2026-04-20T09:48:26,398 Created temporary directory: /tmp/pip-ephem-wheel-cache-pye9hoz6 2026-04-20T09:48:26,400 Created temporary directory: /tmp/pip-build-tracker-uaz_x_pp 2026-04-20T09:48:26,400 Initialized build tracking at /tmp/pip-build-tracker-uaz_x_pp 2026-04-20T09:48:26,401 Created build tracker: /tmp/pip-build-tracker-uaz_x_pp 2026-04-20T09:48:26,401 Entered build tracker: /tmp/pip-build-tracker-uaz_x_pp 2026-04-20T09:48:26,402 Created temporary directory: /tmp/pip-wheel-b1ic4_a8 2026-04-20T09:48:26,405 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2026-04-20T09:48:26,408 Created temporary directory: /tmp/pip-ephem-wheel-cache-5d5nt4wm 2026-04-20T09:48:26,429 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-04-20T09:48:26,433 2 location(s) to search for versions of plams: 2026-04-20T09:48:26,433 * https://pypi.org/simple/plams/ 2026-04-20T09:48:26,433 * https://www.piwheels.org/simple/plams/ 2026-04-20T09:48:26,434 Fetching project page and analyzing links: https://pypi.org/simple/plams/ 2026-04-20T09:48:26,434 Getting page https://pypi.org/simple/plams/ 2026-04-20T09:48:26,436 Found index url https://pypi.org/simple 2026-04-20T09:48:26,659 Fetched page https://pypi.org/simple/plams/ as application/vnd.pypi.simple.v1+json 2026-04-20T09:48:26,665 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/) 2026-04-20T09:48:26,666 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 2026-04-20T09:48:26,667 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) 2026-04-20T09:48:26,668 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 2026-04-20T09:48:26,669 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) 2026-04-20T09:48:26,669 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 2026-04-20T09:48:26,670 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) 2026-04-20T09:48:26,671 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 2026-04-20T09:48:26,672 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) 2026-04-20T09:48:26,673 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 2026-04-20T09:48:26,674 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) 2026-04-20T09:48:26,675 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 2026-04-20T09:48:26,676 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) 2026-04-20T09:48:26,677 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 2026-04-20T09:48:26,677 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) 2026-04-20T09:48:26,678 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 2026-04-20T09:48:26,679 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) 2026-04-20T09:48:26,680 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 2026-04-20T09:48:26,680 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) 2026-04-20T09:48:26,681 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 2026-04-20T09:48:26,682 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) 2026-04-20T09:48:26,683 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 2026-04-20T09:48:26,683 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) 2026-04-20T09:48:26,684 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 2026-04-20T09:48:26,685 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) 2026-04-20T09:48:26,686 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 2026-04-20T09:48:26,686 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/5a/d4/7bfbce4caeecce0948683376bd6972409fdda19fd4a4bdc6dbe4af221e6f/plams-2025.107-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.8) 2026-04-20T09:48:26,687 Found link https://files.pythonhosted.org/packages/9e/02/76ec3f58d46db0252f0b9ef1d138eba6a256ec1cedf68c2fc2ad402986c2/plams-2025.107.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.8), version: 2025.107 2026-04-20T09:48:26,688 Fetching project page and analyzing links: https://www.piwheels.org/simple/plams/ 2026-04-20T09:48:26,689 Getting page https://www.piwheels.org/simple/plams/ 2026-04-20T09:48:26,690 Found index url https://www.piwheels.org/simple 2026-04-20T09:48:26,858 Fetched page https://www.piwheels.org/simple/plams/ as text/html 2026-04-20T09:48:26,863 Skipping link: No binaries permitted for plams: https://archive1.piwheels.org/simple/plams/plams-2025.104-py3-none-any.whl#sha256=0b4a4ffba0a67ea0596f703854a0fad33f7bec5ca06447e713c5ab3e8fcb29fc (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.8) 2026-04-20T09:48:26,863 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) 2026-04-20T09:48:26,864 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) 2026-04-20T09:48:26,864 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) 2026-04-20T09:48:26,865 Skipping link: No binaries permitted for plams: https://archive1.piwheels.org/simple/plams/plams-2024.107-py3-none-any.whl#sha256=b4aaf4b13cdc94caf881662129f8c6a70b219b86f8383dea7b5ab9be4f8ddbc5 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2026-04-20T09:48:26,865 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) 2026-04-20T09:48:26,866 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) 2026-04-20T09:48:26,867 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) 2026-04-20T09:48:26,867 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) 2026-04-20T09:48:26,868 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) 2026-04-20T09:48:26,868 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) 2026-04-20T09:48:26,869 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) 2026-04-20T09:48:26,869 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/) 2026-04-20T09:48:26,870 Skipping link: not a file: https://www.piwheels.org/simple/plams/ 2026-04-20T09:48:26,870 Skipping link: not a file: https://pypi.org/simple/plams/ 2026-04-20T09:48:26,892 Given no hashes to check 1 links for project 'plams': discarding no candidates 2026-04-20T09:48:26,912 Collecting plams==2025.107 2026-04-20T09:48:26,914 Created temporary directory: /tmp/pip-unpack-a_rlqinq 2026-04-20T09:48:27,059 Downloading plams-2025.107.tar.gz (15.9 MB) 2026-04-20T09:48:29,996 Added plams==2025.107 from https://files.pythonhosted.org/packages/9e/02/76ec3f58d46db0252f0b9ef1d138eba6a256ec1cedf68c2fc2ad402986c2/plams-2025.107.tar.gz to build tracker '/tmp/pip-build-tracker-uaz_x_pp' 2026-04-20T09:48:30,001 Created temporary directory: /tmp/pip-build-env-dzldhgjt 2026-04-20T09:48:30,006 Installing build dependencies: started 2026-04-20T09:48:30,007 Running command pip subprocess to install build dependencies 2026-04-20T09:48:31,215 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2026-04-20T09:48:31,681 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2026-04-20T09:48:31,706 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-04-20T09:48:33,495 Collecting setuptools>=61.0 2026-04-20T09:48:33,574 Using cached https://www.piwheels.org/simple/setuptools/setuptools-82.0.1-py3-none-any.whl (1.0 MB) 2026-04-20T09:48:36,551 Installing collected packages: setuptools 2026-04-20T09:48:39,633 Successfully installed setuptools-82.0.1 2026-04-20T09:48:39,914 Installing build dependencies: finished with status 'done' 2026-04-20T09:48:39,923 Getting requirements to build wheel: started 2026-04-20T09:48:39,925 Running command Getting requirements to build wheel 2026-04-20T09:48:40,549 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-04-20T09:48:40,549 !! 2026-04-20T09:48:40,550 ******************************************************************************** 2026-04-20T09:48:40,551 Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0). 2026-04-20T09:48:40,553 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-04-20T09:48:40,553 or your builds will no longer be supported. 2026-04-20T09:48:40,555 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-20T09:48:40,556 ******************************************************************************** 2026-04-20T09:48:40,557 !! 2026-04-20T09:48:40,558 corresp(dist, value, root_dir) 2026-04-20T09:48:40,630 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-04-20T09:48:40,630 !! 2026-04-20T09:48:40,632 ******************************************************************************** 2026-04-20T09:48:40,632 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-04-20T09:48:40,633 License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3) 2026-04-20T09:48:40,634 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-20T09:48:40,634 ******************************************************************************** 2026-04-20T09:48:40,635 !! 