2025-08-31T19:25:43,384 Created temporary directory: /tmp/pip-build-tracker-hz_1i72o 2025-08-31T19:25:43,385 Initialized build tracking at /tmp/pip-build-tracker-hz_1i72o 2025-08-31T19:25:43,385 Created build tracker: /tmp/pip-build-tracker-hz_1i72o 2025-08-31T19:25:43,386 Entered build tracker: /tmp/pip-build-tracker-hz_1i72o 2025-08-31T19:25:43,386 Created temporary directory: /tmp/pip-wheel-4_p5f7i2 2025-08-31T19:25:43,390 Created temporary directory: /tmp/pip-ephem-wheel-cache-fiab983m 2025-08-31T19:25:43,438 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-08-31T19:25:43,440 2 location(s) to search for versions of plams: 2025-08-31T19:25:43,440 * https://pypi.org/simple/plams/ 2025-08-31T19:25:43,440 * https://www.piwheels.org/simple/plams/ 2025-08-31T19:25:43,441 Fetching project page and analyzing links: https://pypi.org/simple/plams/ 2025-08-31T19:25:43,442 Getting page https://pypi.org/simple/plams/ 2025-08-31T19:25:43,444 Found index url https://pypi.org/simple/ 2025-08-31T19:25:43,727 Fetched page https://pypi.org/simple/plams/ as application/vnd.pypi.simple.v1+json 2025-08-31T19:25:43,730 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/) 2025-08-31T19:25:43,731 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 2025-08-31T19:25:43,732 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) 2025-08-31T19:25:43,733 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 2025-08-31T19:25:43,734 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) 2025-08-31T19:25:43,734 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 2025-08-31T19:25:43,735 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) 2025-08-31T19:25:43,735 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 2025-08-31T19:25:43,736 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) 2025-08-31T19:25:43,736 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 2025-08-31T19:25:43,737 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) 2025-08-31T19:25:43,738 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 2025-08-31T19:25:43,738 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) 2025-08-31T19:25:43,739 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 2025-08-31T19:25:43,739 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) 2025-08-31T19:25:43,740 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 2025-08-31T19:25:43,740 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/0f/e2/2fd6ecd3f0f4bc68c4942fc180c9d04e19713cc45fd758bad442279b7f31/plams-2024.107-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2025-08-31T19:25:43,741 Found link https://files.pythonhosted.org/packages/84/45/9c7b13bf22c930f0e831eab061d1067b46b7060ba1e5b16c2c5a203a9a3e/plams-2024.107.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 2024.107 2025-08-31T19:25:43,742 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/0b/5c/74cb0f0a1b61db95ff04ee7e116be4f121ad6532e74819d55d6d2bb43f24/plams-2025.101-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.8) 2025-08-31T19:25:43,742 Found link https://files.pythonhosted.org/packages/df/55/e85fa9f3a95911e995083728ad7c4a64469abd356649a99e4b94d2e8dd50/plams-2025.101.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.8), version: 2025.101 2025-08-31T19:25:43,743 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/19/28/7a0a80927644d15f2961e2f9f8c9fe34d95d4ebc3431b9c3c48affc15bd6/plams-2025.102-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.8) 2025-08-31T19:25:43,744 Found link https://files.pythonhosted.org/packages/17/60/b606dbbba850621de05ad5fdede7c2a796cad5dd781b0f5e01ce0bfc1329/plams-2025.102.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.8), version: 2025.102 2025-08-31T19:25:43,744 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/22/03/ee4aa26921c2f6000d19c22ed032f71238ac0ee4ce4a4c4fd2324f8dccfc/plams-2025.103-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.8) 2025-08-31T19:25:43,745 Found link https://files.pythonhosted.org/packages/5d/83/a75d28b92e17c18368eff2f6380ee406c0515bccb84685182178421c4463/plams-2025.103.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.8), version: 2025.103 2025-08-31T19:25:43,746 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/9d/18/3a6cf3c6348b334b3e0e5228b8a8b97946b3859f01df7a9fcdc52970f8d4/plams-2025.104-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.8) 2025-08-31T19:25:43,746 Found link https://files.pythonhosted.org/packages/65/4e/27a4ea0cad07e090632ba7aac8cacca2cd480b432f66e7f9bb93e94fe147/plams-2025.104.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.8), version: 2025.104 2025-08-31T19:25:43,747 Fetching project page and analyzing links: https://www.piwheels.org/simple/plams/ 2025-08-31T19:25:43,748 Getting page https://www.piwheels.org/simple/plams/ 2025-08-31T19:25:43,749 Found index url https://www.piwheels.org/simple/ 2025-08-31T19:25:43,921 Fetched page https://www.piwheels.org/simple/plams/ as text/html 2025-08-31T19:25:43,924 Skipping link: No binaries permitted for plams: https://archive1.piwheels.org/simple/plams/plams-2025.103-py3-none-any.whl#sha256=d2f7767ac551c2503460b06ad8476265471a57ce88739dde52a5939f52d4d257 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.8) 2025-08-31T19:25:43,925 Skipping link: No binaries permitted for plams: https://archive1.piwheels.org/simple/plams/plams-2025.102-py3-none-any.whl#sha256=77bc8caba3f9adeec04cd63a5c20bf63742c58c2e6474bd1906f6aab4d2d3239 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.8) 2025-08-31T19:25:43,926 Skipping link: No binaries permitted for plams: https://archive1.piwheels.org/simple/plams/plams-2025.101-py3-none-any.whl#sha256=b6a7a750155d67e567992a254456945c4fe67933f59a468bde21722951551e04 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.8) 2025-08-31T19:25:43,926 Skipping link: No binaries permitted for plams: https://archive1.piwheels.org/simple/plams/plams-2024.106-py3-none-any.whl#sha256=15cc444b65980305a1ce7be435e9969e3ebd2f237ca0e0f7c748c5031c6f8201 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2025-08-31T19:25:43,927 Skipping link: No binaries permitted for plams: https://archive1.piwheels.org/simple/plams/plams-2024.105-py3-none-any.whl#sha256=13ae27a0bdd3b625abc8cf91d163942a0cd14d95df7ff99670012fbd0e654643 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2025-08-31T19:25:43,927 Skipping link: No binaries permitted for plams: https://archive1.piwheels.org/simple/plams/plams-2024.104-py3-none-any.whl#sha256=82edea31d74f7b7c8f9c10f499470bf0989331b27e70dbe03a630b7d4ae55494 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2025-08-31T19:25:43,927 Skipping link: No binaries permitted for plams: https://archive1.piwheels.org/simple/plams/plams-2024.103-py3-none-any.whl#sha256=c0deabba55dbd9050ef76f2ffea02c45937a127675471500076dd889f4f7ce63 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2025-08-31T19:25:43,928 Skipping link: No binaries permitted for plams: https://archive1.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) 2025-08-31T19:25:43,929 Skipping link: No binaries permitted for plams: https://archive1.piwheels.org/simple/plams/plams-1.5-py3-none-any.whl#sha256=754632be4c436b80914dabb1b2304bb8ff267cb6a3a3d34300598a1a86fc71c1 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2025-08-31T19:25:43,929 Skipping link: No binaries permitted for plams: https://archive1.piwheels.org/simple/plams/plams-1.4-py3-none-any.whl#sha256=99e8c03ce64c241bd4d1c3dcac7400148d62ad5bed921a2ce412944d578428d2 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2025-08-31T19:25:43,930 Skipping link: No binaries permitted for plams: https://archive1.piwheels.org/simple/plams/PLAMS-1.1.1-py2.py3-none-any.whl#sha256=2aa6ca4e0638b7809047cdd03b0b0926c29be2cb8ffde8bc341d316551a0012c (from https://www.piwheels.org/simple/plams/) 2025-08-31T19:25:43,930 Skipping link: not a file: https://www.piwheels.org/simple/plams/ 2025-08-31T19:25:43,931 Skipping link: not a file: https://pypi.org/simple/plams/ 2025-08-31T19:25:43,949 Given no hashes to check 1 links for project 'plams': discarding no candidates 2025-08-31T19:25:43,952 Collecting plams==2024.107 2025-08-31T19:25:43,954 Created temporary directory: /tmp/pip-unpack-5qus36gy 2025-08-31T19:25:44,198 Downloading plams-2024.107.tar.gz (402 kB) 2025-08-31T19:25:44,680 Added plams==2024.107 from https://files.pythonhosted.org/packages/84/45/9c7b13bf22c930f0e831eab061d1067b46b7060ba1e5b16c2c5a203a9a3e/plams-2024.107.tar.gz to build tracker '/tmp/pip-build-tracker-hz_1i72o' 2025-08-31T19:25:44,683 Running setup.py (path:/tmp/pip-wheel-4_p5f7i2/plams_4914891b611c48cda67a8aef7c5f3c7e/setup.py) egg_info for package plams 2025-08-31T19:25:44,684 Created temporary directory: /tmp/pip-pip-egg-info-e_sidj9_ 2025-08-31T19:25:44,684 Preparing metadata (setup.py): started 2025-08-31T19:25:44,686 Running command python setup.py egg_info 2025-08-31T19:25:45,574 /usr/local/lib/python3.11/dist-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2025-08-31T19:25:45,574 !! 