples/Conditional_workflows 2023-10-06T23:10:14,019 copying src/qmflows/examples/Conditional_workflows/calc_freqs.py -> build/lib/qmflows/examples/Conditional_workflows 2023-10-06T23:10:14,021 creating build/lib/qmflows/examples/Constrained_and_TS_optimizations 2023-10-06T23:10:14,022 copying src/qmflows/examples/Constrained_and_TS_optimizations/__init__.py -> build/lib/qmflows/examples/Constrained_and_TS_optimizations 2023-10-06T23:10:14,024 copying src/qmflows/examples/Constrained_and_TS_optimizations/H2O2_TS.py -> build/lib/qmflows/examples/Constrained_and_TS_optimizations 2023-10-06T23:10:14,026 copying src/qmflows/examples/Constrained_and_TS_optimizations/partial_geometry_opt.py -> build/lib/qmflows/examples/Constrained_and_TS_optimizations 2023-10-06T23:10:14,028 copying src/qmflows/examples/Constrained_and_TS_optimizations/generic_constraints.py -> build/lib/qmflows/examples/Constrained_and_TS_optimizations 2023-10-06T23:10:14,030 running egg_info 2023-10-06T23:10:14,035 writing src/qmflows.egg-info/PKG-INFO 2023-10-06T23:10:14,046 writing dependency_links to src/qmflows.egg-info/dependency_links.txt 2023-10-06T23:10:14,051 writing requirements to src/qmflows.egg-info/requires.txt 2023-10-06T23:10:14,052 writing top-level names to src/qmflows.egg-info/top_level.txt 2023-10-06T23:10:14,083 ERROR setuptools_scm._file_finders.git listing git files failed - pretending there aren't any 2023-10-06T23:10:14,086 reading manifest file 'src/qmflows.egg-info/SOURCES.txt' 2023-10-06T23:10:14,089 reading manifest template 'MANIFEST.in' 2023-10-06T23:10:14,090 warning: no previously-included files found matching 'test/**' 2023-10-06T23:10:14,091 warning: no previously-included files found matching 'docs/**' 2023-10-06T23:10:14,091 warning: no previously-included files found matching 'jupyterNotebooks/**' 2023-10-06T23:10:14,092 warning: no previously-included files found matching 'scripts/**' 2023-10-06T23:10:14,093 warning: no previously-included files found matching 'qmflows.png' 2023-10-06T23:10:14,094 adding license file 'LICENSE.md' 2023-10-06T23:10:14,098 writing manifest file 'src/qmflows.egg-info/SOURCES.txt' 2023-10-06T23:10:14,102 copying src/qmflows/py.typed -> build/lib/qmflows 2023-10-06T23:10:14,105 copying src/qmflows/data/dictionaries/generic2ADF.yaml -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,107 copying src/qmflows/data/dictionaries/generic2CP2K.yaml -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,109 copying src/qmflows/data/dictionaries/generic2CP2KMM.yaml -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,111 copying src/qmflows/data/dictionaries/generic2DFTB.yaml -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,113 copying src/qmflows/data/dictionaries/generic2ORCA.yaml -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,115 copying src/qmflows/data/dictionaries/generic2PackageWrapper.yaml -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,118 copying src/qmflows/data/dictionaries/propertiesADF.yaml -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,120 copying src/qmflows/data/dictionaries/propertiesCP2K.yaml -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,122 copying src/qmflows/data/dictionaries/propertiesCP2KMM.yaml -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,124 copying src/qmflows/data/dictionaries/propertiesDFTB.yaml -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,126 