2026-04-20T09:48:40,636 dist._finalize_license_expression() 2026-04-20T09:48:40,636 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-04-20T09:48:40,637 !! 2026-04-20T09:48:40,638 ******************************************************************************** 2026-04-20T09:48:40,638 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-04-20T09:48:40,639 License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3) 2026-04-20T09:48:40,640 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-20T09:48:40,641 ******************************************************************************** 2026-04-20T09:48:40,642 !! 2026-04-20T09:48:40,642 self._finalize_license_expression() 2026-04-20T09:48:40,643 running egg_info 2026-04-20T09:48:40,649 writing plams.egg-info/PKG-INFO 2026-04-20T09:48:40,659 writing dependency_links to plams.egg-info/dependency_links.txt 2026-04-20T09:48:40,665 writing requirements to plams.egg-info/requires.txt 2026-04-20T09:48:40,666 writing top-level names to plams.egg-info/top_level.txt 2026-04-20T09:48:40,775 reading manifest file 'plams.egg-info/SOURCES.txt' 2026-04-20T09:48:40,810 adding license file 'LICENSE.md' 2026-04-20T09:48:40,836 writing manifest file 'plams.egg-info/SOURCES.txt' 2026-04-20T09:48:40,935 Getting requirements to build wheel: finished with status 'done' 2026-04-20T09:48:40,938 Created temporary directory: /tmp/pip-modern-metadata-68ij4zkb 2026-04-20T09:48:40,941 Preparing metadata (pyproject.toml): started 2026-04-20T09:48:40,942 Running command Preparing metadata (pyproject.toml) 2026-04-20T09:48:41,514 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-04-20T09:48:41,515 !! 2026-04-20T09:48:41,516 ******************************************************************************** 2026-04-20T09:48:41,517 Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0). 2026-04-20T09:48:41,518 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-04-20T09:48:41,518 or your builds will no longer be supported. 2026-04-20T09:48:41,520 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-20T09:48:41,520 ******************************************************************************** 2026-04-20T09:48:41,521 !! 2026-04-20T09:48:41,522 corresp(dist, value, root_dir) 2026-04-20T09:48:41,595 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-04-20T09:48:41,595 !! 2026-04-20T09:48:41,596 ******************************************************************************** 2026-04-20T09:48:41,597 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-04-20T09:48:41,599 License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3) 2026-04-20T09:48:41,599 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-20T09:48:41,600 ******************************************************************************** 2026-04-20T09:48:41,601 !! 2026-04-20T09:48:41,601 dist._finalize_license_expression() 2026-04-20T09:48:41,602 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-04-20T09:48:41,602 !! 2026-04-20T09:48:41,603 ******************************************************************************** 2026-04-20T09:48:41,604 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-04-20T09:48:41,605 License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3) 2026-04-20T09:48:41,606 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-20T09:48:41,606 ******************************************************************************** 2026-04-20T09:48:41,607 !! 2026-04-20T09:48:41,608 self._finalize_license_expression() 2026-04-20T09:48:41,608 running dist_info 2026-04-20T09:48:41,617 creating /tmp/pip-modern-metadata-68ij4zkb/plams.egg-info 2026-04-20T09:48:41,618 writing /tmp/pip-modern-metadata-68ij4zkb/plams.egg-info/PKG-INFO 2026-04-20T09:48:41,628 writing dependency_links to /tmp/pip-modern-metadata-68ij4zkb/plams.egg-info/dependency_links.txt 2026-04-20T09:48:41,634 writing requirements to /tmp/pip-modern-metadata-68ij4zkb/plams.egg-info/requires.txt 2026-04-20T09:48:41,635 writing top-level names to /tmp/pip-modern-metadata-68ij4zkb/plams.egg-info/top_level.txt 2026-04-20T09:48:41,637 writing manifest file '/tmp/pip-modern-metadata-68ij4zkb/plams.egg-info/SOURCES.txt' 2026-04-20T09:48:41,724 reading manifest file '/tmp/pip-modern-metadata-68ij4zkb/plams.egg-info/SOURCES.txt' 2026-04-20T09:48:41,726 adding license file 'LICENSE.md' 2026-04-20T09:48:41,739 writing manifest file '/tmp/pip-modern-metadata-68ij4zkb/plams.egg-info/SOURCES.txt' 2026-04-20T09:48:41,740 creating '/tmp/pip-modern-metadata-68ij4zkb/plams-2025.107.dist-info' 2026-04-20T09:48:41,862 Preparing metadata (pyproject.toml): finished with status 'done' 2026-04-20T09:48:41,867 Source in /tmp/pip-wheel-b1ic4_a8/plams_40532dedee3f46b296c2e410da1e74fa has version 2025.107, which satisfies requirement plams==2025.107 from https://files.pythonhosted.org/packages/9e/02/76ec3f58d46db0252f0b9ef1d138eba6a256ec1cedf68c2fc2ad402986c2/plams-2025.107.tar.gz 2026-04-20T09:48:41,868 Removed plams==2025.107 from https://files.pythonhosted.org/packages/9e/02/76ec3f58d46db0252f0b9ef1d138eba6a256ec1cedf68c2fc2ad402986c2/plams-2025.107.tar.gz from build tracker '/tmp/pip-build-tracker-uaz_x_pp' 2026-04-20T09:48:41,875 Created temporary directory: /tmp/pip-unpack-58rinslw 2026-04-20T09:48:41,875 Building wheels for collected packages: plams 2026-04-20T09:48:41,880 Created temporary directory: /tmp/pip-wheel-pkjym7xp 2026-04-20T09:48:41,880 Destination directory: /tmp/pip-wheel-pkjym7xp 2026-04-20T09:48:41,883 Building wheel for plams (pyproject.toml): started 2026-04-20T09:48:41,884 Running command Building wheel for plams (pyproject.toml) 2026-04-20T09:48:42,443 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-04-20T09:48:42,443 !! 2026-04-20T09:48:42,444 ******************************************************************************** 2026-04-20T09:48:42,445 Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0). 2026-04-20T09:48:42,446 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-04-20T09:48:42,447 or your builds will no longer be supported. 2026-04-20T09:48:42,448 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-20T09:48:42,448 ******************************************************************************** 2026-04-20T09:48:42,449 !! 2026-04-20T09:48:42,450 corresp(dist, value, root_dir) 2026-04-20T09:48:42,516 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-04-20T09:48:42,517 !! 2026-04-20T09:48:42,518 ******************************************************************************** 2026-04-20T09:48:42,518 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-04-20T09:48:42,519 License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3) 2026-04-20T09:48:42,520 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-20T09:48:42,521 ******************************************************************************** 2026-04-20T09:48:42,522 !! 2026-04-20T09:48:42,522 dist._finalize_license_expression() 2026-04-20T09:48:42,523 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-04-20T09:48:42,523 !! 2026-04-20T09:48:42,524 ******************************************************************************** 2026-04-20T09:48:42,525 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-04-20T09:48:42,526 License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3) 2026-04-20T09:48:42,527 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-20T09:48:42,527 ******************************************************************************** 2026-04-20T09:48:42,529 !! 2026-04-20T09:48:42,529 self._finalize_license_expression() 2026-04-20T09:48:42,530 running bdist_wheel 2026-04-20T09:48:42,542 running build 2026-04-20T09:48:42,542 running build_py 2026-04-20T09:48:42,548 creating build/lib/scm/plams 2026-04-20T09:48:42,551 copying ./__init__.py -> build/lib/scm/plams 2026-04-20T09:48:42,553 copying ./setup.py -> build/lib/scm/plams 2026-04-20T09:48:42,555 copying ./version.py -> build/lib/scm/plams 2026-04-20T09:48:42,558 creating build/lib/scm/plams/mol 2026-04-20T09:48:42,559 copying ./mol/pdbtools.py -> build/lib/scm/plams/mol 2026-04-20T09:48:42,562 copying ./mol/atom.py -> build/lib/scm/plams/mol 2026-04-20T09:48:42,564 copying ./mol/__init__.py -> build/lib/scm/plams/mol 2026-04-20T09:48:42,566 copying ./mol/bond.py -> build/lib/scm/plams/mol 2026-04-20T09:48:42,568 copying ./mol/context.py -> build/lib/scm/plams/mol 2026-04-20T09:48:42,570 copying ./mol/identify.py -> build/lib/scm/plams/mol 2026-04-20T09:48:42,572 copying ./mol/molecule.py -> build/lib/scm/plams/mol 2026-04-20T09:48:42,578 creating build/lib/scm/plams/recipes 2026-04-20T09:48:42,579 copying ./recipes/fcf_dos.