2025-01-08T12:01:54,487 Created temporary directory: /tmp/pip-build-tracker-z8lmb9kc 2025-01-08T12:01:54,488 Initialized build tracking at /tmp/pip-build-tracker-z8lmb9kc 2025-01-08T12:01:54,489 Created build tracker: /tmp/pip-build-tracker-z8lmb9kc 2025-01-08T12:01:54,489 Entered build tracker: /tmp/pip-build-tracker-z8lmb9kc 2025-01-08T12:01:54,490 Created temporary directory: /tmp/pip-wheel-aab0ro62 2025-01-08T12:01:54,495 Created temporary directory: /tmp/pip-ephem-wheel-cache-v0lodh7o 2025-01-08T12:01:54,543 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-01-08T12:01:54,545 2 location(s) to search for versions of plams: 2025-01-08T12:01:54,545 * https://pypi.org/simple/plams/ 2025-01-08T12:01:54,545 * https://www.piwheels.org/simple/plams/ 2025-01-08T12:01:54,546 Fetching project page and analyzing links: https://pypi.org/simple/plams/ 2025-01-08T12:01:54,547 Getting page https://pypi.org/simple/plams/ 2025-01-08T12:01:54,548 Found index url https://pypi.org/simple/ 2025-01-08T12:01:54,772 Fetched page https://pypi.org/simple/plams/ as application/vnd.pypi.simple.v1+json 2025-01-08T12:01:54,777 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/fa/31/e184d79c611a23669b62ab28ab8adb3992059abe7a791874184de2f3ce34/PLAMS-1.1.1-py2.py3-none-any.whl (from https://pypi.org/simple/plams/) 2025-01-08T12:01:54,777 Found link https://files.pythonhosted.org/packages/24/86/79429821e27134d70c2de0db7a031b2fbb4c515271f5eab88c74af381f49/PLAMS-1.1.1.tar.gz (from https://pypi.org/simple/plams/), version: 1.1.1 2025-01-08T12:01:54,778 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/d2/79/f7573d13b9514d01011cae5e52487bd3b6a1d205a3f0b4a944aca426330d/plams-1.4-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,779 Found link https://files.pythonhosted.org/packages/8d/21/47561efd3e32584d14879fb869f60754952f85ff1c3f4cdde7fb234b6544/plams-1.4.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 1.4 2025-01-08T12:01:54,779 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/ae/d1/cd871ebb30996a5d432bdaddb07d2eb3b6efea3a0db3b2c52b6fa8b139b3/plams-1.5-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,780 Found link https://files.pythonhosted.org/packages/5f/0c/d64550a1c45d9c75d717e96e82a74c3413b0fc2c60a08bdbb3d668847fbc/plams-1.5.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 1.5 2025-01-08T12:01:54,781 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/ff/d0/438c3709665360ad40a3e501f1ca8ca98b18468fff7917f52d8ac5ae7e1f/plams-1.5.1-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,782 Found link https://files.pythonhosted.org/packages/d2/28/dd41cd4707649b05edea728c602e5250dbb0a48fc114269ee662dce4233a/plams-1.5.1.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 1.5.1 2025-01-08T12:01:54,783 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/7a/4a/3de2c19e0d3ccf08295205d293c2eee01a6a71f20a30da9d53b8d36e0021/plams-2024.103-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,783 Found link https://files.pythonhosted.org/packages/a1/3a/b51d6573ed7452fedb946cdcea60fd09db9053abef5db3d5916557638d81/plams-2024.103.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 2024.103 2025-01-08T12:01:54,784 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/3c/dc/d9560188cf381d88dc3ffe93675965b19103df5eae978b53af0b96680582/plams-2024.104-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,785 Found link https://files.pythonhosted.org/packages/d2/25/30844466b9f8aa7faebbd2d3cdbcdf9bada7377b0a6a743fb846ff308d84/plams-2024.104.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 2024.104 2025-01-08T12:01:54,786 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/7b/14/801809f30e5275af5e552003f6fce59931bb92c4a12cd54efca74a807399/plams-2024.105-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,787 Found link https://files.pythonhosted.org/packages/cd/ba/b66cd8c2db6ae989f1b7a6aa857dfa3c55e1e41824cfad7c3e4177ac558c/plams-2024.105.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 2024.105 2025-01-08T12:01:54,788 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/93/61/05fc759da7c7adb9d0e88da6d586434963e11a70e7aeb9a5ea4cf85d1e5a/plams-2024.106-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,789 Found link https://files.pythonhosted.org/packages/7f/70/1fec183c90feec2d06d6090465586c005c3ec942e392fcf59d682e7f8319/plams-2024.106.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 2024.106 2025-01-08T12:01:54,790 Fetching project page and analyzing links: https://www.piwheels.org/simple/plams/ 2025-01-08T12:01:54,790 Getting page https://www.piwheels.org/simple/plams/ 2025-01-08T12:01:54,791 Found index url https://www.piwheels.org/simple/ 2025-01-08T12:01:54,949 Fetched page https://www.piwheels.org/simple/plams/ as text/html 2025-01-08T12:01:54,952 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/plams-2024.105-py3-none-any.whl#sha256=13ae27a0bdd3b625abc8cf91d163942a0cd14d95df7ff99670012fbd0e654643 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,952 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/plams-2024.104-py3-none-any.whl#sha256=82edea31d74f7b7c8f9c10f499470bf0989331b27e70dbe03a630b7d4ae55494 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,953 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/plams-2024.103-py3-none-any.whl#sha256=c0deabba55dbd9050ef76f2ffea02c45937a127675471500076dd889f4f7ce63 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,953 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/plams-1.5.1-py3-none-any.whl#sha256=0407e08e9658020f75103415dcd9c5d000a965b4302bbb57b00f189d8896db2d (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,954 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/plams-1.5-py3-none-any.whl#sha256=754632be4c436b80914dabb1b2304bb8ff267cb6a3a3d34300598a1a86fc71c1 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,954 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/plams-1.4-py3-none-any.whl#sha256=99e8c03ce64c241bd4d1c3dcac7400148d62ad5bed921a2ce412944d578428d2 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2025-01-08T12:01:54,955 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/PLAMS-1.1.1-py2.py3-none-any.whl#sha256=2aa6ca4e0638b7809047cdd03b0b0926c29be2cb8ffde8bc341d316551a0012c (from https://www.piwheels.org/simple/plams/) 2025-01-08T12:01:54,955 Skipping link: not a file: https://www.piwheels.org/simple/plams/ 2025-01-08T12:01:54,956 Skipping link: not a file: https://pypi.org/simple/plams/ 2025-01-08T12:01:54,974 Given no hashes to check 1 links for project 'plams': discarding no candidates 2025-01-08T12:01:54,976 Collecting plams==2024.106 2025-01-08T12:01:54,978 Created temporary directory: /tmp/pip-unpack-wc5xi9tx 2025-01-08T12:01:55,226 Downloading plams-2024.106.tar.gz (401 kB) 2025-01-08T12:01:55,724 Added plams==2024.106 from https://files.pythonhosted.org/packages/7f/70/1fec183c90feec2d06d6090465586c005c3ec942e392fcf59d682e7f8319/plams-2024.106.tar.gz to build tracker '/tmp/pip-build-tracker-z8lmb9kc' 2025-01-08T12:01:55,726 Running setup.py (path:/tmp/pip-wheel-aab0ro62/plams_f572170e97aa4463a041bfe3ba1ab8e9/setup.py) egg_info for package plams 2025-01-08T12:01:55,728 Created temporary directory: /tmp/pip-pip-egg-info-wayr6chg 2025-01-08T12:01:55,728 Preparing metadata (setup.py): started 2025-01-08T12:01:55,729 Running command python setup.py egg_info 2025-01-08T12:01:56,889 running egg_info 2025-01-08T12:01:56,919 creating /tmp/pip-pip-egg-info-wayr6chg/plams.egg-info 2025-01-08T12:01:56,920 writing /tmp/pip-pip-egg-info-wayr6chg/plams.egg-info/PKG-INFO 2025-01-08T12:01:56,925 writing dependency_links to /tmp/pip-pip-egg-info-wayr6chg/plams.egg-info/dependency_links.txt 2025-01-08T12:01:56,928 writing requirements to /tmp/pip-pip-egg-info-wayr6chg/plams.egg-info/requires.txt 2025-01-08T12:01:56,929 writing top-level names to /tmp/pip-pip-egg-info-wayr6chg/plams.egg-info/top_level.txt 2025-01-08T12:01:56,931 writing manifest file '/tmp/pip-pip-egg-info-wayr6chg/plams.egg-info/SOURCES.txt' 2025-01-08T12:01:57,076 reading manifest file '/tmp/pip-pip-egg-info-wayr6chg/plams.egg-info/SOURCES.txt' 2025-01-08T12:01:57,078 adding license file 'LICENSE.md' 2025-01-08T12:01:57,086 writing manifest file '/tmp/pip-pip-egg-info-wayr6chg/plams.egg-info/SOURCES.txt' 2025-01-08T12:01:57,193 Preparing metadata (setup.py): finished with status 'done' 2025-01-08T12:01:57,197 Source in /tmp/pip-wheel-aab0ro62/plams_f572170e97aa4463a041bfe3ba1ab8e9 has version 2024.106, which satisfies requirement plams==2024.106 from https://files.pythonhosted.org/packages/7f/70/1fec183c90feec2d06d6090465586c005c3ec942e392fcf59d682e7f8319/plams-2024.106.tar.gz 2025-01-08T12:01:57,198 Removed plams==2024.106 from https://files.pythonhosted.org/packages/7f/70/1fec183c90feec2d06d6090465586c005c3ec942e392fcf59d682e7f8319/plams-2024.106.tar.gz from build tracker '/tmp/pip-build-tracker-z8lmb9kc' 2025-01-08T12:01:57,205 Created temporary directory: /tmp/pip-unpack-4812haek 2025-01-08T12:01:57,206 Created temporary directory: /tmp/pip-unpack-ziwcat0n 2025-01-08T12:01:57,206 Building wheels for collected packages: plams 2025-01-08T12:01:57,211 Created temporary directory: /tmp/pip-wheel-pl1w_shp 2025-01-08T12:01:57,211 Building wheel for plams (setup.py): started 2025-01-08T12:01:57,212 Destination directory: /tmp/pip-wheel-pl1w_shp 2025-01-08T12:01:57,213 Running command python setup.py bdist_wheel 2025-01-08T12:01:58,278 running bdist_wheel 2025-01-08T12:01:58,415 running build 2025-01-08T12:01:58,416 running build_py 2025-01-08T12:01:58,446 creating build/lib/scm/plams 2025-01-08T12:01:58,449 copying ./version.py -> build/lib/scm/plams 2025-01-08T12:01:58,451 copying ./__init__.py -> build/lib/scm/plams 2025-01-08T12:01:58,455 creating build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,456 copying ./unit_tests/test_identify_basic.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,458 copying ./unit_tests/test_identify_EZ.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,460 copying ./unit_tests/test_identify_CO_6.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,462 copying ./unit_tests/test_version.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,464 copying ./unit_tests/test_smiles.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,467 copying ./unit_tests/test_inputparser.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,469 copying ./unit_tests/test_interfaces.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,483 copying ./unit_tests/test_identify_RS.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,485 copying ./unit_tests/conftest.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,487 copying ./unit_tests/test_amsjob.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,489 copying ./unit_tests/test_identify_CO_flat4.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,491 copying ./unit_tests/__init__.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,493 copying ./unit_tests/test_molecule.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,495 copying ./unit_tests/test_helpers.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,497 copying ./unit_tests/test_ASECalculator.py -> build/lib/scm/plams/unit_tests 2025-01-08T12:01:58,500 creating build/lib/scm/plams/tools 2025-01-08T12:01:58,501 copying ./tools/plot.py -> build/lib/scm/plams/tools 2025-01-08T12:01:58,504 copying ./tools/periodic_table.py -> build/lib/scm/plams/tools 2025-01-08T12:01:58,507 copying ./tools/units.py -> build/lib/scm/plams/tools 2025-01-08T12:01:58,510 copying ./tools/reaction_energies.py -> build/lib/scm/plams/tools 2025-01-08T12:01:58,512 copying ./tools/kftools.py -> build/lib/scm/plams/tools 2025-01-08T12:01:58,515 copying ./tools/converters.py -> build/lib/scm/plams/tools 2025-01-08T12:01:58,518 copying ./tools/geometry.py -> build/lib/scm/plams/tools 2025-01-08T12:01:58,520 copying ./tools/__init__.py -> build/lib/scm/plams/tools 2025-01-08T12:01:58,522 copying ./tools/postprocess_results.py -> build/lib/scm/plams/tools 2025-01-08T12:01:58,524 creating build/lib/scm/plams/core 2025-01-08T12:01:58,525 copying ./core/jobrunner.py -> build/lib/scm/plams/core 2025-01-08T12:01:58,528 copying ./core/settings.py -> build/lib/scm/plams/core 2025-01-08T12:01:58,531 copying ./core/errors.py -> build/lib/scm/plams/core 2025-01-08T12:01:58,533 copying ./core/private.py -> build/lib/scm/plams/core 2025-01-08T12:01:58,535 copying ./core/functions.py -> build/lib/scm/plams/core 2025-01-08T12:01:58,538 copying ./core/jobmanager.py -> build/lib/scm/plams/core 2025-01-08T12:01:58,540 copying ./core/basejob.py -> build/lib/scm/plams/core 2025-01-08T12:01:58,543 copying ./core/__init__.py -> build/lib/scm/plams/core 2025-01-08T12:01:58,545 copying ./core/results.py -> build/lib/scm/plams/core 2025-01-08T12:01:58,548 creating build/lib/scm/plams/mol 2025-01-08T12:01:58,549 copying ./mol/context.py -> build/lib/scm/plams/mol 2025-01-08T12:01:58,551 copying ./mol/bond.py -> build/lib/scm/plams/mol 2025-01-08T12:01:58,554 copying ./mol/pdbtools.py -> build/lib/scm/plams/mol 2025-01-08T12:01:58,556 copying ./mol/identify.py -> build/lib/scm/plams/mol 2025-01-08T12:01:58,559 copying ./mol/atom.py -> build/lib/scm/plams/mol 2025-01-08T12:01:58,561 copying ./mol/__init__.py -> build/lib/scm/plams/mol 2025-01-08T12:01:58,563 copying ./mol/molecule.py -> build/lib/scm/plams/mol 2025-01-08T12:01:58,568 creating build/lib/scm/plams/interfaces 2025-01-08T12:01:58,570 copying ./interfaces/__init__.py -> build/lib/scm/plams/interfaces 2025-01-08T12:01:58,573 creating build/lib/scm/plams/trajectories 2025-01-08T12:01:58,574 copying ./trajectories/xyzhistoryfile.py -> build/lib/scm/plams/trajectories 2025-01-08T12:01:58,577 copying ./trajectories/sdfhistoryfile.py -> build/lib/scm/plams/trajectories 2025-01-08T12:01:58,580 copying ./trajectories/trajectory.py -> build/lib/scm/plams/trajectories 2025-01-08T12:01:58,586 copying ./trajectories/dcdfile.py -> build/lib/scm/plams/trajectories 2025-01-08T12:01:58,636 copying ./trajectories/rkffile.py -> build/lib/scm/plams/trajectories 2025-01-08T12:01:58,639 copying ./trajectories/xyzfile.py -> build/lib/scm/plams/trajectories 2025-01-08T12:01:58,642 copying ./trajectories/analysis.py -> build/lib/scm/plams/trajectories 2025-01-08T12:01:58,644 copying ./trajectories/rkfhistoryfile.py -> build/lib/scm/plams/trajectories 2025-01-08T12:01:58,647 copying ./trajectories/sdffile.py -> build/lib/scm/plams/trajectories 2025-01-08T12:01:58,650 copying ./trajectories/__init__.py -> build/lib/scm/plams/trajectories 2025-01-08T12:01:58,652 copying ./trajectories/trajectoryfile.py -> build/lib/scm/plams/trajectories 2025-01-08T12:01:58,656 creating build/lib/scm/plams/recipes 2025-01-08T12:01:58,657 copying ./recipes/ams_crs.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,660 copying ./recipes/counterpoise.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,664 copying ./recipes/fcf_dos.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,666 copying ./recipes/adfnbo.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,669 copying ./recipes/adfcosmorsconformers.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,672 copying ./recipes/reorganization_energy.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,674 copying ./recipes/redox_potential.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,677 copying ./recipes/adffragment.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,679 copying ./recipes/ox_potential.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,682 copying ./recipes/redox_defaults.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,684 copying ./recipes/redox.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,687 copying ./recipes/cshadf.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,690 copying ./recipes/__init__.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,692 copying ./recipes/numgrad.