2025-08-31T19:25:45,575 ******************************************************************************** 2025-08-31T19:25:45,576 Please consider removing the following classifiers in favor of a SPDX license expression: 2025-08-31T19:25:45,577 License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3) 2025-08-31T19:25:45,578 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-08-31T19:25:45,578 ******************************************************************************** 2025-08-31T19:25:45,579 !! 2025-08-31T19:25:45,580 self._finalize_license_expression() 2025-08-31T19:25:45,604 running egg_info 2025-08-31T19:25:45,631 creating /tmp/pip-pip-egg-info-e_sidj9_/plams.egg-info 2025-08-31T19:25:45,632 writing /tmp/pip-pip-egg-info-e_sidj9_/plams.egg-info/PKG-INFO 2025-08-31T19:25:45,637 writing dependency_links to /tmp/pip-pip-egg-info-e_sidj9_/plams.egg-info/dependency_links.txt 2025-08-31T19:25:45,639 writing requirements to /tmp/pip-pip-egg-info-e_sidj9_/plams.egg-info/requires.txt 2025-08-31T19:25:45,641 writing top-level names to /tmp/pip-pip-egg-info-e_sidj9_/plams.egg-info/top_level.txt 2025-08-31T19:25:45,642 writing manifest file '/tmp/pip-pip-egg-info-e_sidj9_/plams.egg-info/SOURCES.txt' 2025-08-31T19:25:45,781 reading manifest file '/tmp/pip-pip-egg-info-e_sidj9_/plams.egg-info/SOURCES.txt' 2025-08-31T19:25:45,782 adding license file 'LICENSE.md' 2025-08-31T19:25:45,790 writing manifest file '/tmp/pip-pip-egg-info-e_sidj9_/plams.egg-info/SOURCES.txt' 2025-08-31T19:25:45,898 Preparing metadata (setup.py): finished with status 'done' 2025-08-31T19:25:45,902 Source in /tmp/pip-wheel-4_p5f7i2/plams_4914891b611c48cda67a8aef7c5f3c7e has version 2024.107, which satisfies requirement plams==2024.107 from https://files.pythonhosted.org/packages/84/45/9c7b13bf22c930f0e831eab061d1067b46b7060ba1e5b16c2c5a203a9a3e/plams-2024.107.tar.gz 2025-08-31T19:25:45,903 Removed plams==2024.107 from https://files.pythonhosted.org/packages/84/45/9c7b13bf22c930f0e831eab061d1067b46b7060ba1e5b16c2c5a203a9a3e/plams-2024.107.tar.gz from build tracker '/tmp/pip-build-tracker-hz_1i72o' 2025-08-31T19:25:45,910 Created temporary directory: /tmp/pip-unpack-tgpfdwhd 2025-08-31T19:25:45,911 Created temporary directory: /tmp/pip-unpack-q964s_eg 2025-08-31T19:25:45,912 Building wheels for collected packages: plams 2025-08-31T19:25:45,916 Created temporary directory: /tmp/pip-wheel-_4je7caa 2025-08-31T19:25:45,917 DEPRECATION: Building 'plams' using the legacy setup.py bdist_wheel mechanism, which will be removed in a future version. pip 25.3 will enforce this behaviour change. A possible replacement is to use the standardized build interface by setting the `--use-pep517` option, (possibly combined with `--no-build-isolation`), or adding a `pyproject.toml` file to the source tree of 'plams'. Discussion can be found at https://github.com/pypa/pip/issues/6334 2025-08-31T19:25:45,918 Building wheel for plams (setup.py): started 2025-08-31T19:25:45,920 Destination directory: /tmp/pip-wheel-_4je7caa 2025-08-31T19:25:45,920 Running command python setup.py bdist_wheel 2025-08-31T19:25:46,781 /usr/local/lib/python3.11/dist-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2025-08-31T19:25:46,781 !! 2025-08-31T19:25:46,782 ******************************************************************************** 2025-08-31T19:25:46,783 Please consider removing the following classifiers in favor of a SPDX license expression: 2025-08-31T19:25:46,784 License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3) 2025-08-31T19:25:46,785 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-08-31T19:25:46,786 ******************************************************************************** 2025-08-31T19:25:46,787 !! 2025-08-31T19:25:46,788 self._finalize_license_expression() 2025-08-31T19:25:46,788 running bdist_wheel 2025-08-31T19:25:46,916 running build 2025-08-31T19:25:46,917 running build_py 2025-08-31T19:25:46,947 creating build/lib/scm/plams 2025-08-31T19:25:46,950 copying ./version.py -> build/lib/scm/plams 2025-08-31T19:25:46,952 copying ./__init__.py -> build/lib/scm/plams 2025-08-31T19:25:46,955 creating build/lib/scm/plams/mol 2025-08-31T19:25:46,956 copying ./mol/molecule.py -> build/lib/scm/plams/mol 2025-08-31T19:25:46,961 copying ./mol/identify.py -> build/lib/scm/plams/mol 2025-08-31T19:25:46,964 copying ./mol/context.py -> build/lib/scm/plams/mol 2025-08-31T19:25:46,966 copying ./mol/bond.py -> build/lib/scm/plams/mol 2025-08-31T19:25:46,968 copying ./mol/__init__.py -> build/lib/scm/plams/mol 2025-08-31T19:25:46,970 copying ./mol/atom.py -> build/lib/scm/plams/mol 2025-08-31T19:25:46,972 copying ./mol/pdbtools.py -> build/lib/scm/plams/mol 2025-08-31T19:25:46,975 creating build/lib/scm/plams/tools 2025-08-31T19:25:46,976 copying ./tools/units.py -> build/lib/scm/plams/tools 2025-08-31T19:25:46,979 copying ./tools/converters.py -> build/lib/scm/plams/tools 2025-08-31T19:25:46,982 copying ./tools/geometry.py -> build/lib/scm/plams/tools 2025-08-31T19:25:46,985 copying ./tools/reaction_energies.py -> build/lib/scm/plams/tools 2025-08-31T19:25:46,987 copying ./tools/postprocess_results.py -> build/lib/scm/plams/tools 2025-08-31T19:25:46,989 copying ./tools/periodic_table.py -> build/lib/scm/plams/tools 2025-08-31T19:25:46,991 copying ./tools/plot.py -> build/lib/scm/plams/tools 2025-08-31T19:25:46,994 copying ./tools/kftools.py -> build/lib/scm/plams/tools 2025-08-31T19:25:46,997 copying ./tools/__init__.py -> build/lib/scm/plams/tools 2025-08-31T19:25:46,999 creating build/lib/scm/plams/core 2025-08-31T19:25:47,000 copying ./core/settings.py -> build/lib/scm/plams/core 2025-08-31T19:25:47,003 copying ./core/jobmanager.py -> build/lib/scm/plams/core 2025-08-31T19:25:47,005 copying ./core/results.py -> build/lib/scm/plams/core 2025-08-31T19:25:47,008 copying ./core/jobrunner.py -> build/lib/scm/plams/core 2025-08-31T19:25:47,011 copying ./core/__init__.py -> build/lib/scm/plams/core 2025-08-31T19:25:47,013 copying ./core/private.py -> build/lib/scm/plams/core 2025-08-31T19:25:47,015 copying ./core/basejob.py -> build/lib/scm/plams/core 2025-08-31T19:25:47,018 copying ./core/errors.py -> build/lib/scm/plams/core 2025-08-31T19:25:47,019 copying ./core/functions.py -> build/lib/scm/plams/core 2025-08-31T19:25:47,023 creating build/lib/scm/plams/recipes 2025-08-31T19:25:47,024 copying ./recipes/ams_crs.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,026 copying ./recipes/redox.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,029 copying ./recipes/redox_defaults.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,031 copying ./recipes/global_minimum.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,033 copying ./recipes/adfcosmorsconformers.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,035 copying ./recipes/numhess.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,037 copying ./recipes/reorganization_energy.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,039 copying ./recipes/adffragment.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,041 copying ./recipes/adfnbo.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,043 copying ./recipes/adfcosmorscompound.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,046 copying ./recipes/numgrad.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,048 copying ./recipes/__init__.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,049 copying ./recipes/cshadf.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,053 copying ./recipes/fcf_dos.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,055 copying ./recipes/counterpoise.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,058 copying ./recipes/ox_potential.