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,581 copying ./recipes/numhess.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,583 copying ./recipes/numgrad.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,585 copying ./recipes/global_minimum.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,587 copying ./recipes/redox_potential.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,590 copying ./recipes/counterpoise.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,592 copying ./recipes/assign_charged_ions.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,594 copying ./recipes/redox.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,597 copying ./recipes/redox_defaults.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,599 copying ./recipes/__init__.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,600 copying ./recipes/adffragment.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,602 copying ./recipes/ams_crs.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,604 copying ./recipes/adfcosmorsconformers.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,606 copying ./recipes/adfcosmorscompound.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,609 copying ./recipes/ox_potential.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,611 copying ./recipes/reorganization_energy.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,613 copying ./recipes/adfnbo.py -> build/lib/scm/plams/recipes 2026-04-20T09:48:42,615 creating build/lib/scm/plams/trajectories 2026-04-20T09:48:42,616 copying ./trajectories/xyzfile.py -> build/lib/scm/plams/trajectories 2026-04-20T09:48:42,619 copying ./trajectories/xyzhistoryfile.py -> build/lib/scm/plams/trajectories 2026-04-20T09:48:42,621 copying ./trajectories/sdfhistoryfile.py -> build/lib/scm/plams/trajectories 2026-04-20T09:48:42,624 copying ./trajectories/dcdfile.py -> build/lib/scm/plams/trajectories 2026-04-20T09:48:42,626 copying ./trajectories/trajectory.py -> build/lib/scm/plams/trajectories 2026-04-20T09:48:42,629 copying ./trajectories/rkffile.py -> build/lib/scm/plams/trajectories 2026-04-20T09:48:42,632 copying ./trajectories/__init__.py -> build/lib/scm/plams/trajectories 2026-04-20T09:48:42,633 copying ./trajectories/sdffile.py -> build/lib/scm/plams/trajectories 2026-04-20T09:48:42,636 copying ./trajectories/rkfhistoryfile.py -> build/lib/scm/plams/trajectories 2026-04-20T09:48:42,639 copying ./trajectories/analysis.py -> build/lib/scm/plams/trajectories 2026-04-20T09:48:42,641 copying ./trajectories/trajectoryfile.py -> build/lib/scm/plams/trajectories 2026-04-20T09:48:42,645 creating build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,646 copying ./unit_tests/test_molecule_interfaces.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,649 copying ./unit_tests/test_identify.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,651 copying ./unit_tests/test_threading_utils.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,653 copying ./unit_tests/test_enums.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,655 copying ./unit_tests/test_amsjob.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,658 copying ./unit_tests/test_amsresults.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,661 copying ./unit_tests/test_logging.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,663 copying ./unit_tests/test_basejob.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,666 copying ./unit_tests/test_kftools.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,669 copying ./unit_tests/test_inputparser.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,671 copying ./unit_tests/test_settings.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,674 copying ./unit_tests/test_helpers.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,677 copying ./unit_tests/test_jobrunner.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,679 copying ./unit_tests/test_bond.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,681 copying ./unit_tests/test_results.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,683 copying ./unit_tests/test_molecule.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,686 copying ./unit_tests/test_interfaces.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,689 copying ./unit_tests/test_job_analysis.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,693 copying ./unit_tests/__init__.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,695 copying ./unit_tests/test_geometry.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,697 copying ./unit_tests/test_periodic_table.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,699 copying ./unit_tests/test_version.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,701 copying ./unit_tests/test_trajectories.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,703 copying ./unit_tests/test_functions.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,706 copying ./unit_tests/test_tools_plot.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,709 copying ./unit_tests/test_tools_table_formatter.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,711 copying ./unit_tests/conftest.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,713 copying ./unit_tests/test_atom.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,715 copying ./unit_tests/test_ASECalculator.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,717 copying ./unit_tests/test_jobmanager.py -> build/lib/scm/plams/unit_tests 2026-04-20T09:48:42,719 creating build/lib/scm/plams/core 2026-04-20T09:48:42,720 copying ./core/basejob.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,723 copying ./core/enums.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,725 copying ./core/results.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,728 copying ./core/jobrunner.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,730 copying ./core/jobmanager.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,733 copying ./core/__init__.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,734 copying ./core/errors.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,736 copying ./core/logging.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,739 copying ./core/threading_utils.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,741 copying ./core/settings.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,744 copying ./core/formatters.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,746 copying ./core/private.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,748 copying ./core/functions.py -> build/lib/scm/plams/core 2026-04-20T09:48:42,752 creating build/lib/scm/plams/tools 2026-04-20T09:48:42,753 copying ./tools/geometry.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,755 copying ./tools/plams_matrix.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,757 copying ./tools/kftools.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,760 copying ./tools/reaction_energies.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,763 copying ./tools/units.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,765 copying ./tools/plot.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,768 copying ./tools/__init__.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,770 copying ./tools/job_analysis.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,774 copying ./tools/periodic_table.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,777 copying ./tools/postprocess_results.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,779 copying ./tools/hbc_utilities.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,781 copying ./tools/reaction.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,784 copying ./tools/converters.