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,694 copying ./recipes/adfcosmorscompound.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,697 copying ./recipes/numhess.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,699 copying ./recipes/global_minimum.py -> build/lib/scm/plams/recipes 2025-01-08T12:01:58,703 creating build/lib/scm/plams/interfaces/molecule 2025-01-08T12:01:58,704 copying ./interfaces/molecule/packmol.py -> build/lib/scm/plams/interfaces/molecule 2025-01-08T12:01:58,707 copying ./interfaces/molecule/ase.py -> build/lib/scm/plams/interfaces/molecule 2025-01-08T12:01:58,710 copying ./interfaces/molecule/__init__.py -> build/lib/scm/plams/interfaces/molecule 2025-01-08T12:01:58,712 copying ./interfaces/molecule/rdkit.py -> build/lib/scm/plams/interfaces/molecule 2025-01-08T12:01:58,716 creating build/lib/scm/plams/interfaces/thirdparty 2025-01-08T12:01:58,717 copying ./interfaces/thirdparty/vasp.py -> build/lib/scm/plams/interfaces/thirdparty 2025-01-08T12:01:58,720 copying ./interfaces/thirdparty/gamess.py -> build/lib/scm/plams/interfaces/thirdparty 2025-01-08T12:01:58,722 copying ./interfaces/thirdparty/raspa.py -> build/lib/scm/plams/interfaces/thirdparty 2025-01-08T12:01:58,725 copying ./interfaces/thirdparty/cp2k.py -> build/lib/scm/plams/interfaces/thirdparty 2025-01-08T12:01:58,728 copying ./interfaces/thirdparty/dirac.py -> build/lib/scm/plams/interfaces/thirdparty 2025-01-08T12:01:58,730 copying ./interfaces/thirdparty/crystal.py -> build/lib/scm/plams/interfaces/thirdparty 2025-01-08T12:01:58,733 copying ./interfaces/thirdparty/dftbplus.py -> build/lib/scm/plams/interfaces/thirdparty 2025-01-08T12:01:58,736 copying ./interfaces/thirdparty/orca.py -> build/lib/scm/plams/interfaces/thirdparty 2025-01-08T12:01:58,739 copying ./interfaces/thirdparty/__init__.py -> build/lib/scm/plams/interfaces/thirdparty 2025-01-08T12:01:58,742 creating build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,744 copying ./interfaces/adfsuite/mopac.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,747 copying ./interfaces/adfsuite/unifac.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,749 copying ./interfaces/adfsuite/ase_calculator.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,752 copying ./interfaces/adfsuite/band.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,755 copying ./interfaces/adfsuite/crs.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,758 copying ./interfaces/adfsuite/dftb.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,761 copying ./interfaces/adfsuite/forcefieldparams.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,763 copying ./interfaces/adfsuite/uff.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,765 copying ./interfaces/adfsuite/reaxff.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,768 copying ./interfaces/adfsuite/inputparser.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,771 copying ./interfaces/adfsuite/quickjobs.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,773 copying ./interfaces/adfsuite/scmjob.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,776 copying ./interfaces/adfsuite/densf.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,779 copying ./interfaces/adfsuite/ams.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,784 copying ./interfaces/adfsuite/amsanalysis.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,787 copying ./interfaces/adfsuite/__init__.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,788 copying ./interfaces/adfsuite/fcf.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,791 copying ./interfaces/adfsuite/adf.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,793 copying ./interfaces/adfsuite/amspipeerror.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,796 copying ./interfaces/adfsuite/amsworker.py -> build/lib/scm/plams/interfaces/adfsuite 2025-01-08T12:01:58,800 creating build/lib/scm/plams/recipes/ts 2025-01-08T12:01:58,802 copying ./recipes/ts/reaction_boost_workflow.py -> build/lib/scm/plams/recipes/ts 2025-01-08T12:01:58,805 copying ./recipes/ts/__init__.py -> build/lib/scm/plams/recipes/ts 2025-01-08T12:01:58,807 creating build/lib/scm/plams/recipes/pestools 2025-01-08T12:01:58,809 copying ./recipes/pestools/__init__.py -> build/lib/scm/plams/recipes/pestools 2025-01-08T12:01:58,811 copying ./recipes/pestools/optimizer.py -> build/lib/scm/plams/recipes/pestools 2025-01-08T12:01:58,815 creating build/lib/scm/plams/recipes/md 2025-01-08T12:01:58,816 copying ./recipes/md/trajectoryanalysis.py -> build/lib/scm/plams/recipes/md 2025-01-08T12:01:58,820 copying ./recipes/md/scandensity.py -> build/lib/scm/plams/recipes/md 2025-01-08T12:01:58,822 copying ./recipes/md/nvespawner.py -> build/lib/scm/plams/recipes/md 2025-01-08T12:01:58,824 copying ./recipes/md/equilibratedensity.py -> build/lib/scm/plams/recipes/md 2025-01-08T12:01:58,828 copying ./recipes/md/movingrestraints.py -> build/lib/scm/plams/recipes/md 2025-01-08T12:01:58,830 copying ./recipes/md/amsmdjob.py -> build/lib/scm/plams/recipes/md 2025-01-08T12:01:58,834 copying ./recipes/md/greenkuboviscosity.py -> build/lib/scm/plams/recipes/md 2025-01-08T12:01:58,836 copying ./recipes/md/__init__.py -> build/lib/scm/plams/recipes/md 2025-01-08T12:01:58,851 copying ./.flake8 -> build/lib/scm/plams 2025-01-08T12:01:58,854 copying ./plams_defaults -> build/lib/scm/plams 2025-01-08T12:01:58,857 creating build/lib/scm/plams/examples 2025-01-08T12:01:58,859 copying ./examples/MoleculesFromRKFTrajectory.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,862 copying ./examples/get_irspectrum.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,864 copying ./examples/ReductionOxidationPotentials.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,869 copying ./examples/get_water_indices.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,872 copying ./examples/plot_correlation.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,874 copying ./examples/AMSPlumedMD.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,877 copying ./examples/MoleculeSubstitution.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,880 copying ./examples/ir_spectrum_from_md.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,883 copying ./examples/ams_crs.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,886 copying ./examples/xrd.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,888 copying ./examples/MoleculesTable.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,891 copying ./examples/ChargeTransferIntegralsADF.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,894 copying ./examples/get_hbonds.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,896 copying ./examples/BasisSetBenchmark.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,899 copying ./examples/UseLowestEnergy.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,902 copying ./examples/get_charged_ions.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,906 copying ./examples/PackMol.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,909 copying ./examples/He2DissociationCurve.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,912 copying ./examples/ConvertToAMSRKFTrajectory.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,914 copying ./examples/rkf_to_wrapped_dcd.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,917 copying ./examples/PropertyPrediction.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,919 copying ./examples/ASECalculator.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,921 copying ./examples/BAND_NiO_HubbardU.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,924 copying ./examples/M3GNet.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,926 copying ./examples/ConformersGeneration.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,929 copying ./examples/reuse_forcefieldparams.