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,060 copying ./recipes/redox_potential.py -> build/lib/scm/plams/recipes 2025-08-31T19:25:47,063 creating build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,064 copying ./unit_tests/test_identify_CO_6.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,067 copying ./unit_tests/test_identify_basic.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,069 copying ./unit_tests/conftest.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,070 copying ./unit_tests/test_inputparser.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,073 copying ./unit_tests/test_molecule.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,075 copying ./unit_tests/test_ASECalculator.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,077 copying ./unit_tests/test_version.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,079 copying ./unit_tests/test_amsjob.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,081 copying ./unit_tests/test_interfaces.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,083 copying ./unit_tests/test_identify_EZ.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,085 copying ./unit_tests/test_identify_RS.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,087 copying ./unit_tests/test_smiles.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,089 copying ./unit_tests/__init__.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,091 copying ./unit_tests/test_identify_CO_flat4.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,093 copying ./unit_tests/test_helpers.py -> build/lib/scm/plams/unit_tests 2025-08-31T19:25:47,096 creating build/lib/scm/plams/trajectories 2025-08-31T19:25:47,097 copying ./trajectories/xyzhistoryfile.py -> build/lib/scm/plams/trajectories 2025-08-31T19:25:47,099 copying ./trajectories/trajectoryfile.py -> build/lib/scm/plams/trajectories 2025-08-31T19:25:47,102 copying ./trajectories/sdffile.py -> build/lib/scm/plams/trajectories 2025-08-31T19:25:47,104 copying ./trajectories/analysis.py -> build/lib/scm/plams/trajectories 2025-08-31T19:25:47,106 copying ./trajectories/sdfhistoryfile.py -> build/lib/scm/plams/trajectories 2025-08-31T19:25:47,108 copying ./trajectories/trajectory.py -> build/lib/scm/plams/trajectories 2025-08-31T19:25:47,111 copying ./trajectories/__init__.py -> build/lib/scm/plams/trajectories 2025-08-31T19:25:47,112 copying ./trajectories/rkfhistoryfile.py -> build/lib/scm/plams/trajectories 2025-08-31T19:25:47,115 copying ./trajectories/xyzfile.py -> build/lib/scm/plams/trajectories 2025-08-31T19:25:47,117 copying ./trajectories/dcdfile.py -> build/lib/scm/plams/trajectories 2025-08-31T19:25:47,120 copying ./trajectories/rkffile.py -> build/lib/scm/plams/trajectories 2025-08-31T19:25:47,124 creating build/lib/scm/plams/interfaces 2025-08-31T19:25:47,125 copying ./interfaces/__init__.py -> build/lib/scm/plams/interfaces 2025-08-31T19:25:47,127 creating build/lib/scm/plams/recipes/md 2025-08-31T19:25:47,128 copying ./recipes/md/nvespawner.py -> build/lib/scm/plams/recipes/md 2025-08-31T19:25:47,130 copying ./recipes/md/movingrestraints.py -> build/lib/scm/plams/recipes/md 2025-08-31T19:25:47,132 copying ./recipes/md/equilibratedensity.py -> build/lib/scm/plams/recipes/md 2025-08-31T19:25:47,134 copying ./recipes/md/scandensity.py -> build/lib/scm/plams/recipes/md 2025-08-31T19:25:47,136 copying ./recipes/md/__init__.py -> build/lib/scm/plams/recipes/md 2025-08-31T19:25:47,138 copying ./recipes/md/trajectoryanalysis.py -> build/lib/scm/plams/recipes/md 2025-08-31T19:25:47,140 copying ./recipes/md/amsmdjob.py -> build/lib/scm/plams/recipes/md 2025-08-31T19:25:47,143 copying ./recipes/md/greenkuboviscosity.py -> build/lib/scm/plams/recipes/md 2025-08-31T19:25:47,146 creating build/lib/scm/plams/recipes/pestools 2025-08-31T19:25:47,147 copying ./recipes/pestools/optimizer.py -> build/lib/scm/plams/recipes/pestools 2025-08-31T19:25:47,150 copying ./recipes/pestools/__init__.py -> build/lib/scm/plams/recipes/pestools 2025-08-31T19:25:47,152 creating build/lib/scm/plams/recipes/ts 2025-08-31T19:25:47,153 copying ./recipes/ts/reaction_boost_workflow.py -> build/lib/scm/plams/recipes/ts 2025-08-31T19:25:47,156 copying ./recipes/ts/__init__.py -> build/lib/scm/plams/recipes/ts 2025-08-31T19:25:47,158 creating build/lib/scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,159 copying ./interfaces/thirdparty/dirac.py -> build/lib/scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,161 copying ./interfaces/thirdparty/dftbplus.py -> build/lib/scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,163 copying ./interfaces/thirdparty/raspa.py -> build/lib/scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,166 copying ./interfaces/thirdparty/orca.py -> build/lib/scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,168 copying ./interfaces/thirdparty/crystal.py -> build/lib/scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,170 copying ./interfaces/thirdparty/vasp.py -> build/lib/scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,173 copying ./interfaces/thirdparty/__init__.py -> build/lib/scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,174 copying ./interfaces/thirdparty/cp2k.py -> build/lib/scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,177 copying ./interfaces/thirdparty/gamess.py -> build/lib/scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,179 creating build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,180 copying ./interfaces/adfsuite/amsanalysis.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,183 copying ./interfaces/adfsuite/ase_calculator.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,185 copying ./interfaces/adfsuite/ams.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,190 copying ./interfaces/adfsuite/unifac.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,192 copying ./interfaces/adfsuite/mopac.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,195 copying ./interfaces/adfsuite/densf.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,197 copying ./interfaces/adfsuite/uff.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,199 copying ./interfaces/adfsuite/quickjobs.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,201 copying ./interfaces/adfsuite/crs.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,204 copying ./interfaces/adfsuite/reaxff.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,206 copying ./interfaces/adfsuite/forcefieldparams.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,209 copying ./interfaces/adfsuite/__init__.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,210 copying ./interfaces/adfsuite/dftb.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,213 copying ./interfaces/adfsuite/scmjob.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,215 copying ./interfaces/adfsuite/amspipeerror.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,218 copying ./interfaces/adfsuite/adf.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,220 copying ./interfaces/adfsuite/amsworker.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,224 copying ./interfaces/adfsuite/fcf.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,226 copying ./interfaces/adfsuite/inputparser.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,228 copying ./interfaces/adfsuite/band.py -> build/lib/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,231 creating build/lib/scm/plams/interfaces/molecule 2025-08-31T19:25:47,232 copying ./interfaces/molecule/__init__.py -> build/lib/scm/plams/interfaces/molecule 2025-08-31T19:25:47,234 copying ./interfaces/molecule/rdkit.py -> build/lib/scm/plams/interfaces/molecule 2025-08-31T19:25:47,237 copying ./interfaces/molecule/packmol.py -> build/lib/scm/plams/interfaces/molecule 2025-08-31T19:25:47,240 copying ./interfaces/molecule/ase.py -> build/lib/scm/plams/interfaces/molecule 2025-08-31T19:25:47,255 copying ./.flake8 -> build/lib/scm/plams 2025-08-31T19:25:47,257 copying ./plams_defaults -> build/lib/scm/plams 2025-08-31T19:25:47,260 creating build/lib/scm/plams/examples 2025-08-31T19:25:47,261 copying ./examples/He2DissociationCurve.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,263 copying ./examples/ams_crs.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,265 copying ./examples/TuningRangeSeparation.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,268 copying ./examples/ManyJobsInParallel.