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,786 copying ./tools/table_formatter.py -> build/lib/scm/plams/tools 2026-04-20T09:48:42,789 creating build/lib/scm/plams/interfaces 2026-04-20T09:48:42,790 copying ./interfaces/__init__.py -> build/lib/scm/plams/interfaces 2026-04-20T09:48:42,792 creating build/lib/scm/plams/recipes/md 2026-04-20T09:48:42,793 copying ./recipes/md/amsmdjob.py -> build/lib/scm/plams/recipes/md 2026-04-20T09:48:42,796 copying ./recipes/md/scandensity.py -> build/lib/scm/plams/recipes/md 2026-04-20T09:48:42,798 copying ./recipes/md/nvespawner.py -> build/lib/scm/plams/recipes/md 2026-04-20T09:48:42,801 copying ./recipes/md/__init__.py -> build/lib/scm/plams/recipes/md 2026-04-20T09:48:42,802 copying ./recipes/md/greenkuboviscosity.py -> build/lib/scm/plams/recipes/md 2026-04-20T09:48:42,805 copying ./recipes/md/equilibratedensity.py -> build/lib/scm/plams/recipes/md 2026-04-20T09:48:42,807 copying ./recipes/md/trajectoryanalysis.py -> build/lib/scm/plams/recipes/md 2026-04-20T09:48:42,810 copying ./recipes/md/movingrestraints.py -> build/lib/scm/plams/recipes/md 2026-04-20T09:48:42,812 creating build/lib/scm/plams/recipes/ts 2026-04-20T09:48:42,813 copying ./recipes/ts/reaction_boost_workflow.py -> build/lib/scm/plams/recipes/ts 2026-04-20T09:48:42,816 copying ./recipes/ts/__init__.py -> build/lib/scm/plams/recipes/ts 2026-04-20T09:48:42,818 creating build/lib/scm/plams/recipes/pestools 2026-04-20T09:48:42,819 copying ./recipes/pestools/__init__.py -> build/lib/scm/plams/recipes/pestools 2026-04-20T09:48:42,821 copying ./recipes/pestools/optimizer.py -> build/lib/scm/plams/recipes/pestools 2026-04-20T09:48:42,823 creating build/lib/scm/plams/interfaces/thirdparty 2026-04-20T09:48:42,824 copying ./interfaces/thirdparty/vasp.py -> build/lib/scm/plams/interfaces/thirdparty 2026-04-20T09:48:42,827 copying ./interfaces/thirdparty/serenity_calculator.py -> build/lib/scm/plams/interfaces/thirdparty 2026-04-20T09:48:42,829 copying ./interfaces/thirdparty/raspa.py -> build/lib/scm/plams/interfaces/thirdparty 2026-04-20T09:48:42,831 copying ./interfaces/thirdparty/dirac.py -> build/lib/scm/plams/interfaces/thirdparty 2026-04-20T09:48:42,833 copying ./interfaces/thirdparty/serenity.py -> build/lib/scm/plams/interfaces/thirdparty 2026-04-20T09:48:42,835 copying ./interfaces/thirdparty/orca.py -> build/lib/scm/plams/interfaces/thirdparty 2026-04-20T09:48:42,838 copying ./interfaces/thirdparty/gamess.py -> build/lib/scm/plams/interfaces/thirdparty 2026-04-20T09:48:42,840 copying ./interfaces/thirdparty/__init__.py -> build/lib/scm/plams/interfaces/thirdparty 2026-04-20T09:48:42,841 copying ./interfaces/thirdparty/crystal.py -> build/lib/scm/plams/interfaces/thirdparty 2026-04-20T09:48:42,844 copying ./interfaces/thirdparty/dftbplus.py -> build/lib/scm/plams/interfaces/thirdparty 2026-04-20T09:48:42,846 copying ./interfaces/thirdparty/cp2k.py -> build/lib/scm/plams/interfaces/thirdparty 2026-04-20T09:48:42,849 creating build/lib/scm/plams/interfaces/molecule 2026-04-20T09:48:42,851 copying ./interfaces/molecule/__init__.py -> build/lib/scm/plams/interfaces/molecule 2026-04-20T09:48:42,853 copying ./interfaces/molecule/ase.py -> build/lib/scm/plams/interfaces/molecule 2026-04-20T09:48:42,855 copying ./interfaces/molecule/rdkit.py -> build/lib/scm/plams/interfaces/molecule 2026-04-20T09:48:42,859 copying ./interfaces/molecule/packmol.py -> build/lib/scm/plams/interfaces/molecule 2026-04-20T09:48:42,865 creating build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,866 copying ./interfaces/adfsuite/inputparser.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,869 copying ./interfaces/adfsuite/fcf.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,871 copying ./interfaces/adfsuite/amsanalysis.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,873 copying ./interfaces/adfsuite/__init__.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,874 copying ./interfaces/adfsuite/densf.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,876 copying ./interfaces/adfsuite/ase_calculator.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,879 copying ./interfaces/adfsuite/forcefieldparams.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,881 copying ./interfaces/adfsuite/quickjobs.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,883 copying ./interfaces/adfsuite/scmjob.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,886 copying ./interfaces/adfsuite/ams.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,891 copying ./interfaces/adfsuite/unifac.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,893 copying ./interfaces/adfsuite/amsworker.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,897 copying ./interfaces/adfsuite/crs.py -> build/lib/scm/plams/interfaces/adfsuite 2026-04-20T09:48:42,899 running egg_info 2026-04-20T09:48:42,910 writing plams.egg-info/PKG-INFO 2026-04-20T09:48:42,919 writing dependency_links to plams.egg-info/dependency_links.txt 2026-04-20T09:48:42,924 writing requirements to plams.egg-info/requires.txt 2026-04-20T09:48:42,925 writing top-level names to plams.egg-info/top_level.txt 2026-04-20T09:48:42,994 reading manifest file 'plams.egg-info/SOURCES.txt' 2026-04-20T09:48:43,029 adding license file 'LICENSE.md' 2026-04-20T09:48:43,054 writing manifest file 'plams.egg-info/SOURCES.txt' 2026-04-20T09:48:43,058 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples' is absent from the `packages` configuration. 2026-04-20T09:48:43,058 !! 2026-04-20T09:48:43,059 ******************************************************************************** 2026-04-20T09:48:43,060 ############################ 2026-04-20T09:48:43,060 # Package would be ignored # 2026-04-20T09:48:43,061 ############################ 2026-04-20T09:48:43,061 Python recognizes 'scm.plams.examples' as an importable package[^1], 2026-04-20T09:48:43,062 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,063 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,063 package, please make sure that 'scm.plams.examples' is explicitly added 2026-04-20T09:48:43,064 to the `packages` configuration field. 2026-04-20T09:48:43,064 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,065 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,065 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,066 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,067 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,068 If you don't want 'scm.plams.examples' to be distributed and are 2026-04-20T09:48:43,069 already explicitly excluding 'scm.plams.examples' via 2026-04-20T09:48:43,069 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,070 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,070 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,071 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,072 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,073 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,074 even if it does not contain any `.py` files. 2026-04-20T09:48:43,074 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,074 directory, all directories are treated like packages. 2026-04-20T09:48:43,075 ******************************************************************************** 2026-04-20T09:48:43,076 !! 2026-04-20T09:48:43,076 check.warn(importable) 2026-04-20T09:48:43,077 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ADFFrag' is absent from the `packages` configuration. 2026-04-20T09:48:43,077 !! 2026-04-20T09:48:43,078 ******************************************************************************** 2026-04-20T09:48:43,079 ############################ 2026-04-20T09:48:43,079 # Package would be ignored # 2026-04-20T09:48:43,080 ############################ 2026-04-20T09:48:43,080 Python recognizes 'scm.plams.examples.ADFFrag' as an importable package[^1], 2026-04-20T09:48:43,081 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,082 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,082 package, please make sure that 'scm.plams.examples.ADFFrag' is explicitly added 2026-04-20T09:48:43,082 to the `packages` configuration field. 2026-04-20T09:48:43,083 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,083 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,084 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,084 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,085 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,086 If you don't want 'scm.plams.examples.ADFFrag' to be distributed and are 2026-04-20T09:48:43,086 already explicitly excluding 'scm.plams.examples.ADFFrag' via 2026-04-20T09:48:43,086 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,087 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,087 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,088 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,089 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,090 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,090 even if it does not contain any `.py` files. 