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,931 copying ./examples/ExcitationsWorkflow.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,934 copying ./examples/AMSMDJob.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,936 copying ./examples/WaterOptimization.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,939 copying ./examples/molecules_ReactionEnergyBenchmark.zip -> build/lib/scm/plams/examples 2025-01-08T12:01:58,942 copying ./examples/BasicMDPostanalysis.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,944 copying ./examples/ReorganizationEnergy.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,947 copying ./examples/TuningRangeSeparation.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,949 copying ./examples/get_ionic_conductivity.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,952 copying ./examples/ManyJobsInParallel.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,954 copying ./examples/SellaTransitionStateSearch.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,956 copying ./examples/ReactionEnergyBenchmark.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,959 copying ./examples/CustomASECalculator.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,962 copying ./examples/QE_AMS_AFM_HubbardU.py -> build/lib/scm/plams/examples 2025-01-08T12:01:58,971 creating build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:58,972 copying ./unit_tests/xyz/CO_6_1.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:58,974 copying ./unit_tests/xyz/CO_6_4.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:58,977 copying ./unit_tests/xyz/CO_6_2.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:58,979 copying ./unit_tests/xyz/multiple_mols_in_xyz.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:58,982 copying ./unit_tests/xyz/chlorophyl2.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:58,985 copying ./unit_tests/xyz/CO_flat4_1.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:58,988 copying ./unit_tests/xyz/CO_6_5.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:58,991 copying ./unit_tests/xyz/chlorophyl1.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:58,993 copying ./unit_tests/xyz/CO_flat4_3.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:58,995 copying ./unit_tests/xyz/CO_flat4_2.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:58,998 copying ./unit_tests/xyz/EZ2.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:59,000 copying ./unit_tests/xyz/EZ1.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:59,003 copying ./unit_tests/xyz/RS1.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:59,005 copying ./unit_tests/xyz/benzene.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:59,008 copying ./unit_tests/xyz/CO_6_3.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:59,010 copying ./unit_tests/xyz/CO_flat4_4.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:59,012 copying ./unit_tests/xyz/RS2.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-01-08T12:01:59,023 running build_scripts 2025-01-08T12:01:59,024 creating build/scripts-3.11 2025-01-08T12:01:59,025 copying and adjusting scripts/plams -> build/scripts-3.11 2025-01-08T12:01:59,028 changing mode of build/scripts-3.11/plams from 644 to 755 2025-01-08T12:01:59,056 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2025-01-08T12:01:59,057 !! 2025-01-08T12:01:59,058 ******************************************************************************** 2025-01-08T12:01:59,059 Please avoid running ``setup.py`` directly. 2025-01-08T12:01:59,059 Instead, use pypa/build, pypa/installer or other 2025-01-08T12:01:59,059 standards-based tools. 2025-01-08T12:01:59,060 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2025-01-08T12:01:59,061 ******************************************************************************** 2025-01-08T12:01:59,062 !! 2025-01-08T12:01:59,063 self.initialize_options() 2025-01-08T12:01:59,088 installing to build/bdist.linux-armv7l/wheel 2025-01-08T12:01:59,089 running install 2025-01-08T12:01:59,114 running install_lib 2025-01-08T12:01:59,142 creating build/bdist.linux-armv7l/wheel 2025-01-08T12:01:59,145 creating build/bdist.linux-armv7l/wheel/scm 2025-01-08T12:01:59,147 creating build/bdist.linux-armv7l/wheel/scm/plams 2025-01-08T12:01:59,149 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests 2025-01-08T12:01:59,150 copying build/lib/scm/plams/unit_tests/test_identify_basic.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,153 copying build/lib/scm/plams/unit_tests/test_identify_EZ.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,155 copying build/lib/scm/plams/unit_tests/test_identify_CO_6.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,157 copying build/lib/scm/plams/unit_tests/test_version.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,158 copying build/lib/scm/plams/unit_tests/test_smiles.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,161 copying build/lib/scm/plams/unit_tests/test_inputparser.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,163 copying build/lib/scm/plams/unit_tests/test_interfaces.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,166 copying build/lib/scm/plams/unit_tests/test_identify_RS.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,168 copying build/lib/scm/plams/unit_tests/conftest.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,170 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/xyz 2025-01-08T12:01:59,172 copying build/lib/scm/plams/unit_tests/xyz/CO_6_1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,174 copying build/lib/scm/plams/unit_tests/xyz/CO_6_4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,176 copying build/lib/scm/plams/unit_tests/xyz/CO_6_2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,178 copying build/lib/scm/plams/unit_tests/xyz/multiple_mols_in_xyz.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,180 copying build/lib/scm/plams/unit_tests/xyz/chlorophyl2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,183 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,185 copying build/lib/scm/plams/unit_tests/xyz/CO_6_5.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,186 copying build/lib/scm/plams/unit_tests/xyz/chlorophyl1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,189 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_3.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,190 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,192 copying build/lib/scm/plams/unit_tests/xyz/EZ2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,194 copying build/lib/scm/plams/unit_tests/xyz/EZ1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,196 copying build/lib/scm/plams/unit_tests/xyz/RS1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,198 copying build/lib/scm/plams/unit_tests/xyz/benzene.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,200 copying build/lib/scm/plams/unit_tests/xyz/CO_6_3.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,202 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,204 copying build/lib/scm/plams/unit_tests/xyz/RS2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-01-08T12:01:59,206 copying build/lib/scm/plams/unit_tests/test_amsjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,208 copying build/lib/scm/plams/unit_tests/test_identify_CO_flat4.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,211 copying build/lib/scm/plams/unit_tests/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,213 copying build/lib/scm/plams/unit_tests/test_molecule.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,216 copying build/lib/scm/plams/unit_tests/test_helpers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,218 copying build/lib/scm/plams/unit_tests/test_ASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-01-08T12:01:59,219 copying build/lib/scm/plams/plams_defaults -> build/bdist.linux-armv7l/wheel/./scm/plams 2025-01-08T12:01:59,223 creating build/bdist.linux-armv7l/wheel/scm/plams/tools 2025-01-08T12:01:59,224 copying build/lib/scm/plams/tools/plot.