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,270 copying ./examples/ReductionOxidationPotentials.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,273 copying ./examples/QE_AMS_AFM_HubbardU.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,275 copying ./examples/get_hbonds.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,277 copying ./examples/MoleculeSubstitution.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,279 copying ./examples/BAND_NiO_HubbardU.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,281 copying ./examples/ConvertToAMSRKFTrajectory.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,284 copying ./examples/ConformersGeneration.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,286 copying ./examples/xrd.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,288 copying ./examples/rkf_to_wrapped_dcd.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,290 copying ./examples/BasicMDPostanalysis.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,293 copying ./examples/PropertyPrediction.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,295 copying ./examples/PackMol.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,298 copying ./examples/ReorganizationEnergy.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,300 copying ./examples/AMSPlumedMD.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,302 copying ./examples/MoleculesFromRKFTrajectory.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,305 copying ./examples/SellaTransitionStateSearch.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,307 copying ./examples/molecules_ReactionEnergyBenchmark.zip -> build/lib/scm/plams/examples 2025-08-31T19:25:47,310 copying ./examples/BasisSetBenchmark.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,312 copying ./examples/AMSMDJob.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,314 copying ./examples/ChargeTransferIntegralsADF.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,317 copying ./examples/get_ionic_conductivity.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,319 copying ./examples/ExcitationsWorkflow.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,321 copying ./examples/CustomASECalculator.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,324 copying ./examples/WaterOptimization.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,326 copying ./examples/UseLowestEnergy.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,329 copying ./examples/get_irspectrum.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,332 copying ./examples/reuse_forcefieldparams.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,334 copying ./examples/ASECalculator.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,337 copying ./examples/MoleculesTable.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,340 copying ./examples/get_water_indices.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,342 copying ./examples/ReactionEnergyBenchmark.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,345 copying ./examples/ir_spectrum_from_md.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,347 copying ./examples/get_charged_ions.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,350 copying ./examples/plot_correlation.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,353 copying ./examples/M3GNet.py -> build/lib/scm/plams/examples 2025-08-31T19:25:47,361 creating build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,362 copying ./unit_tests/xyz/CO_6_2.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,364 copying ./unit_tests/xyz/multiple_mols_in_xyz.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,367 copying ./unit_tests/xyz/CO_flat4_3.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,369 copying ./unit_tests/xyz/CO_6_4.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,372 copying ./unit_tests/xyz/chlorophyl2.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,374 copying ./unit_tests/xyz/CO_6_1.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,376 copying ./unit_tests/xyz/CO_flat4_2.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,378 copying ./unit_tests/xyz/CO_flat4_1.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,381 copying ./unit_tests/xyz/benzene.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,383 copying ./unit_tests/xyz/chlorophyl1.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,385 copying ./unit_tests/xyz/CO_6_5.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,388 copying ./unit_tests/xyz/RS1.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,390 copying ./unit_tests/xyz/CO_6_3.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,392 copying ./unit_tests/xyz/CO_flat4_4.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,395 copying ./unit_tests/xyz/EZ1.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,397 copying ./unit_tests/xyz/RS2.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,399 copying ./unit_tests/xyz/EZ2.xyz -> build/lib/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,410 running build_scripts 2025-08-31T19:25:47,410 creating build/scripts-3.11 2025-08-31T19:25:47,411 copying and adjusting scripts/plams -> build/scripts-3.11 2025-08-31T19:25:47,413 changing mode of build/scripts-3.11/plams from 644 to 755 2025-08-31T19:25:47,440 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2025-08-31T19:25:47,441 !! 2025-08-31T19:25:47,442 ******************************************************************************** 2025-08-31T19:25:47,443 Please avoid running ``setup.py`` directly. 2025-08-31T19:25:47,443 Instead, use pypa/build, pypa/installer or other 2025-08-31T19:25:47,444 standards-based tools. 2025-08-31T19:25:47,445 By 2025-Oct-31, you need to update your project and remove deprecated calls 2025-08-31T19:25:47,445 or your builds will no longer be supported. 2025-08-31T19:25:47,446 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2025-08-31T19:25:47,447 ******************************************************************************** 2025-08-31T19:25:47,448 !! 2025-08-31T19:25:47,449 self.initialize_options() 2025-08-31T19:25:47,470 installing to build/bdist.linux-armv7l/wheel 2025-08-31T19:25:47,470 running install 2025-08-31T19:25:47,494 running install_lib 2025-08-31T19:25:47,521 creating build/bdist.linux-armv7l/wheel 2025-08-31T19:25:47,523 creating build/bdist.linux-armv7l/wheel/scm 2025-08-31T19:25:47,525 creating build/bdist.linux-armv7l/wheel/scm/plams 2025-08-31T19:25:47,526 copying build/lib/scm/plams/version.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2025-08-31T19:25:47,528 copying build/lib/scm/plams/plams_defaults -> build/bdist.linux-armv7l/wheel/./scm/plams 2025-08-31T19:25:47,531 creating build/bdist.linux-armv7l/wheel/scm/plams/examples 2025-08-31T19:25:47,532 copying build/lib/scm/plams/examples/He2DissociationCurve.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,535 copying build/lib/scm/plams/examples/ams_crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,537 copying build/lib/scm/plams/examples/TuningRangeSeparation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,539 copying build/lib/scm/plams/examples/ManyJobsInParallel.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,541 copying build/lib/scm/plams/examples/ReductionOxidationPotentials.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,543 copying build/lib/scm/plams/examples/QE_AMS_AFM_HubbardU.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,545 copying build/lib/scm/plams/examples/get_hbonds.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,547 copying build/lib/scm/plams/examples/MoleculeSubstitution.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,549 copying build/lib/scm/plams/examples/BAND_NiO_HubbardU.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,551 copying build/lib/scm/plams/examples/ConvertToAMSRKFTrajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,553 copying build/lib/scm/plams/examples/ConformersGeneration.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,555 copying build/lib/scm/plams/examples/xrd.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,557 copying build/lib/scm/plams/examples/rkf_to_wrapped_dcd.