2026-04-20T09:48:43,091 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,091 directory, all directories are treated like packages. 2026-04-20T09:48:43,092 ******************************************************************************** 2026-04-20T09:48:43,092 !! 2026-04-20T09:48:43,093 check.warn(importable) 2026-04-20T09:48:43,093 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ADFNBO' is absent from the `packages` configuration. 2026-04-20T09:48:43,094 !! 2026-04-20T09:48:43,095 ******************************************************************************** 2026-04-20T09:48:43,095 ############################ 2026-04-20T09:48:43,095 # Package would be ignored # 2026-04-20T09:48:43,096 ############################ 2026-04-20T09:48:43,096 Python recognizes 'scm.plams.examples.ADFNBO' as an importable package[^1], 2026-04-20T09:48:43,097 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,098 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,098 package, please make sure that 'scm.plams.examples.ADFNBO' is explicitly added 2026-04-20T09:48:43,098 to the `packages` configuration field. 2026-04-20T09:48:43,099 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,100 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,100 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,101 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,102 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,103 If you don't want 'scm.plams.examples.ADFNBO' to be distributed and are 2026-04-20T09:48:43,103 already explicitly excluding 'scm.plams.examples.ADFNBO' via 2026-04-20T09:48:43,104 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,104 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,105 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,106 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,106 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,107 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,108 even if it does not contain any `.py` files. 2026-04-20T09:48:43,108 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,109 directory, all directories are treated like packages. 2026-04-20T09:48:43,109 ******************************************************************************** 2026-04-20T09:48:43,110 !! 2026-04-20T09:48:43,110 check.warn(importable) 2026-04-20T09:48:43,110 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ADFVibronicDOS' is absent from the `packages` configuration. 2026-04-20T09:48:43,111 !! 2026-04-20T09:48:43,112 ******************************************************************************** 2026-04-20T09:48:43,112 ############################ 2026-04-20T09:48:43,112 # Package would be ignored # 2026-04-20T09:48:43,113 ############################ 2026-04-20T09:48:43,113 Python recognizes 'scm.plams.examples.ADFVibronicDOS' as an importable package[^1], 2026-04-20T09:48:43,114 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,115 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,115 package, please make sure that 'scm.plams.examples.ADFVibronicDOS' is explicitly added 2026-04-20T09:48:43,115 to the `packages` configuration field. 2026-04-20T09:48:43,116 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,117 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,117 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,118 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,119 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,120 If you don't want 'scm.plams.examples.ADFVibronicDOS' to be distributed and are 2026-04-20T09:48:43,120 already explicitly excluding 'scm.plams.examples.ADFVibronicDOS' via 2026-04-20T09:48:43,121 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,121 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,122 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,122 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,123 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,125 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,125 even if it does not contain any `.py` files. 2026-04-20T09:48:43,126 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,126 directory, all directories are treated like packages. 2026-04-20T09:48:43,126 ******************************************************************************** 2026-04-20T09:48:43,127 !! 2026-04-20T09:48:43,128 check.warn(importable) 2026-04-20T09:48:43,128 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.AMSPlumedMD' is absent from the `packages` configuration. 2026-04-20T09:48:43,129 !! 2026-04-20T09:48:43,130 ******************************************************************************** 2026-04-20T09:48:43,130 ############################ 2026-04-20T09:48:43,130 # Package would be ignored # 2026-04-20T09:48:43,131 ############################ 2026-04-20T09:48:43,131 Python recognizes 'scm.plams.examples.AMSPlumedMD' as an importable package[^1], 2026-04-20T09:48:43,131 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,132 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,133 package, please make sure that 'scm.plams.examples.AMSPlumedMD' is explicitly added 2026-04-20T09:48:43,133 to the `packages` configuration field. 2026-04-20T09:48:43,134 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,134 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,135 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,135 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,136 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,137 If you don't want 'scm.plams.examples.AMSPlumedMD' to be distributed and are 2026-04-20T09:48:43,137 already explicitly excluding 'scm.plams.examples.AMSPlumedMD' via 2026-04-20T09:48:43,138 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,138 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,139 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,139 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,140 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,142 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,142 even if it does not contain any `.py` files. 2026-04-20T09:48:43,143 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,143 directory, all directories are treated like packages. 2026-04-20T09:48:43,144 ******************************************************************************** 2026-04-20T09:48:43,145 !! 2026-04-20T09:48:43,145 check.warn(importable) 2026-04-20T09:48:43,146 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.AMSSettingsInput' is absent from the `packages` configuration. 2026-04-20T09:48:43,146 !! 2026-04-20T09:48:43,147 ******************************************************************************** 2026-04-20T09:48:43,148 ############################ 2026-04-20T09:48:43,148 # Package would be ignored # 2026-04-20T09:48:43,149 ############################ 2026-04-20T09:48:43,149 Python recognizes 'scm.plams.examples.AMSSettingsInput' as an importable package[^1], 2026-04-20T09:48:43,150 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,151 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,151 package, please make sure that 'scm.plams.examples.AMSSettingsInput' is explicitly added 2026-04-20T09:48:43,152 to the `packages` configuration field. 2026-04-20T09:48:43,152 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,153 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,153 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,155 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,155 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,156 If you don't want 'scm.plams.examples.AMSSettingsInput' to be distributed and are 2026-04-20T09:48:43,156 already explicitly excluding 'scm.plams.examples.AMSSettingsInput' via 2026-04-20T09:48:43,157 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,157 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,158 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,158 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,159 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,161 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,161 even if it does not contain any `.py` files. 2026-04-20T09:48:43,161 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,162 directory, all directories are treated like packages. 2026-04-20T09:48:43,162 ******************************************************************************** 2026-04-20T09:48:43,163 !! 