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-01-08T12:01:59,227 copying build/lib/scm/plams/tools/periodic_table.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-01-08T12:01:59,229 copying build/lib/scm/plams/tools/units.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-01-08T12:01:59,232 copying build/lib/scm/plams/tools/reaction_energies.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-01-08T12:01:59,234 copying build/lib/scm/plams/tools/kftools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-01-08T12:01:59,237 copying build/lib/scm/plams/tools/converters.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-01-08T12:01:59,240 copying build/lib/scm/plams/tools/geometry.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-01-08T12:01:59,243 copying build/lib/scm/plams/tools/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-01-08T12:01:59,245 copying build/lib/scm/plams/tools/postprocess_results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-01-08T12:01:59,248 creating build/bdist.linux-armv7l/wheel/scm/plams/examples 2025-01-08T12:01:59,250 copying build/lib/scm/plams/examples/MoleculesFromRKFTrajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,252 copying build/lib/scm/plams/examples/get_irspectrum.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,254 copying build/lib/scm/plams/examples/ReductionOxidationPotentials.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,256 copying build/lib/scm/plams/examples/get_water_indices.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,258 copying build/lib/scm/plams/examples/plot_correlation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,260 copying build/lib/scm/plams/examples/AMSPlumedMD.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,262 copying build/lib/scm/plams/examples/MoleculeSubstitution.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,264 copying build/lib/scm/plams/examples/ir_spectrum_from_md.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,266 copying build/lib/scm/plams/examples/ams_crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,269 copying build/lib/scm/plams/examples/xrd.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,271 copying build/lib/scm/plams/examples/MoleculesTable.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,274 copying build/lib/scm/plams/examples/ChargeTransferIntegralsADF.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,276 copying build/lib/scm/plams/examples/get_hbonds.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,278 copying build/lib/scm/plams/examples/BasisSetBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,280 copying build/lib/scm/plams/examples/UseLowestEnergy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,282 copying build/lib/scm/plams/examples/get_charged_ions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,285 copying build/lib/scm/plams/examples/PackMol.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,287 copying build/lib/scm/plams/examples/He2DissociationCurve.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,289 copying build/lib/scm/plams/examples/ConvertToAMSRKFTrajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,291 copying build/lib/scm/plams/examples/rkf_to_wrapped_dcd.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,293 copying build/lib/scm/plams/examples/PropertyPrediction.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,295 copying build/lib/scm/plams/examples/ASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,298 copying build/lib/scm/plams/examples/BAND_NiO_HubbardU.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,300 copying build/lib/scm/plams/examples/M3GNet.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,302 copying build/lib/scm/plams/examples/ConformersGeneration.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,304 copying build/lib/scm/plams/examples/reuse_forcefieldparams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,307 copying build/lib/scm/plams/examples/ExcitationsWorkflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,310 copying build/lib/scm/plams/examples/AMSMDJob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,312 copying build/lib/scm/plams/examples/WaterOptimization.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,315 copying build/lib/scm/plams/examples/molecules_ReactionEnergyBenchmark.zip -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,317 copying build/lib/scm/plams/examples/BasicMDPostanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,319 copying build/lib/scm/plams/examples/ReorganizationEnergy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,322 copying build/lib/scm/plams/examples/TuningRangeSeparation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,324 copying build/lib/scm/plams/examples/get_ionic_conductivity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,327 copying build/lib/scm/plams/examples/ManyJobsInParallel.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,329 copying build/lib/scm/plams/examples/SellaTransitionStateSearch.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,330 copying build/lib/scm/plams/examples/ReactionEnergyBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,333 copying build/lib/scm/plams/examples/CustomASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,335 copying build/lib/scm/plams/examples/QE_AMS_AFM_HubbardU.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-01-08T12:01:59,337 copying build/lib/scm/plams/version.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2025-01-08T12:01:59,340 creating build/bdist.linux-armv7l/wheel/scm/plams/core 2025-01-08T12:01:59,341 copying build/lib/scm/plams/core/jobrunner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-01-08T12:01:59,344 copying build/lib/scm/plams/core/settings.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-01-08T12:01:59,347 copying build/lib/scm/plams/core/errors.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-01-08T12:01:59,350 copying build/lib/scm/plams/core/private.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-01-08T12:01:59,352 copying build/lib/scm/plams/core/functions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-01-08T12:01:59,355 copying build/lib/scm/plams/core/jobmanager.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-01-08T12:01:59,358 copying build/lib/scm/plams/core/basejob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-01-08T12:01:59,363 copying build/lib/scm/plams/core/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-01-08T12:01:59,365 copying build/lib/scm/plams/core/results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-01-08T12:01:59,367 copying build/lib/scm/plams/.flake8 -> build/bdist.linux-armv7l/wheel/./scm/plams 2025-01-08T12:01:59,370 creating build/bdist.linux-armv7l/wheel/scm/plams/mol 2025-01-08T12:01:59,371 copying build/lib/scm/plams/mol/context.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-01-08T12:01:59,374 copying build/lib/scm/plams/mol/bond.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-01-08T12:01:59,376 copying build/lib/scm/plams/mol/pdbtools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-01-08T12:01:59,378 copying build/lib/scm/plams/mol/identify.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-01-08T12:01:59,381 copying build/lib/scm/plams/mol/atom.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-01-08T12:01:59,384 copying build/lib/scm/plams/mol/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-01-08T12:01:59,386 copying build/lib/scm/plams/mol/molecule.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-01-08T12:01:59,392 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces 2025-01-08T12:01:59,394 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/molecule 2025-01-08T12:01:59,395 copying build/lib/scm/plams/interfaces/molecule/packmol.