copying src/qmflows/data/dictionaries/propertiesORCA.yaml -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,128 copying src/qmflows/data/dictionaries/propertiesPackageWrapper.yaml -> build/lib/qmflows/data/dictionaries 2023-10-06T23:10:14,144 installing to build/bdist.linux-armv7l/wheel 2023-10-06T23:10:14,144 running install 2023-10-06T23:10:14,167 running install_lib 2023-10-06T23:10:14,173 creating build/bdist.linux-armv7l 2023-10-06T23:10:14,174 creating build/bdist.linux-armv7l/wheel 2023-10-06T23:10:14,176 creating build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,177 creating build/bdist.linux-armv7l/wheel/qmflows/data 2023-10-06T23:10:14,179 copying build/lib/qmflows/data/__init__.py -> build/bdist.linux-armv7l/wheel/qmflows/data 2023-10-06T23:10:14,181 creating build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,182 copying build/lib/qmflows/data/dictionaries/__init__.py -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,185 copying build/lib/qmflows/data/dictionaries/propertiesORCA.yaml -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,187 copying build/lib/qmflows/data/dictionaries/propertiesDFTB.yaml -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,189 copying build/lib/qmflows/data/dictionaries/generic2PackageWrapper.yaml -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,190 copying build/lib/qmflows/data/dictionaries/generic2DFTB.yaml -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,192 copying build/lib/qmflows/data/dictionaries/generic2ADF.yaml -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,194 copying build/lib/qmflows/data/dictionaries/generic2ORCA.yaml -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,196 copying build/lib/qmflows/data/dictionaries/propertiesADF.yaml -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,198 copying build/lib/qmflows/data/dictionaries/propertiesCP2KMM.yaml -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,199 copying build/lib/qmflows/data/dictionaries/generic2CP2K.yaml -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,201 copying build/lib/qmflows/data/dictionaries/propertiesPackageWrapper.yaml -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,203 copying build/lib/qmflows/data/dictionaries/generic2CP2KMM.yaml -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,205 copying build/lib/qmflows/data/dictionaries/propertiesCP2K.yaml -> build/bdist.linux-armv7l/wheel/qmflows/data/dictionaries 2023-10-06T23:10:14,207 creating build/bdist.linux-armv7l/wheel/qmflows/packages 2023-10-06T23:10:14,208 copying build/lib/qmflows/packages/__init__.py -> build/bdist.linux-armv7l/wheel/qmflows/packages 2023-10-06T23:10:14,210 copying build/lib/qmflows/packages/_scm.py -> build/bdist.linux-armv7l/wheel/qmflows/packages 2023-10-06T23:10:14,212 copying build/lib/qmflows/packages/_serializer.py -> build/bdist.linux-armv7l/wheel/qmflows/packages 2023-10-06T23:10:14,215 copying build/lib/qmflows/packages/_orca.py -> build/bdist.linux-armv7l/wheel/qmflows/packages 2023-10-06T23:10:14,217 copying build/lib/qmflows/packages/_packages.py -> build/bdist.linux-armv7l/wheel/qmflows/packages 2023-10-06T23:10:14,220 copying build/lib/qmflows/packages/_cp2k.py -> build/bdist.linux-armv7l/wheel/qmflows/packages 2023-10-06T23:10:14,222 copying build/lib/qmflows/packages/_cp2k_mm.py -> build/bdist.linux-armv7l/wheel/qmflows/packages 2023-10-06T23:10:14,224 copying build/lib/qmflows/packages/_package_wrapper.py -> build/bdist.linux-armv7l/wheel/qmflows/packages 2023-10-06T23:10:14,227 copying build/lib/qmflows/__init__.