2026-04-20T09:48:43,164 check.warn(importable) 2026-04-20T09:48:43,164 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.AMSSettingsSystem' is absent from the `packages` configuration. 2026-04-20T09:48:43,164 !! 2026-04-20T09:48:43,165 ******************************************************************************** 2026-04-20T09:48:43,166 ############################ 2026-04-20T09:48:43,166 # Package would be ignored # 2026-04-20T09:48:43,167 ############################ 2026-04-20T09:48:43,167 Python recognizes 'scm.plams.examples.AMSSettingsSystem' as an importable package[^1], 2026-04-20T09:48:43,168 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,168 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,169 package, please make sure that 'scm.plams.examples.AMSSettingsSystem' is explicitly added 2026-04-20T09:48:43,169 to the `packages` configuration field. 2026-04-20T09:48:43,170 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,171 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,171 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,172 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,173 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,174 If you don't want 'scm.plams.examples.AMSSettingsSystem' to be distributed and are 2026-04-20T09:48:43,175 already explicitly excluding 'scm.plams.examples.AMSSettingsSystem' via 2026-04-20T09:48:43,175 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,175 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,176 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,177 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,178 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,179 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,180 even if it does not contain any `.py` files. 2026-04-20T09:48:43,181 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,181 directory, all directories are treated like packages. 2026-04-20T09:48:43,181 ******************************************************************************** 2026-04-20T09:48:43,182 !! 2026-04-20T09:48:43,182 check.warn(importable) 2026-04-20T09:48:43,183 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.AMSTSWorkflow' is absent from the `packages` configuration. 2026-04-20T09:48:43,183 !! 2026-04-20T09:48:43,184 ******************************************************************************** 2026-04-20T09:48:43,184 ############################ 2026-04-20T09:48:43,185 # Package would be ignored # 2026-04-20T09:48:43,185 ############################ 2026-04-20T09:48:43,186 Python recognizes 'scm.plams.examples.AMSTSWorkflow' as an importable package[^1], 2026-04-20T09:48:43,186 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,187 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,187 package, please make sure that 'scm.plams.examples.AMSTSWorkflow' is explicitly added 2026-04-20T09:48:43,188 to the `packages` configuration field. 2026-04-20T09:48:43,188 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,189 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,189 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,190 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,191 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,192 If you don't want 'scm.plams.examples.AMSTSWorkflow' to be distributed and are 2026-04-20T09:48:43,192 already explicitly excluding 'scm.plams.examples.AMSTSWorkflow' via 2026-04-20T09:48:43,193 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,193 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,194 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,195 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,196 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,197 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,197 even if it does not contain any `.py` files. 2026-04-20T09:48:43,198 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,198 directory, all directories are treated like packages. 2026-04-20T09:48:43,199 ******************************************************************************** 2026-04-20T09:48:43,200 !! 2026-04-20T09:48:43,200 check.warn(importable) 2026-04-20T09:48:43,201 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ASECalculator' is absent from the `packages` configuration. 2026-04-20T09:48:43,201 !! 2026-04-20T09:48:43,202 ******************************************************************************** 2026-04-20T09:48:43,203 ############################ 2026-04-20T09:48:43,203 # Package would be ignored # 2026-04-20T09:48:43,203 ############################ 2026-04-20T09:48:43,204 Python recognizes 'scm.plams.examples.ASECalculator' as an importable package[^1], 2026-04-20T09:48:43,204 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,206 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,206 package, please make sure that 'scm.plams.examples.ASECalculator' is explicitly added 2026-04-20T09:48:43,206 to the `packages` configuration field. 2026-04-20T09:48:43,207 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,207 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,208 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,209 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,209 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,210 If you don't want 'scm.plams.examples.ASECalculator' to be distributed and are 2026-04-20T09:48:43,210 already explicitly excluding 'scm.plams.examples.ASECalculator' via 2026-04-20T09:48:43,211 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,211 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,212 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,213 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,214 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,215 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,215 even if it does not contain any `.py` files. 2026-04-20T09:48:43,216 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,216 directory, all directories are treated like packages. 2026-04-20T09:48:43,217 ******************************************************************************** 2026-04-20T09:48:43,218 !! 2026-04-20T09:48:43,218 check.warn(importable) 2026-04-20T09:48:43,218 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.BandStructure' is absent from the `packages` configuration. 2026-04-20T09:48:43,219 !! 2026-04-20T09:48:43,220 ******************************************************************************** 2026-04-20T09:48:43,220 ############################ 2026-04-20T09:48:43,221 # Package would be ignored # 2026-04-20T09:48:43,221 ############################ 2026-04-20T09:48:43,221 Python recognizes 'scm.plams.examples.BandStructure' as an importable package[^1], 2026-04-20T09:48:43,222 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,223 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,223 package, please make sure that 'scm.plams.examples.BandStructure' is explicitly added 2026-04-20T09:48:43,224 to the `packages` configuration field. 2026-04-20T09:48:43,224 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,225 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,225 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,226 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,227 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,228 If you don't want 'scm.plams.examples.BandStructure' to be distributed and are 2026-04-20T09:48:43,228 already explicitly excluding 'scm.plams.examples.BandStructure' via 2026-04-20T09:48:43,229 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,229 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,230 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,231 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,231 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,232 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,233 even if it does not contain any `.py` files. 2026-04-20T09:48:43,233 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,233 directory, all directories are treated like packages. 2026-04-20T09:48:43,234 ******************************************************************************** 2026-04-20T09:48:43,234 !! 2026-04-20T09:48:43,235 check.warn(importable) 2026-04-20T09:48:43,235 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.BasicMDAnalysis' is absent from the `packages` configuration. 2026-04-20T09:48:43,236 !! 