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,559 copying build/lib/scm/plams/examples/BasicMDPostanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,561 copying build/lib/scm/plams/examples/PropertyPrediction.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,564 copying build/lib/scm/plams/examples/PackMol.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,566 copying build/lib/scm/plams/examples/ReorganizationEnergy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,568 copying build/lib/scm/plams/examples/AMSPlumedMD.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,570 copying build/lib/scm/plams/examples/MoleculesFromRKFTrajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,573 copying build/lib/scm/plams/examples/SellaTransitionStateSearch.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,575 copying build/lib/scm/plams/examples/molecules_ReactionEnergyBenchmark.zip -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,577 copying build/lib/scm/plams/examples/BasisSetBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,579 copying build/lib/scm/plams/examples/AMSMDJob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,580 copying build/lib/scm/plams/examples/ChargeTransferIntegralsADF.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,582 copying build/lib/scm/plams/examples/get_ionic_conductivity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,584 copying build/lib/scm/plams/examples/ExcitationsWorkflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,586 copying build/lib/scm/plams/examples/CustomASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,588 copying build/lib/scm/plams/examples/WaterOptimization.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,590 copying build/lib/scm/plams/examples/UseLowestEnergy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,593 copying build/lib/scm/plams/examples/get_irspectrum.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,595 copying build/lib/scm/plams/examples/reuse_forcefieldparams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,596 copying build/lib/scm/plams/examples/ASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,598 copying build/lib/scm/plams/examples/MoleculesTable.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,600 copying build/lib/scm/plams/examples/get_water_indices.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,602 copying build/lib/scm/plams/examples/ReactionEnergyBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,604 copying build/lib/scm/plams/examples/ir_spectrum_from_md.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,606 copying build/lib/scm/plams/examples/get_charged_ions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,609 copying build/lib/scm/plams/examples/plot_correlation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,611 copying build/lib/scm/plams/examples/M3GNet.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2025-08-31T19:25:47,613 creating build/bdist.linux-armv7l/wheel/scm/plams/mol 2025-08-31T19:25:47,614 copying build/lib/scm/plams/mol/molecule.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-08-31T19:25:47,619 copying build/lib/scm/plams/mol/identify.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-08-31T19:25:47,622 copying build/lib/scm/plams/mol/context.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-08-31T19:25:47,625 copying build/lib/scm/plams/mol/bond.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-08-31T19:25:47,627 copying build/lib/scm/plams/mol/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-08-31T19:25:47,629 copying build/lib/scm/plams/mol/atom.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-08-31T19:25:47,631 copying build/lib/scm/plams/mol/pdbtools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2025-08-31T19:25:47,634 creating build/bdist.linux-armv7l/wheel/scm/plams/tools 2025-08-31T19:25:47,635 copying build/lib/scm/plams/tools/units.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-08-31T19:25:47,637 copying build/lib/scm/plams/tools/converters.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-08-31T19:25:47,640 copying build/lib/scm/plams/tools/geometry.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-08-31T19:25:47,642 copying build/lib/scm/plams/tools/reaction_energies.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-08-31T19:25:47,644 copying build/lib/scm/plams/tools/postprocess_results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-08-31T19:25:47,646 copying build/lib/scm/plams/tools/periodic_table.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-08-31T19:25:47,649 copying build/lib/scm/plams/tools/plot.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-08-31T19:25:47,651 copying build/lib/scm/plams/tools/kftools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-08-31T19:25:47,654 copying build/lib/scm/plams/tools/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2025-08-31T19:25:47,656 creating build/bdist.linux-armv7l/wheel/scm/plams/core 2025-08-31T19:25:47,657 copying build/lib/scm/plams/core/settings.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-08-31T19:25:47,660 copying build/lib/scm/plams/core/jobmanager.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-08-31T19:25:47,662 copying build/lib/scm/plams/core/results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-08-31T19:25:47,665 copying build/lib/scm/plams/core/jobrunner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-08-31T19:25:47,667 copying build/lib/scm/plams/core/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-08-31T19:25:47,669 copying build/lib/scm/plams/core/private.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-08-31T19:25:47,671 copying build/lib/scm/plams/core/basejob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-08-31T19:25:47,673 copying build/lib/scm/plams/core/errors.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-08-31T19:25:47,675 copying build/lib/scm/plams/core/functions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2025-08-31T19:25:47,678 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes 2025-08-31T19:25:47,679 copying build/lib/scm/plams/recipes/ams_crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,681 copying build/lib/scm/plams/recipes/redox.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,684 copying build/lib/scm/plams/recipes/redox_defaults.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,686 copying build/lib/scm/plams/recipes/global_minimum.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,688 copying build/lib/scm/plams/recipes/adfcosmorsconformers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,690 copying build/lib/scm/plams/recipes/numhess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,692 copying build/lib/scm/plams/recipes/reorganization_energy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,694 copying build/lib/scm/plams/recipes/adffragment.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,695 copying build/lib/scm/plams/recipes/adfnbo.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,698 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/md 2025-08-31T19:25:47,699 copying build/lib/scm/plams/recipes/md/nvespawner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-08-31T19:25:47,701 copying build/lib/scm/plams/recipes/md/movingrestraints.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-08-31T19:25:47,703 copying build/lib/scm/plams/recipes/md/equilibratedensity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-08-31T19:25:47,705 copying build/lib/scm/plams/recipes/md/scandensity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-08-31T19:25:47,707 copying build/lib/scm/plams/recipes/md/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-08-31T19:25:47,708 copying build/lib/scm/plams/recipes/md/trajectoryanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-08-31T19:25:47,711 copying build/lib/scm/plams/recipes/md/amsmdjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-08-31T19:25:47,713 copying build/lib/scm/plams/recipes/md/greenkuboviscosity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2025-08-31T19:25:47,715 copying build/lib/scm/plams/recipes/adfcosmorscompound.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,718 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/pestools 2025-08-31T19:25:47,719 copying build/lib/scm/plams/recipes/pestools/optimizer.