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2025-01-08T12:01:59,400 copying build/lib/scm/plams/interfaces/molecule/ase.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2025-01-08T12:01:59,403 copying build/lib/scm/plams/interfaces/molecule/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2025-01-08T12:01:59,406 copying build/lib/scm/plams/interfaces/molecule/rdkit.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2025-01-08T12:01:59,410 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/thirdparty 2025-01-08T12:01:59,411 copying build/lib/scm/plams/interfaces/thirdparty/vasp.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-01-08T12:01:59,414 copying build/lib/scm/plams/interfaces/thirdparty/gamess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-01-08T12:01:59,416 copying build/lib/scm/plams/interfaces/thirdparty/raspa.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-01-08T12:01:59,419 copying build/lib/scm/plams/interfaces/thirdparty/cp2k.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-01-08T12:01:59,422 copying build/lib/scm/plams/interfaces/thirdparty/dirac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-01-08T12:01:59,424 copying build/lib/scm/plams/interfaces/thirdparty/crystal.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-01-08T12:01:59,427 copying build/lib/scm/plams/interfaces/thirdparty/dftbplus.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-01-08T12:01:59,429 copying build/lib/scm/plams/interfaces/thirdparty/orca.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-01-08T12:01:59,432 copying build/lib/scm/plams/interfaces/thirdparty/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-01-08T12:01:59,433 copying build/lib/scm/plams/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces 2025-01-08T12:01:59,436 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,437 copying build/lib/scm/plams/interfaces/adfsuite/mopac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,439 copying build/lib/scm/plams/interfaces/adfsuite/unifac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,442 copying build/lib/scm/plams/interfaces/adfsuite/ase_calculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,445 copying build/lib/scm/plams/interfaces/adfsuite/band.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,447 copying build/lib/scm/plams/interfaces/adfsuite/crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,450 copying build/lib/scm/plams/interfaces/adfsuite/dftb.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,452 copying build/lib/scm/plams/interfaces/adfsuite/forcefieldparams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,455 copying build/lib/scm/plams/interfaces/adfsuite/uff.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,457 copying build/lib/scm/plams/interfaces/adfsuite/reaxff.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,459 copying build/lib/scm/plams/interfaces/adfsuite/inputparser.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,462 copying build/lib/scm/plams/interfaces/adfsuite/quickjobs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,464 copying build/lib/scm/plams/interfaces/adfsuite/scmjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,467 copying build/lib/scm/plams/interfaces/adfsuite/densf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,470 copying build/lib/scm/plams/interfaces/adfsuite/ams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,476 copying build/lib/scm/plams/interfaces/adfsuite/amsanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,478 copying build/lib/scm/plams/interfaces/adfsuite/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,480 copying build/lib/scm/plams/interfaces/adfsuite/fcf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,482 copying build/lib/scm/plams/interfaces/adfsuite/adf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,484 copying build/lib/scm/plams/interfaces/adfsuite/amspipeerror.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,486 copying build/lib/scm/plams/interfaces/adfsuite/amsworker.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-01-08T12:01:59,490 copying build/lib/scm/plams/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2025-01-08T12:01:59,493 creating build/bdist.linux-armv7l/wheel/scm/plams/trajectories 2025-01-08T12:01:59,495 copying build/lib/scm/plams/trajectories/xyzhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-01-08T12:01:59,497 copying build/lib/scm/plams/trajectories/sdfhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-01-08T12:01:59,500 copying build/lib/scm/plams/trajectories/trajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-01-08T12:01:59,502 copying build/lib/scm/plams/trajectories/dcdfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-01-08T12:01:59,505 copying build/lib/scm/plams/trajectories/rkffile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-01-08T12:01:59,508 copying build/lib/scm/plams/trajectories/xyzfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-01-08T12:01:59,511 copying build/lib/scm/plams/trajectories/analysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-01-08T12:01:59,513 copying build/lib/scm/plams/trajectories/rkfhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-01-08T12:01:59,516 copying build/lib/scm/plams/trajectories/sdffile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-01-08T12:01:59,519 copying build/lib/scm/plams/trajectories/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-01-08T12:01:59,520 copying build/lib/scm/plams/trajectories/trajectoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-01-08T12:01:59,524 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes 2025-01-08T12:01:59,526 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/ts 2025-01-08T12:01:59,527 copying build/lib/scm/plams/recipes/ts/reaction_boost_workflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/ts 2025-01-08T12:01:59,530 copying build/lib/scm/plams/recipes/ts/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/ts 2025-01-08T12:01:59,532 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/pestools 2025-01-08T12:01:59,534 copying build/lib/scm/plams/recipes/pestools/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/pestools 2025-01-08T12:01:59,535 copying build/lib/scm/plams/recipes/pestools/optimizer.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/pestools 2025-01-08T12:01:59,538 copying build/lib/scm/plams/recipes/ams_crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,540 copying build/lib/scm/plams/recipes/counterpoise.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,543 copying build/lib/scm/plams/recipes/fcf_dos.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,545 copying build/lib/scm/plams/recipes/adfnbo.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,547 copying build/lib/scm/plams/recipes/adfcosmorsconformers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,549 copying build/lib/scm/plams/recipes/reorganization_energy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,551 copying build/lib/scm/plams/recipes/redox_potential.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,554 copying build/lib/scm/plams/recipes/adffragment.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,556 copying build/lib/scm/plams/recipes/ox_potential.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,559 copying build/lib/scm/plams/recipes/redox_defaults.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,561 copying build/lib/scm/plams/recipes/redox.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,564 copying build/lib/scm/plams/recipes/cshadf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,567 copying build/lib/scm/plams/recipes/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,568 copying build/lib/scm/plams/recipes/numgrad.