2026-04-20T09:48:43,236 ******************************************************************************** 2026-04-20T09:48:43,237 ############################ 2026-04-20T09:48:43,237 # Package would be ignored # 2026-04-20T09:48:43,237 ############################ 2026-04-20T09:48:43,238 Python recognizes 'scm.plams.examples.BasicMDAnalysis' as an importable package[^1], 2026-04-20T09:48:43,238 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,239 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,240 package, please make sure that 'scm.plams.examples.BasicMDAnalysis' is explicitly added 2026-04-20T09:48:43,240 to the `packages` configuration field. 2026-04-20T09:48:43,241 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,241 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,242 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,242 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,243 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,244 If you don't want 'scm.plams.examples.BasicMDAnalysis' to be distributed and are 2026-04-20T09:48:43,244 already explicitly excluding 'scm.plams.examples.BasicMDAnalysis' via 2026-04-20T09:48:43,245 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,245 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,246 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,247 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,247 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,249 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,249 even if it does not contain any `.py` files. 2026-04-20T09:48:43,250 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,250 directory, all directories are treated like packages. 2026-04-20T09:48:43,251 ******************************************************************************** 2026-04-20T09:48:43,252 !! 2026-04-20T09:48:43,252 check.warn(importable) 2026-04-20T09:48:43,253 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.BasisSetBenchmark' is absent from the `packages` configuration. 2026-04-20T09:48:43,253 !! 2026-04-20T09:48:43,254 ******************************************************************************** 2026-04-20T09:48:43,255 ############################ 2026-04-20T09:48:43,255 # Package would be ignored # 2026-04-20T09:48:43,255 ############################ 2026-04-20T09:48:43,256 Python recognizes 'scm.plams.examples.BasisSetBenchmark' as an importable package[^1], 2026-04-20T09:48:43,256 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,257 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,257 package, please make sure that 'scm.plams.examples.BasisSetBenchmark' is explicitly added 2026-04-20T09:48:43,257 to the `packages` configuration field. 2026-04-20T09:48:43,258 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,259 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,259 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,260 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,260 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,261 If you don't want 'scm.plams.examples.BasisSetBenchmark' to be distributed and are 2026-04-20T09:48:43,262 already explicitly excluding 'scm.plams.examples.BasisSetBenchmark' via 2026-04-20T09:48:43,262 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,263 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,263 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,264 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,265 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,266 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,266 even if it does not contain any `.py` files. 2026-04-20T09:48:43,267 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,267 directory, all directories are treated like packages. 2026-04-20T09:48:43,268 ******************************************************************************** 2026-04-20T09:48:43,268 !! 2026-04-20T09:48:43,269 check.warn(importable) 2026-04-20T09:48:43,269 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.COSMORSCompound' is absent from the `packages` configuration. 2026-04-20T09:48:43,270 !! 2026-04-20T09:48:43,271 ******************************************************************************** 2026-04-20T09:48:43,271 ############################ 2026-04-20T09:48:43,272 # Package would be ignored # 2026-04-20T09:48:43,272 ############################ 2026-04-20T09:48:43,272 Python recognizes 'scm.plams.examples.COSMORSCompound' as an importable package[^1], 2026-04-20T09:48:43,273 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,274 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,274 package, please make sure that 'scm.plams.examples.COSMORSCompound' is explicitly added 2026-04-20T09:48:43,275 to the `packages` configuration field. 2026-04-20T09:48:43,276 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,276 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,276 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,278 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,279 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,279 If you don't want 'scm.plams.examples.COSMORSCompound' to be distributed and are 2026-04-20T09:48:43,280 already explicitly excluding 'scm.plams.examples.COSMORSCompound' via 2026-04-20T09:48:43,280 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,280 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,281 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,281 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,282 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,283 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,284 even if it does not contain any `.py` files. 2026-04-20T09:48:43,284 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,284 directory, all directories are treated like packages. 2026-04-20T09:48:43,285 ******************************************************************************** 2026-04-20T09:48:43,286 !! 2026-04-20T09:48:43,286 check.warn(importable) 2026-04-20T09:48:43,286 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.COSMORSConformers' is absent from the `packages` configuration. 2026-04-20T09:48:43,287 !! 2026-04-20T09:48:43,288 ******************************************************************************** 2026-04-20T09:48:43,288 ############################ 2026-04-20T09:48:43,289 # Package would be ignored # 2026-04-20T09:48:43,289 ############################ 2026-04-20T09:48:43,289 Python recognizes 'scm.plams.examples.COSMORSConformers' as an importable package[^1], 2026-04-20T09:48:43,290 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,291 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,291 package, please make sure that 'scm.plams.examples.COSMORSConformers' is explicitly added 2026-04-20T09:48:43,291 to the `packages` configuration field. 2026-04-20T09:48:43,292 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,293 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,293 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,294 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,295 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,296 If you don't want 'scm.plams.examples.COSMORSConformers' to be distributed and are 2026-04-20T09:48:43,296 already explicitly excluding 'scm.plams.examples.COSMORSConformers' via 2026-04-20T09:48:43,297 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,297 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,297 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,298 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,299 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,301 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,301 even if it does not contain any `.py` files. 2026-04-20T09:48:43,301 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,302 directory, all directories are treated like packages. 2026-04-20T09:48:43,302 ******************************************************************************** 2026-04-20T09:48:43,303 !! 2026-04-20T09:48:43,303 check.warn(importable) 2026-04-20T09:48:43,303 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ChargeTransferIntegralsADF' is absent from the `packages` configuration. 2026-04-20T09:48:43,304 !! 2026-04-20T09:48:43,304 ******************************************************************************** 2026-04-20T09:48:43,305 ############################ 2026-04-20T09:48:43,305 # Package would be ignored # 2026-04-20T09:48:43,306 ############################ 2026-04-20T09:48:43,306 Python recognizes 'scm.plams.examples.ChargeTransferIntegralsADF' as an importable package[^1], 2026-04-20T09:48:43,306 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,307 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,307 package, please make sure that 'scm.plams.examples.ChargeTransferIntegralsADF' is explicitly added 2026-04-20T09:48:43,308 to the `packages` configuration field. 