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/pestools 2025-08-31T19:25:47,722 copying build/lib/scm/plams/recipes/pestools/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/pestools 2025-08-31T19:25:47,724 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/ts 2025-08-31T19:25:47,725 copying build/lib/scm/plams/recipes/ts/reaction_boost_workflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/ts 2025-08-31T19:25:47,728 copying build/lib/scm/plams/recipes/ts/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/ts 2025-08-31T19:25:47,729 copying build/lib/scm/plams/recipes/numgrad.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,731 copying build/lib/scm/plams/recipes/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,733 copying build/lib/scm/plams/recipes/cshadf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,735 copying build/lib/scm/plams/recipes/fcf_dos.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,737 copying build/lib/scm/plams/recipes/counterpoise.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,739 copying build/lib/scm/plams/recipes/ox_potential.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,742 copying build/lib/scm/plams/recipes/redox_potential.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2025-08-31T19:25:47,745 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests 2025-08-31T19:25:47,746 copying build/lib/scm/plams/unit_tests/test_identify_CO_6.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,748 copying build/lib/scm/plams/unit_tests/test_identify_basic.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,749 copying build/lib/scm/plams/unit_tests/conftest.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,751 copying build/lib/scm/plams/unit_tests/test_inputparser.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,753 copying build/lib/scm/plams/unit_tests/test_molecule.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,755 copying build/lib/scm/plams/unit_tests/test_ASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,757 copying build/lib/scm/plams/unit_tests/test_version.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,759 copying build/lib/scm/plams/unit_tests/test_amsjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,760 copying build/lib/scm/plams/unit_tests/test_interfaces.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,762 copying build/lib/scm/plams/unit_tests/test_identify_EZ.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,764 copying build/lib/scm/plams/unit_tests/test_identify_RS.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,766 copying build/lib/scm/plams/unit_tests/test_smiles.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,768 copying build/lib/scm/plams/unit_tests/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,769 copying build/lib/scm/plams/unit_tests/test_identify_CO_flat4.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,772 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/xyz 2025-08-31T19:25:47,773 copying build/lib/scm/plams/unit_tests/xyz/CO_6_2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,775 copying build/lib/scm/plams/unit_tests/xyz/multiple_mols_in_xyz.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,777 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_3.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,779 copying build/lib/scm/plams/unit_tests/xyz/CO_6_4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,781 copying build/lib/scm/plams/unit_tests/xyz/chlorophyl2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,783 copying build/lib/scm/plams/unit_tests/xyz/CO_6_1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,785 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,787 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,788 copying build/lib/scm/plams/unit_tests/xyz/benzene.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,790 copying build/lib/scm/plams/unit_tests/xyz/chlorophyl1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,792 copying build/lib/scm/plams/unit_tests/xyz/CO_6_5.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,794 copying build/lib/scm/plams/unit_tests/xyz/RS1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,796 copying build/lib/scm/plams/unit_tests/xyz/CO_6_3.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,797 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,799 copying build/lib/scm/plams/unit_tests/xyz/EZ1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,801 copying build/lib/scm/plams/unit_tests/xyz/RS2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,802 copying build/lib/scm/plams/unit_tests/xyz/EZ2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2025-08-31T19:25:47,804 copying build/lib/scm/plams/unit_tests/test_helpers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2025-08-31T19:25:47,806 copying build/lib/scm/plams/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2025-08-31T19:25:47,809 creating build/bdist.linux-armv7l/wheel/scm/plams/trajectories 2025-08-31T19:25:47,810 copying build/lib/scm/plams/trajectories/xyzhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-08-31T19:25:47,812 copying build/lib/scm/plams/trajectories/trajectoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-08-31T19:25:47,815 copying build/lib/scm/plams/trajectories/sdffile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-08-31T19:25:47,817 copying build/lib/scm/plams/trajectories/analysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-08-31T19:25:47,819 copying build/lib/scm/plams/trajectories/sdfhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-08-31T19:25:47,821 copying build/lib/scm/plams/trajectories/trajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-08-31T19:25:47,823 copying build/lib/scm/plams/trajectories/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-08-31T19:25:47,825 copying build/lib/scm/plams/trajectories/rkfhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-08-31T19:25:47,827 copying build/lib/scm/plams/trajectories/xyzfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-08-31T19:25:47,830 copying build/lib/scm/plams/trajectories/dcdfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-08-31T19:25:47,832 copying build/lib/scm/plams/trajectories/rkffile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2025-08-31T19:25:47,835 copying build/lib/scm/plams/.flake8 -> build/bdist.linux-armv7l/wheel/./scm/plams 2025-08-31T19:25:47,837 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces 2025-08-31T19:25:47,839 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,840 copying build/lib/scm/plams/interfaces/thirdparty/dirac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,842 copying build/lib/scm/plams/interfaces/thirdparty/dftbplus.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,845 copying build/lib/scm/plams/interfaces/thirdparty/raspa.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,847 copying build/lib/scm/plams/interfaces/thirdparty/orca.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,850 copying build/lib/scm/plams/interfaces/thirdparty/crystal.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,852 copying build/lib/scm/plams/interfaces/thirdparty/vasp.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,854 copying build/lib/scm/plams/interfaces/thirdparty/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,856 copying build/lib/scm/plams/interfaces/thirdparty/cp2k.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,858 copying build/lib/scm/plams/interfaces/thirdparty/gamess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2025-08-31T19:25:47,861 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,862 copying build/lib/scm/plams/interfaces/adfsuite/amsanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,864 copying build/lib/scm/plams/interfaces/adfsuite/ase_calculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,867 copying build/lib/scm/plams/interfaces/adfsuite/ams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,872 copying build/lib/scm/plams/interfaces/adfsuite/unifac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,874 copying build/lib/scm/plams/interfaces/adfsuite/mopac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,876 copying build/lib/scm/plams/interfaces/adfsuite/densf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,877 copying build/lib/scm/plams/interfaces/adfsuite/uff.