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,229 creating build/bdist.linux-armv7l/wheel/qmflows/templates 2023-10-06T23:10:14,230 copying build/lib/qmflows/templates/__init__.py -> build/bdist.linux-armv7l/wheel/qmflows/templates 2023-10-06T23:10:14,232 copying build/lib/qmflows/templates/_templates.py -> build/bdist.linux-armv7l/wheel/qmflows/templates 2023-10-06T23:10:14,234 copying build/lib/qmflows/test_utils.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,237 copying build/lib/qmflows/common.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,776 copying build/lib/qmflows/py.typed -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,779 copying build/lib/qmflows/utils.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,783 copying build/lib/qmflows/yaml_utils.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,786 copying build/lib/qmflows/fileFunctions.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,789 copying build/lib/qmflows/cp2k_utils.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,794 copying build/lib/qmflows/_version.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,797 copying build/lib/qmflows/_logger.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,802 creating build/bdist.linux-armv7l/wheel/qmflows/parsers 2023-10-06T23:10:14,804 copying build/lib/qmflows/parsers/__init__.py -> build/bdist.linux-armv7l/wheel/qmflows/parsers 2023-10-06T23:10:14,808 copying build/lib/qmflows/parsers/cp2k.py -> build/bdist.linux-armv7l/wheel/qmflows/parsers 2023-10-06T23:10:14,812 copying build/lib/qmflows/parsers/_xyz.py -> build/bdist.linux-armv7l/wheel/qmflows/parsers 2023-10-06T23:10:14,816 copying build/lib/qmflows/parsers/utils.py -> build/bdist.linux-armv7l/wheel/qmflows/parsers 2023-10-06T23:10:14,820 copying build/lib/qmflows/parsers/_cp2k_orbital_parser.py -> build/bdist.linux-armv7l/wheel/qmflows/parsers 2023-10-06T23:10:14,824 copying build/lib/qmflows/parsers/adf.py -> build/bdist.linux-armv7l/wheel/qmflows/parsers 2023-10-06T23:10:14,828 copying build/lib/qmflows/parsers/_cp2k_basis_parser.py -> build/bdist.linux-armv7l/wheel/qmflows/parsers 2023-10-06T23:10:14,836 copying build/lib/qmflows/parsers/_generic.py -> build/bdist.linux-armv7l/wheel/qmflows/parsers 2023-10-06T23:10:14,840 copying build/lib/qmflows/parsers/orca.py -> build/bdist.linux-armv7l/wheel/qmflows/parsers 2023-10-06T23:10:14,844 copying build/lib/qmflows/warnings_qmflows.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,847 copying build/lib/qmflows/_init_utils.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,850 creating build/bdist.linux-armv7l/wheel/qmflows/examples 2023-10-06T23:10:14,852 copying build/lib/qmflows/examples/__init__.py -> build/bdist.linux-armv7l/wheel/qmflows/examples 2023-10-06T23:10:14,856 creating build/bdist.linux-armv7l/wheel/qmflows/examples/Conditional_workflows 2023-10-06T23:10:14,857 copying build/lib/qmflows/examples/Conditional_workflows/__init__.py -> build/bdist.linux-armv7l/wheel/qmflows/examples/Conditional_workflows 2023-10-06T23:10:14,860 copying build/lib/qmflows/examples/Conditional_workflows/calc_freqs.py -> build/bdist.linux-armv7l/wheel/qmflows/examples/Conditional_workflows 