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,570 copying build/lib/scm/plams/recipes/adfcosmorscompound.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,573 copying build/lib/scm/plams/recipes/numhess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,576 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/md 2025-01-08T12:01:59,577 copying build/lib/scm/plams/recipes/md/trajectoryanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-01-08T12:01:59,581 copying build/lib/scm/plams/recipes/md/scandensity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-01-08T12:01:59,583 copying build/lib/scm/plams/recipes/md/nvespawner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-01-08T12:01:59,585 copying build/lib/scm/plams/recipes/md/equilibratedensity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-01-08T12:01:59,588 copying build/lib/scm/plams/recipes/md/movingrestraints.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-01-08T12:01:59,590 copying build/lib/scm/plams/recipes/md/amsmdjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-01-08T12:01:59,594 copying build/lib/scm/plams/recipes/md/greenkuboviscosity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-01-08T12:01:59,597 copying build/lib/scm/plams/recipes/md/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-01-08T12:01:59,599 copying build/lib/scm/plams/recipes/global_minimum.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-01-08T12:01:59,602 running install_egg_info 2025-01-08T12:01:59,639 running egg_info 2025-01-08T12:01:59,668 writing plams.egg-info/PKG-INFO 2025-01-08T12:01:59,673 writing dependency_links to plams.egg-info/dependency_links.txt 2025-01-08T12:01:59,676 writing requirements to plams.egg-info/requires.txt 2025-01-08T12:01:59,678 writing top-level names to plams.egg-info/top_level.txt 2025-01-08T12:01:59,730 reading manifest file 'plams.egg-info/SOURCES.txt' 2025-01-08T12:01:59,741 adding license file 'LICENSE.md' 2025-01-08T12:01:59,754 writing manifest file 'plams.egg-info/SOURCES.txt' 2025-01-08T12:01:59,756 Copying plams.egg-info to build/bdist.linux-armv7l/wheel/./plams-2024.106-py3.11.egg-info 2025-01-08T12:01:59,768 running install_scripts 2025-01-08T12:01:59,770 creating build/bdist.linux-armv7l/wheel/plams-2024.106.data/scripts 2025-01-08T12:01:59,772 copying build/scripts-3.11/plams -> build/bdist.linux-armv7l/wheel/plams-2024.106.data/scripts 2025-01-08T12:01:59,774 changing mode of build/bdist.linux-armv7l/wheel/plams-2024.106.data/scripts/plams to 755 2025-01-08T12:01:59,796 creating build/bdist.linux-armv7l/wheel/plams-2024.106.dist-info/WHEEL 2025-01-08T12:01:59,799 creating '/tmp/pip-wheel-pl1w_shp/plams-2024.106-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-01-08T12:01:59,803 adding 'plams-2024.106.data/scripts/plams' 2025-01-08T12:01:59,807 adding 'scm/plams/.flake8' 2025-01-08T12:01:59,809 adding 'scm/plams/__init__.py' 2025-01-08T12:01:59,811 adding 'scm/plams/plams_defaults' 2025-01-08T12:01:59,812 adding 'scm/plams/version.py' 2025-01-08T12:01:59,814 adding 'scm/plams/core/__init__.py' 2025-01-08T12:01:59,820 adding 'scm/plams/core/basejob.py' 2025-01-08T12:01:59,822 adding 'scm/plams/core/errors.py' 2025-01-08T12:01:59,825 adding 'scm/plams/core/functions.py' 2025-01-08T12:01:59,828 adding 'scm/plams/core/jobmanager.py' 2025-01-08T12:01:59,831 adding 'scm/plams/core/jobrunner.py' 2025-01-08T12:01:59,833 adding 'scm/plams/core/private.py' 2025-01-08T12:01:59,837 adding 'scm/plams/core/results.py' 2025-01-08T12:01:59,845 adding 'scm/plams/core/settings.py' 2025-01-08T12:01:59,848 adding 'scm/plams/examples/AMSMDJob.py' 2025-01-08T12:01:59,850 adding 'scm/plams/examples/AMSPlumedMD.py' 2025-01-08T12:01:59,851 adding 'scm/plams/examples/ASECalculator.py' 2025-01-08T12:01:59,853 adding 'scm/plams/examples/BAND_NiO_HubbardU.py' 2025-01-08T12:01:59,855 adding 'scm/plams/examples/BasicMDPostanalysis.py' 2025-01-08T12:01:59,856 adding 'scm/plams/examples/BasisSetBenchmark.py' 2025-01-08T12:01:59,858 adding 'scm/plams/examples/ChargeTransferIntegralsADF.py' 2025-01-08T12:01:59,860 adding 'scm/plams/examples/ConformersGeneration.py' 2025-01-08T12:01:59,861 adding 'scm/plams/examples/ConvertToAMSRKFTrajectory.py' 2025-01-08T12:01:59,863 adding 'scm/plams/examples/CustomASECalculator.py' 2025-01-08T12:01:59,865 adding 'scm/plams/examples/ExcitationsWorkflow.py' 2025-01-08T12:01:59,866 adding 'scm/plams/examples/He2DissociationCurve.py' 2025-01-08T12:01:59,868 adding 'scm/plams/examples/M3GNet.py' 2025-01-08T12:01:59,871 adding 'scm/plams/examples/ManyJobsInParallel.py' 2025-01-08T12:01:59,872 adding 'scm/plams/examples/MoleculeSubstitution.py' 2025-01-08T12:01:59,874 adding 'scm/plams/examples/MoleculesFromRKFTrajectory.py' 2025-01-08T12:01:59,876 adding 'scm/plams/examples/MoleculesTable.py' 2025-01-08T12:01:59,879 adding 'scm/plams/examples/PackMol.py' 2025-01-08T12:01:59,881 adding 'scm/plams/examples/PropertyPrediction.py' 2025-01-08T12:01:59,882 adding 'scm/plams/examples/QE_AMS_AFM_HubbardU.py' 2025-01-08T12:01:59,885 adding 'scm/plams/examples/ReactionEnergyBenchmark.py' 2025-01-08T12:01:59,887 adding 'scm/plams/examples/ReductionOxidationPotentials.py' 2025-01-08T12:01:59,888 adding 'scm/plams/examples/ReorganizationEnergy.py' 2025-01-08T12:01:59,890 adding 'scm/plams/examples/SellaTransitionStateSearch.py' 2025-01-08T12:01:59,892 adding 'scm/plams/examples/TuningRangeSeparation.py' 2025-01-08T12:01:59,893 adding 'scm/plams/examples/UseLowestEnergy.py' 2025-01-08T12:01:59,895 adding 'scm/plams/examples/WaterOptimization.py' 2025-01-08T12:01:59,897 adding 'scm/plams/examples/ams_crs.py' 2025-01-08T12:01:59,898 adding 'scm/plams/examples/get_charged_ions.py' 2025-01-08T12:01:59,900 adding 'scm/plams/examples/get_hbonds.py' 2025-01-08T12:01:59,902 adding 'scm/plams/examples/get_ionic_conductivity.py' 2025-01-08T12:01:59,903 adding 'scm/plams/examples/get_irspectrum.py' 2025-01-08T12:01:59,904 adding 'scm/plams/examples/get_water_indices.py' 2025-01-08T12:01:59,906 adding 'scm/plams/examples/ir_spectrum_from_md.py' 2025-01-08T12:01:59,908 adding 'scm/plams/examples/molecules_ReactionEnergyBenchmark.zip' 2025-01-08T12:01:59,910 adding 'scm/plams/examples/plot_correlation.py' 2025-01-08T12:01:59,911 adding 'scm/plams/examples/reuse_forcefieldparams.py' 2025-01-08T12:01:59,913 adding 'scm/plams/examples/rkf_to_wrapped_dcd.py' 2025-01-08T12:01:59,914 adding 'scm/plams/examples/xrd.py' 2025-01-08T12:01:59,916 adding 'scm/plams/interfaces/__init__.py' 2025-01-08T12:01:59,917 adding 'scm/plams/interfaces/adfsuite/__init__.py' 2025-01-08T12:01:59,919 adding 'scm/plams/interfaces/adfsuite/adf.py' 2025-01-08T12:01:59,935 adding 'scm/plams/interfaces/adfsuite/ams.py' 2025-01-08T12:01:59,938 adding 'scm/plams/interfaces/adfsuite/amsanalysis.py' 2025-01-08T12:01:59,939 adding 'scm/plams/interfaces/adfsuite/amspipeerror.py' 2025-01-08T12:01:59,947 adding 'scm/plams/interfaces/adfsuite/amsworker.py' 2025-01-08T12:01:59,950 adding 'scm/plams/interfaces/adfsuite/ase_calculator.py' 2025-01-08T12:01:59,951 adding 'scm/plams/interfaces/adfsuite/band.py' 2025-01-08T12:01:59,954 adding 'scm/plams/interfaces/adfsuite/crs.py' 2025-01-08T12:01:59,955 adding 'scm/plams/interfaces/adfsuite/densf.py' 2025-01-08T12:01:59,956 adding 'scm/plams/interfaces/adfsuite/dftb.py' 2025-01-08T12:01:59,958 adding 'scm/plams/interfaces/adfsuite/fcf.py' 2025-01-08T12:01:59,959 adding 'scm/plams/interfaces/adfsuite/forcefieldparams.py' 2025-01-08T12:01:59,961 adding 'scm/plams/interfaces/adfsuite/inputparser.py' 2025-01-08T12:01:59,962 adding 'scm/plams/interfaces/adfsuite/mopac.py' 2025-01-08T12:01:59,964 adding 'scm/plams/interfaces/adfsuite/quickjobs.py' 2025-01-08T12:01:59,966 adding 'scm/plams/interfaces/adfsuite/reaxff.py' 2025-01-08T12:01:59,969 adding 'scm/plams/interfaces/adfsuite/scmjob.py' 2025-01-08T12:01:59,970 adding 'scm/plams/interfaces/adfsuite/uff.py' 2025-01-08T12:01:59,972 adding 'scm/plams/interfaces/adfsuite/unifac.py' 