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,879 copying build/lib/scm/plams/interfaces/adfsuite/quickjobs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,881 copying build/lib/scm/plams/interfaces/adfsuite/crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,884 copying build/lib/scm/plams/interfaces/adfsuite/reaxff.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,886 copying build/lib/scm/plams/interfaces/adfsuite/forcefieldparams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,889 copying build/lib/scm/plams/interfaces/adfsuite/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,890 copying build/lib/scm/plams/interfaces/adfsuite/dftb.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,892 copying build/lib/scm/plams/interfaces/adfsuite/scmjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,895 copying build/lib/scm/plams/interfaces/adfsuite/amspipeerror.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,897 copying build/lib/scm/plams/interfaces/adfsuite/adf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,899 copying build/lib/scm/plams/interfaces/adfsuite/amsworker.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,903 copying build/lib/scm/plams/interfaces/adfsuite/fcf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,905 copying build/lib/scm/plams/interfaces/adfsuite/inputparser.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,907 copying build/lib/scm/plams/interfaces/adfsuite/band.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2025-08-31T19:25:47,910 copying build/lib/scm/plams/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces 2025-08-31T19:25:47,912 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/molecule 2025-08-31T19:25:47,913 copying build/lib/scm/plams/interfaces/molecule/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2025-08-31T19:25:47,914 copying build/lib/scm/plams/interfaces/molecule/rdkit.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2025-08-31T19:25:47,918 copying build/lib/scm/plams/interfaces/molecule/packmol.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2025-08-31T19:25:47,921 copying build/lib/scm/plams/interfaces/molecule/ase.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2025-08-31T19:25:47,923 running install_egg_info 2025-08-31T19:25:47,956 running egg_info 2025-08-31T19:25:47,982 writing plams.egg-info/PKG-INFO 2025-08-31T19:25:47,986 writing dependency_links to plams.egg-info/dependency_links.txt 2025-08-31T19:25:47,989 writing requirements to plams.egg-info/requires.txt 2025-08-31T19:25:47,990 writing top-level names to plams.egg-info/top_level.txt 2025-08-31T19:25:48,062 reading manifest file 'plams.egg-info/SOURCES.txt' 2025-08-31T19:25:48,074 adding license file 'LICENSE.md' 2025-08-31T19:25:48,086 writing manifest file 'plams.egg-info/SOURCES.txt' 2025-08-31T19:25:48,088 Copying plams.egg-info to build/bdist.linux-armv7l/wheel/./plams-2024.107-py3.11.egg-info 2025-08-31T19:25:48,098 running install_scripts 2025-08-31T19:25:48,099 creating build/bdist.linux-armv7l/wheel/plams-2024.107.data/scripts 2025-08-31T19:25:48,101 copying build/scripts-3.11/plams -> build/bdist.linux-armv7l/wheel/plams-2024.107.data/scripts 2025-08-31T19:25:48,103 changing mode of build/bdist.linux-armv7l/wheel/plams-2024.107.data/scripts/plams to 755 2025-08-31T19:25:48,114 creating build/bdist.linux-armv7l/wheel/plams-2024.107.dist-info/WHEEL 2025-08-31T19:25:48,117 creating '/tmp/pip-wheel-_4je7caa/plams-2024.107-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-08-31T19:25:48,120 adding 'plams-2024.107.data/scripts/plams' 2025-08-31T19:25:48,122 adding 'plams-2024.107.dist-info/licenses/LICENSE.md' 2025-08-31T19:25:48,124 adding 'scm/plams/.flake8' 2025-08-31T19:25:48,127 adding 'scm/plams/__init__.py' 2025-08-31T19:25:48,128 adding 'scm/plams/plams_defaults' 2025-08-31T19:25:48,129 adding 'scm/plams/version.py' 2025-08-31T19:25:48,131 adding 'scm/plams/core/__init__.py' 2025-08-31T19:25:48,136 adding 'scm/plams/core/basejob.py' 2025-08-31T19:25:48,137 adding 'scm/plams/core/errors.py' 2025-08-31T19:25:48,140 adding 'scm/plams/core/functions.py' 2025-08-31T19:25:48,142 adding 'scm/plams/core/jobmanager.py' 2025-08-31T19:25:48,145 adding 'scm/plams/core/jobrunner.py' 2025-08-31T19:25:48,146 adding 'scm/plams/core/private.py' 2025-08-31T19:25:48,149 adding 'scm/plams/core/results.py' 2025-08-31T19:25:48,152 adding 'scm/plams/core/settings.py' 2025-08-31T19:25:48,154 adding 'scm/plams/examples/AMSMDJob.py' 2025-08-31T19:25:48,156 adding 'scm/plams/examples/AMSPlumedMD.py' 2025-08-31T19:25:48,157 adding 'scm/plams/examples/ASECalculator.py' 2025-08-31T19:25:48,158 adding 'scm/plams/examples/BAND_NiO_HubbardU.py' 2025-08-31T19:25:48,160 adding 'scm/plams/examples/BasicMDPostanalysis.py' 2025-08-31T19:25:48,161 adding 'scm/plams/examples/BasisSetBenchmark.py' 2025-08-31T19:25:48,162 adding 'scm/plams/examples/ChargeTransferIntegralsADF.py' 2025-08-31T19:25:48,164 adding 'scm/plams/examples/ConformersGeneration.py' 2025-08-31T19:25:48,165 adding 'scm/plams/examples/ConvertToAMSRKFTrajectory.py' 2025-08-31T19:25:48,166 adding 'scm/plams/examples/CustomASECalculator.py' 2025-08-31T19:25:48,168 adding 'scm/plams/examples/ExcitationsWorkflow.py' 2025-08-31T19:25:48,169 adding 'scm/plams/examples/He2DissociationCurve.py' 2025-08-31T19:25:48,170 adding 'scm/plams/examples/M3GNet.py' 2025-08-31T19:25:48,171 adding 'scm/plams/examples/ManyJobsInParallel.py' 2025-08-31T19:25:48,173 adding 'scm/plams/examples/MoleculeSubstitution.py' 2025-08-31T19:25:48,174 adding 'scm/plams/examples/MoleculesFromRKFTrajectory.py' 2025-08-31T19:25:48,176 adding 'scm/plams/examples/MoleculesTable.py' 2025-08-31T19:25:48,178 adding 'scm/plams/examples/PackMol.py' 2025-08-31T19:25:48,179 adding 'scm/plams/examples/PropertyPrediction.py' 2025-08-31T19:25:48,181 adding 'scm/plams/examples/QE_AMS_AFM_HubbardU.py' 2025-08-31T19:25:48,182 adding 'scm/plams/examples/ReactionEnergyBenchmark.py' 2025-08-31T19:25:48,183 adding 'scm/plams/examples/ReductionOxidationPotentials.py' 2025-08-31T19:25:48,185 adding 'scm/plams/examples/ReorganizationEnergy.py' 2025-08-31T19:25:48,186 adding 'scm/plams/examples/SellaTransitionStateSearch.py' 2025-08-31T19:25:48,187 adding 'scm/plams/examples/TuningRangeSeparation.py' 2025-08-31T19:25:48,189 adding 'scm/plams/examples/UseLowestEnergy.py' 2025-08-31T19:25:48,190 adding 'scm/plams/examples/WaterOptimization.py' 2025-08-31T19:25:48,192 adding 'scm/plams/examples/ams_crs.py' 2025-08-31T19:25:48,193 adding 'scm/plams/examples/get_charged_ions.py' 2025-08-31T19:25:48,195 adding 'scm/plams/examples/get_hbonds.py' 2025-08-31T19:25:48,196 adding 'scm/plams/examples/get_ionic_conductivity.py' 2025-08-31T19:25:48,197 adding 'scm/plams/examples/get_irspectrum.py' 2025-08-31T19:25:48,199 adding 'scm/plams/examples/get_water_indices.py' 2025-08-31T19:25:48,200 adding 'scm/plams/examples/ir_spectrum_from_md.py' 2025-08-31T19:25:48,202 adding 'scm/plams/examples/molecules_ReactionEnergyBenchmark.zip' 2025-08-31T19:25:48,203 adding 'scm/plams/examples/plot_correlation.py' 2025-08-31T19:25:48,205 adding 'scm/plams/examples/reuse_forcefieldparams.py' 2025-08-31T19:25:48,206 adding 'scm/plams/examples/rkf_to_wrapped_dcd.py' 2025-08-31T19:25:48,207 adding 'scm/plams/examples/xrd.py' 2025-08-31T19:25:48,209 adding 'scm/plams/interfaces/__init__.py' 2025-08-31T19:25:48,211 adding 'scm/plams/interfaces/adfsuite/__init__.py' 2025-08-31T19:25:48,212 adding 'scm/plams/interfaces/adfsuite/adf.py' 2025-08-31T19:25:48,228 adding 'scm/plams/interfaces/adfsuite/ams.py' 2025-08-31T19:25:48,231 adding 'scm/plams/interfaces/adfsuite/amsanalysis.py' 2025-08-31T19:25:48,232 adding 'scm/plams/interfaces/adfsuite/amspipeerror.py' 2025-08-31T19:25:48,240 adding 'scm/plams/interfaces/adfsuite/amsworker.py' 2025-08-31T19:25:48,242 adding 'scm/plams/interfaces/adfsuite/ase_calculator.py' 2025-08-31T19:25:48,244 adding 'scm/plams/interfaces/adfsuite/band.py' 2025-08-31T19:25:48,246 adding 'scm/plams/interfaces/adfsuite/crs.py' 2025-08-31T19:25:48,248 adding 'scm/plams/interfaces/adfsuite/densf.py' 2025-08-31T19:25:48,249 adding 'scm/plams/interfaces/adfsuite/dftb.py' 2025-08-31T19:25:48,250 adding 'scm/plams/interfaces/adfsuite/fcf.py' 2025-08-31T19:25:48,252 adding 'scm/plams/interfaces/adfsuite/forcefieldparams.py' 