2023-10-06T23:10:14,863 creating build/bdist.linux-armv7l/wheel/qmflows/examples/Constrained_and_TS_optimizations 2023-10-06T23:10:14,865 copying build/lib/qmflows/examples/Constrained_and_TS_optimizations/__init__.py -> build/bdist.linux-armv7l/wheel/qmflows/examples/Constrained_and_TS_optimizations 2023-10-06T23:10:14,867 copying build/lib/qmflows/examples/Constrained_and_TS_optimizations/H2O2_TS.py -> build/bdist.linux-armv7l/wheel/qmflows/examples/Constrained_and_TS_optimizations 2023-10-06T23:10:14,869 copying build/lib/qmflows/examples/Constrained_and_TS_optimizations/partial_geometry_opt.py -> build/bdist.linux-armv7l/wheel/qmflows/examples/Constrained_and_TS_optimizations 2023-10-06T23:10:14,872 copying build/lib/qmflows/examples/Constrained_and_TS_optimizations/generic_constraints.py -> build/bdist.linux-armv7l/wheel/qmflows/examples/Constrained_and_TS_optimizations 2023-10-06T23:10:14,875 creating build/bdist.linux-armv7l/wheel/qmflows/components 2023-10-06T23:10:14,876 copying build/lib/qmflows/components/__init__.py -> build/bdist.linux-armv7l/wheel/qmflows/components 2023-10-06T23:10:14,878 copying build/lib/qmflows/components/operations.py -> build/bdist.linux-armv7l/wheel/qmflows/components 2023-10-06T23:10:14,881 copying build/lib/qmflows/components/reactivity.py -> build/bdist.linux-armv7l/wheel/qmflows/components 2023-10-06T23:10:14,883 copying build/lib/qmflows/type_hints.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,885 copying build/lib/qmflows/_settings.py -> build/bdist.linux-armv7l/wheel/qmflows 2023-10-06T23:10:14,888 running install_egg_info 2023-10-06T23:10:14,895 Copying src/qmflows.egg-info to build/bdist.linux-armv7l/wheel/qmflows-1.0.0-py3.11.egg-info 2023-10-06T23:10:14,908 running install_scripts 2023-10-06T23:10:14,939 creating build/bdist.linux-armv7l/wheel/qmflows-1.0.0.dist-info/WHEEL 2023-10-06T23:10:14,942 creating '/tmp/pip-wheel-yri2m_ce/.tmp-zw_x1eap/qmflows-1.0.0-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2023-10-06T23:10:14,946 adding 'qmflows/__init__.py' 2023-10-06T23:10:14,948 adding 'qmflows/_init_utils.py' 2023-10-06T23:10:14,949 adding 'qmflows/_logger.py' 2023-10-06T23:10:14,952 adding 'qmflows/_settings.py' 2023-10-06T23:10:14,953 adding 'qmflows/_version.py' 2023-10-06T23:10:14,956 adding 'qmflows/common.py' 2023-10-06T23:10:14,960 adding 'qmflows/cp2k_utils.py' 2023-10-06T23:10:14,962 adding 'qmflows/fileFunctions.py' 2023-10-06T23:10:14,963 adding 'qmflows/py.typed' 2023-10-06T23:10:14,965 adding 'qmflows/test_utils.py' 2023-10-06T23:10:14,966 adding 'qmflows/type_hints.py' 2023-10-06T23:10:14,968 adding 'qmflows/utils.py' 2023-10-06T23:10:14,969 adding 'qmflows/warnings_qmflows.py' 2023-10-06T23:10:14,971 adding 'qmflows/yaml_utils.py' 2023-10-06T23:10:14,972 adding 'qmflows/components/__init__.py' 2023-10-06T23:10:14,973 adding 'qmflows/components/operations.py' 2023-10-06T23:10:14,975 adding 'qmflows/components/reactivity.py' 2023-10-06T23:10:14,976 adding 'qmflows/data/__init__.py' 2023-10-06T23:10:14,978 adding 'qmflows/data/dictionaries/__init__.py' 2023-10-06T23:10:14,979 adding 'qmflows/data/dictionaries/generic2ADF.yaml' 2023-10-06T23:10:14,980 adding 'qmflows/data/dictionaries/generic2CP2K.yaml' 2023-10-06T23:10:14,981 adding 'qmflows/data/dictionaries/generic2CP2KMM.yaml' 2023-10-06T23:10:14,982 adding 'qmflows/data/dictionaries/generic2DFTB.yaml' 