2025-01-08T12:01:59,974 adding 'scm/plams/interfaces/molecule/__init__.py' 2025-01-08T12:01:59,975 adding 'scm/plams/interfaces/molecule/ase.py' 2025-01-08T12:01:59,979 adding 'scm/plams/interfaces/molecule/packmol.py' 2025-01-08T12:01:59,985 adding 'scm/plams/interfaces/molecule/rdkit.py' 2025-01-08T12:01:59,988 adding 'scm/plams/interfaces/thirdparty/__init__.py' 2025-01-08T12:01:59,991 adding 'scm/plams/interfaces/thirdparty/cp2k.py' 2025-01-08T12:01:59,993 adding 'scm/plams/interfaces/thirdparty/crystal.py' 2025-01-08T12:01:59,995 adding 'scm/plams/interfaces/thirdparty/dftbplus.py' 2025-01-08T12:01:59,997 adding 'scm/plams/interfaces/thirdparty/dirac.py' 2025-01-08T12:01:59,999 adding 'scm/plams/interfaces/thirdparty/gamess.py' 2025-01-08T12:02:00,002 adding 'scm/plams/interfaces/thirdparty/orca.py' 2025-01-08T12:02:00,005 adding 'scm/plams/interfaces/thirdparty/raspa.py' 2025-01-08T12:02:00,007 adding 'scm/plams/interfaces/thirdparty/vasp.py' 2025-01-08T12:02:00,010 adding 'scm/plams/mol/__init__.py' 2025-01-08T12:02:00,012 adding 'scm/plams/mol/atom.py' 2025-01-08T12:02:00,014 adding 'scm/plams/mol/bond.py' 2025-01-08T12:02:00,015 adding 'scm/plams/mol/context.py' 2025-01-08T12:02:00,017 adding 'scm/plams/mol/identify.py' 2025-01-08T12:02:00,037 adding 'scm/plams/mol/molecule.py' 2025-01-08T12:02:00,040 adding 'scm/plams/mol/pdbtools.py' 2025-01-08T12:02:00,041 adding 'scm/plams/recipes/__init__.py' 2025-01-08T12:02:00,044 adding 'scm/plams/recipes/adfcosmorscompound.py' 2025-01-08T12:02:00,046 adding 'scm/plams/recipes/adfcosmorsconformers.py' 2025-01-08T12:02:00,047 adding 'scm/plams/recipes/adffragment.py' 2025-01-08T12:02:00,048 adding 'scm/plams/recipes/adfnbo.py' 2025-01-08T12:02:00,050 adding 'scm/plams/recipes/ams_crs.py' 2025-01-08T12:02:00,052 adding 'scm/plams/recipes/counterpoise.py' 2025-01-08T12:02:00,054 adding 'scm/plams/recipes/cshadf.py' 2025-01-08T12:02:00,055 adding 'scm/plams/recipes/fcf_dos.py' 2025-01-08T12:02:00,057 adding 'scm/plams/recipes/global_minimum.py' 2025-01-08T12:02:00,059 adding 'scm/plams/recipes/numgrad.py' 2025-01-08T12:02:00,060 adding 'scm/plams/recipes/numhess.py' 2025-01-08T12:02:00,063 adding 'scm/plams/recipes/ox_potential.py' 2025-01-08T12:02:00,065 adding 'scm/plams/recipes/redox.py' 2025-01-08T12:02:00,067 adding 'scm/plams/recipes/redox_defaults.py' 2025-01-08T12:02:00,069 adding 'scm/plams/recipes/redox_potential.py' 2025-01-08T12:02:00,070 adding 'scm/plams/recipes/reorganization_energy.py' 2025-01-08T12:02:00,072 adding 'scm/plams/recipes/md/__init__.py' 2025-01-08T12:02:00,075 adding 'scm/plams/recipes/md/amsmdjob.py' 2025-01-08T12:02:00,076 adding 'scm/plams/recipes/md/equilibratedensity.py' 2025-01-08T12:02:00,078 adding 'scm/plams/recipes/md/greenkuboviscosity.py' 2025-01-08T12:02:00,080 adding 'scm/plams/recipes/md/movingrestraints.py' 2025-01-08T12:02:00,082 adding 'scm/plams/recipes/md/nvespawner.py' 2025-01-08T12:02:00,083 adding 'scm/plams/recipes/md/scandensity.py' 2025-01-08T12:02:00,086 adding 'scm/plams/recipes/md/trajectoryanalysis.py' 2025-01-08T12:02:00,087 adding 'scm/plams/recipes/pestools/__init__.py' 2025-01-08T12:02:00,089 adding 'scm/plams/recipes/pestools/optimizer.py' 2025-01-08T12:02:00,091 adding 'scm/plams/recipes/ts/__init__.py' 2025-01-08T12:02:00,094 adding 'scm/plams/recipes/ts/reaction_boost_workflow.py' 2025-01-08T12:02:00,096 adding 'scm/plams/tools/__init__.py' 2025-01-08T12:02:00,098 adding 'scm/plams/tools/converters.py' 2025-01-08T12:02:00,100 adding 'scm/plams/tools/geometry.py' 2025-01-08T12:02:00,104 adding 'scm/plams/tools/kftools.py' 2025-01-08T12:02:00,106 adding 'scm/plams/tools/periodic_table.py' 2025-01-08T12:02:00,108 adding 'scm/plams/tools/plot.py' 2025-01-08T12:02:00,109 adding 'scm/plams/tools/postprocess_results.py' 2025-01-08T12:02:00,111 adding 'scm/plams/tools/reaction_energies.py' 2025-01-08T12:02:00,113 adding 'scm/plams/tools/units.py' 2025-01-08T12:02:00,115 adding 'scm/plams/trajectories/__init__.py' 2025-01-08T12:02:00,116 adding 'scm/plams/trajectories/analysis.py' 2025-01-08T12:02:00,118 adding 'scm/plams/trajectories/dcdfile.py' 2025-01-08T12:02:00,124 adding 'scm/plams/trajectories/rkffile.py' 2025-01-08T12:02:00,128 adding 'scm/plams/trajectories/rkfhistoryfile.py' 2025-01-08T12:02:00,131 adding 'scm/plams/trajectories/sdffile.py' 2025-01-08T12:02:00,132 adding 'scm/plams/trajectories/sdfhistoryfile.py' 2025-01-08T12:02:00,135 adding 'scm/plams/trajectories/trajectory.py' 2025-01-08T12:02:00,138 adding 'scm/plams/trajectories/trajectoryfile.py' 2025-01-08T12:02:00,140 adding 'scm/plams/trajectories/xyzfile.py' 2025-01-08T12:02:00,142 adding 'scm/plams/trajectories/xyzhistoryfile.py' 2025-01-08T12:02:00,144 adding 'scm/plams/unit_tests/__init__.py' 2025-01-08T12:02:00,146 adding 'scm/plams/unit_tests/conftest.py' 2025-01-08T12:02:00,147 adding 'scm/plams/unit_tests/test_ASECalculator.py' 2025-01-08T12:02:00,148 adding 'scm/plams/unit_tests/test_amsjob.py' 2025-01-08T12:02:00,150 adding 'scm/plams/unit_tests/test_helpers.py' 2025-01-08T12:02:00,151 adding 'scm/plams/unit_tests/test_identify_CO_6.py' 2025-01-08T12:02:00,153 adding 'scm/plams/unit_tests/test_identify_CO_flat4.py' 2025-01-08T12:02:00,154 adding 'scm/plams/unit_tests/test_identify_EZ.py' 2025-01-08T12:02:00,156 adding 'scm/plams/unit_tests/test_identify_RS.py' 2025-01-08T12:02:00,157 adding 'scm/plams/unit_tests/test_identify_basic.py' 2025-01-08T12:02:00,159 adding 'scm/plams/unit_tests/test_inputparser.py' 2025-01-08T12:02:00,161 adding 'scm/plams/unit_tests/test_interfaces.py' 2025-01-08T12:02:00,163 adding 'scm/plams/unit_tests/test_molecule.py' 2025-01-08T12:02:00,165 adding 'scm/plams/unit_tests/test_smiles.py' 2025-01-08T12:02:00,167 adding 'scm/plams/unit_tests/test_version.py' 2025-01-08T12:02:00,169 adding 'scm/plams/unit_tests/xyz/CO_6_1.xyz' 2025-01-08T12:02:00,171 adding 'scm/plams/unit_tests/xyz/CO_6_2.xyz' 2025-01-08T12:02:00,172 adding 'scm/plams/unit_tests/xyz/CO_6_3.xyz' 2025-01-08T12:02:00,174 adding 'scm/plams/unit_tests/xyz/CO_6_4.xyz' 2025-01-08T12:02:00,175 adding 'scm/plams/unit_tests/xyz/CO_6_5.xyz' 2025-01-08T12:02:00,177 adding 'scm/plams/unit_tests/xyz/CO_flat4_1.xyz' 2025-01-08T12:02:00,178 adding 'scm/plams/unit_tests/xyz/CO_flat4_2.xyz' 2025-01-08T12:02:00,180 adding 'scm/plams/unit_tests/xyz/CO_flat4_3.xyz' 2025-01-08T12:02:00,182 adding 'scm/plams/unit_tests/xyz/CO_flat4_4.xyz' 2025-01-08T12:02:00,183 adding 'scm/plams/unit_tests/xyz/EZ1.xyz' 2025-01-08T12:02:00,184 adding 'scm/plams/unit_tests/xyz/EZ2.xyz' 2025-01-08T12:02:00,186 adding 'scm/plams/unit_tests/xyz/RS1.xyz' 2025-01-08T12:02:00,187 adding 'scm/plams/unit_tests/xyz/RS2.xyz' 2025-01-08T12:02:00,189 adding 'scm/plams/unit_tests/xyz/benzene.xyz' 2025-01-08T12:02:00,191 adding 'scm/plams/unit_tests/xyz/chlorophyl1.xyz' 2025-01-08T12:02:00,193 adding 'scm/plams/unit_tests/xyz/chlorophyl2.xyz' 2025-01-08T12:02:00,195 adding 'scm/plams/unit_tests/xyz/multiple_mols_in_xyz.xyz' 2025-01-08T12:02:00,196 adding 'plams-2024.106.dist-info/LICENSE.md' 2025-01-08T12:02:00,198 adding 'plams-2024.106.dist-info/METADATA' 2025-01-08T12:02:00,199 adding 'plams-2024.106.dist-info/WHEEL' 2025-01-08T12:02:00,200 adding 'plams-2024.106.dist-info/top_level.txt' 2025-01-08T12:02:00,204 adding 'plams-2024.106.dist-info/RECORD' 2025-01-08T12:02:00,212 removing build/bdist.linux-armv7l/wheel 2025-01-08T12:02:00,374 Building wheel for plams (setup.py): finished with status 'done' 2025-01-08T12:02:00,382 Created wheel for plams: filename=plams-2024.106-py3-none-any.whl size=474898 sha256=15cc444b65980305a1ce7be435e9969e3ebd2f237ca0e0f7c748c5031c6f8201 2025-01-08T12:02:00,384 Stored in directory: /tmp/pip-ephem-wheel-cache-v0lodh7o/wheels/87/ca/f9/aa2e22f6f2429f3e1140cf1e693e7b58c1d285bb4e212a7d0f 2025-01-08T12:02:00,399 Successfully built plams 2025-01-08T12:02:00,418 Removed build tracker: '/tmp/pip-build-tracker-z8lmb9kc'