2025-08-31T19:25:48,254 adding 'scm/plams/interfaces/adfsuite/inputparser.py' 2025-08-31T19:25:48,255 adding 'scm/plams/interfaces/adfsuite/mopac.py' 2025-08-31T19:25:48,257 adding 'scm/plams/interfaces/adfsuite/quickjobs.py' 2025-08-31T19:25:48,259 adding 'scm/plams/interfaces/adfsuite/reaxff.py' 2025-08-31T19:25:48,262 adding 'scm/plams/interfaces/adfsuite/scmjob.py' 2025-08-31T19:25:48,263 adding 'scm/plams/interfaces/adfsuite/uff.py' 2025-08-31T19:25:48,265 adding 'scm/plams/interfaces/adfsuite/unifac.py' 2025-08-31T19:25:48,267 adding 'scm/plams/interfaces/molecule/__init__.py' 2025-08-31T19:25:48,269 adding 'scm/plams/interfaces/molecule/ase.py' 2025-08-31T19:25:48,272 adding 'scm/plams/interfaces/molecule/packmol.py' 2025-08-31T19:25:48,279 adding 'scm/plams/interfaces/molecule/rdkit.py' 2025-08-31T19:25:48,281 adding 'scm/plams/interfaces/thirdparty/__init__.py' 2025-08-31T19:25:48,284 adding 'scm/plams/interfaces/thirdparty/cp2k.py' 2025-08-31T19:25:48,286 adding 'scm/plams/interfaces/thirdparty/crystal.py' 2025-08-31T19:25:48,288 adding 'scm/plams/interfaces/thirdparty/dftbplus.py' 2025-08-31T19:25:48,289 adding 'scm/plams/interfaces/thirdparty/dirac.py' 2025-08-31T19:25:48,291 adding 'scm/plams/interfaces/thirdparty/gamess.py' 2025-08-31T19:25:48,293 adding 'scm/plams/interfaces/thirdparty/orca.py' 2025-08-31T19:25:48,295 adding 'scm/plams/interfaces/thirdparty/raspa.py' 2025-08-31T19:25:48,297 adding 'scm/plams/interfaces/thirdparty/vasp.py' 2025-08-31T19:25:48,299 adding 'scm/plams/mol/__init__.py' 2025-08-31T19:25:48,301 adding 'scm/plams/mol/atom.py' 2025-08-31T19:25:48,302 adding 'scm/plams/mol/bond.py' 2025-08-31T19:25:48,303 adding 'scm/plams/mol/context.py' 2025-08-31T19:25:48,306 adding 'scm/plams/mol/identify.py' 2025-08-31T19:25:48,325 adding 'scm/plams/mol/molecule.py' 2025-08-31T19:25:48,328 adding 'scm/plams/mol/pdbtools.py' 2025-08-31T19:25:48,329 adding 'scm/plams/recipes/__init__.py' 2025-08-31T19:25:48,332 adding 'scm/plams/recipes/adfcosmorscompound.py' 2025-08-31T19:25:48,333 adding 'scm/plams/recipes/adfcosmorsconformers.py' 2025-08-31T19:25:48,335 adding 'scm/plams/recipes/adffragment.py' 2025-08-31T19:25:48,336 adding 'scm/plams/recipes/adfnbo.py' 2025-08-31T19:25:48,338 adding 'scm/plams/recipes/ams_crs.py' 2025-08-31T19:25:48,339 adding 'scm/plams/recipes/counterpoise.py' 2025-08-31T19:25:48,341 adding 'scm/plams/recipes/cshadf.py' 2025-08-31T19:25:48,342 adding 'scm/plams/recipes/fcf_dos.py' 2025-08-31T19:25:48,344 adding 'scm/plams/recipes/global_minimum.py' 2025-08-31T19:25:48,345 adding 'scm/plams/recipes/numgrad.py' 2025-08-31T19:25:48,347 adding 'scm/plams/recipes/numhess.py' 2025-08-31T19:25:48,349 adding 'scm/plams/recipes/ox_potential.py' 2025-08-31T19:25:48,352 adding 'scm/plams/recipes/redox.py' 2025-08-31T19:25:48,353 adding 'scm/plams/recipes/redox_defaults.py' 2025-08-31T19:25:48,356 adding 'scm/plams/recipes/redox_potential.py' 2025-08-31T19:25:48,357 adding 'scm/plams/recipes/reorganization_energy.py' 2025-08-31T19:25:48,359 adding 'scm/plams/recipes/md/__init__.py' 2025-08-31T19:25:48,361 adding 'scm/plams/recipes/md/amsmdjob.py' 2025-08-31T19:25:48,363 adding 'scm/plams/recipes/md/equilibratedensity.py' 2025-08-31T19:25:48,365 adding 'scm/plams/recipes/md/greenkuboviscosity.py' 2025-08-31T19:25:48,366 adding 'scm/plams/recipes/md/movingrestraints.py' 2025-08-31T19:25:48,368 adding 'scm/plams/recipes/md/nvespawner.py' 2025-08-31T19:25:48,369 adding 'scm/plams/recipes/md/scandensity.py' 2025-08-31T19:25:48,371 adding 'scm/plams/recipes/md/trajectoryanalysis.py' 2025-08-31T19:25:48,373 adding 'scm/plams/recipes/pestools/__init__.py' 2025-08-31T19:25:48,375 adding 'scm/plams/recipes/pestools/optimizer.py' 2025-08-31T19:25:48,377 adding 'scm/plams/recipes/ts/__init__.py' 2025-08-31T19:25:48,380 adding 'scm/plams/recipes/ts/reaction_boost_workflow.py' 2025-08-31T19:25:48,382 adding 'scm/plams/tools/__init__.py' 2025-08-31T19:25:48,384 adding 'scm/plams/tools/converters.py' 2025-08-31T19:25:48,386 adding 'scm/plams/tools/geometry.py' 2025-08-31T19:25:48,390 adding 'scm/plams/tools/kftools.py' 2025-08-31T19:25:48,392 adding 'scm/plams/tools/periodic_table.py' 2025-08-31T19:25:48,394 adding 'scm/plams/tools/plot.py' 2025-08-31T19:25:48,395 adding 'scm/plams/tools/postprocess_results.py' 2025-08-31T19:25:48,397 adding 'scm/plams/tools/reaction_energies.py' 2025-08-31T19:25:48,399 adding 'scm/plams/tools/units.py' 2025-08-31T19:25:48,401 adding 'scm/plams/trajectories/__init__.py' 2025-08-31T19:25:48,402 adding 'scm/plams/trajectories/analysis.py' 2025-08-31T19:25:48,404 adding 'scm/plams/trajectories/dcdfile.py' 2025-08-31T19:25:48,410 adding 'scm/plams/trajectories/rkffile.py' 2025-08-31T19:25:48,414 adding 'scm/plams/trajectories/rkfhistoryfile.py' 2025-08-31T19:25:48,416 adding 'scm/plams/trajectories/sdffile.py' 2025-08-31T19:25:48,418 adding 'scm/plams/trajectories/sdfhistoryfile.py' 2025-08-31T19:25:48,420 adding 'scm/plams/trajectories/trajectory.py' 2025-08-31T19:25:48,423 adding 'scm/plams/trajectories/trajectoryfile.py' 2025-08-31T19:25:48,425 adding 'scm/plams/trajectories/xyzfile.py' 2025-08-31T19:25:48,427 adding 'scm/plams/trajectories/xyzhistoryfile.py' 2025-08-31T19:25:48,428 adding 'scm/plams/unit_tests/__init__.py' 2025-08-31T19:25:48,430 adding 'scm/plams/unit_tests/conftest.py' 2025-08-31T19:25:48,431 adding 'scm/plams/unit_tests/test_ASECalculator.py' 2025-08-31T19:25:48,432 adding 'scm/plams/unit_tests/test_amsjob.py' 2025-08-31T19:25:48,433 adding 'scm/plams/unit_tests/test_helpers.py' 2025-08-31T19:25:48,435 adding 'scm/plams/unit_tests/test_identify_CO_6.py' 2025-08-31T19:25:48,436 adding 'scm/plams/unit_tests/test_identify_CO_flat4.py' 2025-08-31T19:25:48,437 adding 'scm/plams/unit_tests/test_identify_EZ.py' 2025-08-31T19:25:48,438 adding 'scm/plams/unit_tests/test_identify_RS.py' 2025-08-31T19:25:48,439 adding 'scm/plams/unit_tests/test_identify_basic.py' 2025-08-31T19:25:48,441 adding 'scm/plams/unit_tests/test_inputparser.py' 2025-08-31T19:25:48,442 adding 'scm/plams/unit_tests/test_interfaces.py' 2025-08-31T19:25:48,444 adding 'scm/plams/unit_tests/test_molecule.py' 2025-08-31T19:25:48,445 adding 'scm/plams/unit_tests/test_smiles.py' 2025-08-31T19:25:48,446 adding 'scm/plams/unit_tests/test_version.py' 2025-08-31T19:25:48,448 adding 'scm/plams/unit_tests/xyz/CO_6_1.xyz' 2025-08-31T19:25:48,449 adding 'scm/plams/unit_tests/xyz/CO_6_2.xyz' 2025-08-31T19:25:48,451 adding 'scm/plams/unit_tests/xyz/CO_6_3.xyz' 2025-08-31T19:25:48,452 adding 'scm/plams/unit_tests/xyz/CO_6_4.xyz' 2025-08-31T19:25:48,453 adding 'scm/plams/unit_tests/xyz/CO_6_5.xyz' 2025-08-31T19:25:48,454 adding 'scm/plams/unit_tests/xyz/CO_flat4_1.xyz' 2025-08-31T19:25:48,456 adding 'scm/plams/unit_tests/xyz/CO_flat4_2.xyz' 2025-08-31T19:25:48,457 adding 'scm/plams/unit_tests/xyz/CO_flat4_3.xyz' 2025-08-31T19:25:48,458 adding 'scm/plams/unit_tests/xyz/CO_flat4_4.xyz' 2025-08-31T19:25:48,459 adding 'scm/plams/unit_tests/xyz/EZ1.xyz' 2025-08-31T19:25:48,460 adding 'scm/plams/unit_tests/xyz/EZ2.xyz' 2025-08-31T19:25:48,462 adding 'scm/plams/unit_tests/xyz/RS1.xyz' 2025-08-31T19:25:48,463 adding 'scm/plams/unit_tests/xyz/RS2.xyz' 2025-08-31T19:25:48,464 adding 'scm/plams/unit_tests/xyz/benzene.xyz' 2025-08-31T19:25:48,466 adding 'scm/plams/unit_tests/xyz/chlorophyl1.xyz' 2025-08-31T19:25:48,467 adding 'scm/plams/unit_tests/xyz/chlorophyl2.xyz' 2025-08-31T19:25:48,469 adding 'scm/plams/unit_tests/xyz/multiple_mols_in_xyz.xyz' 2025-08-31T19:25:48,470 adding 'plams-2024.107.dist-info/METADATA' 2025-08-31T19:25:48,471 adding 'plams-2024.107.dist-info/WHEEL' 2025-08-31T19:25:48,472 adding 'plams-2024.107.dist-info/top_level.txt' 2025-08-31T19:25:48,475 adding 'plams-2024.107.dist-info/RECORD' 2025-08-31T19:25:48,483 removing build/bdist.linux-armv7l/wheel 2025-08-31T19:25:48,640 Building wheel for plams (setup.py): finished with status 'done' 2025-08-31T19:25:48,647 Created wheel for plams: filename=plams-2024.107-py3-none-any.whl size=475335 sha256=b4aaf4b13cdc94caf881662129f8c6a70b219b86f8383dea7b5ab9be4f8ddbc5 2025-08-31T19:25:48,648 Stored in directory: /tmp/pip-ephem-wheel-cache-fiab983m/wheels/af/0e/92/fc65decc70321b25bccd0866bedb137f6fac8128e6fe9f04bf 2025-08-31T19:25:48,665 Successfully built plams 2025-08-31T19:25:48,685 Removed build tracker: '/tmp/pip-build-tracker-hz_1i72o'