2023-10-06T23:10:14,983 adding 'qmflows/data/dictionaries/generic2ORCA.yaml' 2023-10-06T23:10:14,984 adding 'qmflows/data/dictionaries/generic2PackageWrapper.yaml' 2023-10-06T23:10:14,985 adding 'qmflows/data/dictionaries/propertiesADF.yaml' 2023-10-06T23:10:14,987 adding 'qmflows/data/dictionaries/propertiesCP2K.yaml' 2023-10-06T23:10:14,988 adding 'qmflows/data/dictionaries/propertiesCP2KMM.yaml' 2023-10-06T23:10:14,989 adding 'qmflows/data/dictionaries/propertiesDFTB.yaml' 2023-10-06T23:10:14,990 adding 'qmflows/data/dictionaries/propertiesORCA.yaml' 2023-10-06T23:10:14,991 adding 'qmflows/data/dictionaries/propertiesPackageWrapper.yaml' 2023-10-06T23:10:14,993 adding 'qmflows/examples/__init__.py' 2023-10-06T23:10:14,995 adding 'qmflows/examples/Conditional_workflows/__init__.py' 2023-10-06T23:10:14,996 adding 'qmflows/examples/Conditional_workflows/calc_freqs.py' 2023-10-06T23:10:14,998 adding 'qmflows/examples/Constrained_and_TS_optimizations/H2O2_TS.py' 2023-10-06T23:10:14,999 adding 'qmflows/examples/Constrained_and_TS_optimizations/__init__.py' 2023-10-06T23:10:15,000 adding 'qmflows/examples/Constrained_and_TS_optimizations/generic_constraints.py' 2023-10-06T23:10:15,001 adding 'qmflows/examples/Constrained_and_TS_optimizations/partial_geometry_opt.py' 2023-10-06T23:10:15,003 adding 'qmflows/packages/__init__.py' 2023-10-06T23:10:15,005 adding 'qmflows/packages/_cp2k.py' 2023-10-06T23:10:15,007 adding 'qmflows/packages/_cp2k_mm.py' 2023-10-06T23:10:15,008 adding 'qmflows/packages/_orca.py' 2023-10-06T23:10:15,010 adding 'qmflows/packages/_package_wrapper.py' 2023-10-06T23:10:15,014 adding 'qmflows/packages/_packages.py' 2023-10-06T23:10:15,016 adding 'qmflows/packages/_scm.py' 2023-10-06T23:10:15,018 adding 'qmflows/packages/_serializer.py' 2023-10-06T23:10:15,020 adding 'qmflows/parsers/__init__.py' 2023-10-06T23:10:15,021 adding 'qmflows/parsers/_cp2k_basis_parser.py' 2023-10-06T23:10:15,023 adding 'qmflows/parsers/_cp2k_orbital_parser.py' 2023-10-06T23:10:15,024 adding 'qmflows/parsers/_generic.py' 2023-10-06T23:10:15,026 adding 'qmflows/parsers/_xyz.py' 2023-10-06T23:10:15,027 adding 'qmflows/parsers/adf.py' 2023-10-06T23:10:15,029 adding 'qmflows/parsers/cp2k.py' 2023-10-06T23:10:15,031 adding 'qmflows/parsers/orca.py' 2023-10-06T23:10:15,032 adding 'qmflows/parsers/utils.py' 2023-10-06T23:10:15,034 adding 'qmflows/templates/__init__.py' 2023-10-06T23:10:15,035 adding 'qmflows/templates/_templates.py' 2023-10-06T23:10:15,037 adding 'qmflows-1.0.0.dist-info/LICENSE.md' 2023-10-06T23:10:15,039 adding 'qmflows-1.0.0.dist-info/METADATA' 2023-10-06T23:10:15,040 adding 'qmflows-1.0.0.dist-info/WHEEL' 2023-10-06T23:10:15,041 adding 'qmflows-1.0.0.dist-info/top_level.txt' 2023-10-06T23:10:15,042 adding 'qmflows-1.0.0.dist-info/RECORD' 2023-10-06T23:10:15,046 removing build/bdist.linux-armv7l/wheel 2023-10-06T23:10:15,189 Building wheel for qmflows (pyproject.toml): finished with status 'done' 2023-10-06T23:10:15,196 Created wheel for qmflows: filename=qmflows-1.0.0-py3-none-any.whl size=83911 sha256=d38fee0e63fdd181ef13ff8af3343de20c283a60b1d5abeaf320d035d20fcea8 2023-10-06T23:10:15,197 Stored in directory: /tmp/pip-ephem-wheel-cache-i25r4brk/wheels/f1/0c/0f/3ad4d8fc639fb94b2ffb5c5b34f2abcdf8720ad63fc8478225 2023-10-06T23:10:15,210 Successfully built qmflows 2023-10-06T23:10:15,215 Removed build tracker: '/tmp/pip-build-tracker-sial2jit'