2026-04-20T09:48:43,309 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,309 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,310 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,310 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,311 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,312 If you don't want 'scm.plams.examples.ChargeTransferIntegralsADF' to be distributed and are 2026-04-20T09:48:43,313 already explicitly excluding 'scm.plams.examples.ChargeTransferIntegralsADF' via 2026-04-20T09:48:43,313 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,313 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,314 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,315 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,315 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,317 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,317 even if it does not contain any `.py` files. 2026-04-20T09:48:43,318 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,318 directory, all directories are treated like packages. 2026-04-20T09:48:43,319 ******************************************************************************** 2026-04-20T09:48:43,319 !! 2026-04-20T09:48:43,320 check.warn(importable) 2026-04-20T09:48:43,320 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ChargedAMSCalculator' is absent from the `packages` configuration. 2026-04-20T09:48:43,321 !! 2026-04-20T09:48:43,322 ******************************************************************************** 2026-04-20T09:48:43,322 ############################ 2026-04-20T09:48:43,322 # Package would be ignored # 2026-04-20T09:48:43,323 ############################ 2026-04-20T09:48:43,323 Python recognizes 'scm.plams.examples.ChargedAMSCalculator' as an importable package[^1], 2026-04-20T09:48:43,324 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,325 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,325 package, please make sure that 'scm.plams.examples.ChargedAMSCalculator' is explicitly added 2026-04-20T09:48:43,325 to the `packages` configuration field. 2026-04-20T09:48:43,326 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,326 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,327 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,327 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,328 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,329 If you don't want 'scm.plams.examples.ChargedAMSCalculator' to be distributed and are 2026-04-20T09:48:43,329 already explicitly excluding 'scm.plams.examples.ChargedAMSCalculator' via 2026-04-20T09:48:43,330 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,330 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,330 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,331 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,332 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,333 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,334 even if it does not contain any `.py` files. 2026-04-20T09:48:43,334 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,335 directory, all directories are treated like packages. 2026-04-20T09:48:43,335 ******************************************************************************** 2026-04-20T09:48:43,336 !! 2026-04-20T09:48:43,336 check.warn(importable) 2026-04-20T09:48:43,337 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ConformersGeneration' is absent from the `packages` configuration. 2026-04-20T09:48:43,337 !! 2026-04-20T09:48:43,338 ******************************************************************************** 2026-04-20T09:48:43,338 ############################ 2026-04-20T09:48:43,339 # Package would be ignored # 2026-04-20T09:48:43,339 ############################ 2026-04-20T09:48:43,340 Python recognizes 'scm.plams.examples.ConformersGeneration' as an importable package[^1], 2026-04-20T09:48:43,340 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,341 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,342 package, please make sure that 'scm.plams.examples.ConformersGeneration' is explicitly added 2026-04-20T09:48:43,342 to the `packages` configuration field. 2026-04-20T09:48:43,343 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,343 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,344 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,345 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,345 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,346 If you don't want 'scm.plams.examples.ConformersGeneration' to be distributed and are 2026-04-20T09:48:43,347 already explicitly excluding 'scm.plams.examples.ConformersGeneration' via 2026-04-20T09:48:43,347 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,348 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,348 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,349 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,350 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,351 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,351 even if it does not contain any `.py` files. 2026-04-20T09:48:43,351 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,352 directory, all directories are treated like packages. 2026-04-20T09:48:43,352 ******************************************************************************** 2026-04-20T09:48:43,353 !! 2026-04-20T09:48:43,353 check.warn(importable) 2026-04-20T09:48:43,353 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ConformersMultipleMolecules' is absent from the `packages` configuration. 2026-04-20T09:48:43,354 !! 2026-04-20T09:48:43,355 ******************************************************************************** 2026-04-20T09:48:43,355 ############################ 2026-04-20T09:48:43,355 # Package would be ignored # 2026-04-20T09:48:43,356 ############################ 2026-04-20T09:48:43,356 Python recognizes 'scm.plams.examples.ConformersMultipleMolecules' as an importable package[^1], 2026-04-20T09:48:43,357 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,358 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,358 package, please make sure that 'scm.plams.examples.ConformersMultipleMolecules' is explicitly added 2026-04-20T09:48:43,359 to the `packages` configuration field. 2026-04-20T09:48:43,360 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,360 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,360 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,361 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,362 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,363 If you don't want 'scm.plams.examples.ConformersMultipleMolecules' to be distributed and are 2026-04-20T09:48:43,363 already explicitly excluding 'scm.plams.examples.ConformersMultipleMolecules' via 2026-04-20T09:48:43,364 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,364 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,365 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,366 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,367 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,368 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,368 even if it does not contain any `.py` files. 2026-04-20T09:48:43,369 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,369 directory, all directories are treated like packages. 2026-04-20T09:48:43,370 ******************************************************************************** 2026-04-20T09:48:43,371 !! 2026-04-20T09:48:43,371 check.warn(importable) 2026-04-20T09:48:43,371 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ConstrainedGOAMSWorker' is absent from the `packages` configuration. 2026-04-20T09:48:43,372 !! 2026-04-20T09:48:43,373 ******************************************************************************** 2026-04-20T09:48:43,373 ############################ 2026-04-20T09:48:43,373 # Package would be ignored # 2026-04-20T09:48:43,374 ############################ 2026-04-20T09:48:43,374 Python recognizes 'scm.plams.examples.ConstrainedGOAMSWorker' as an importable package[^1], 2026-04-20T09:48:43,374 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,375 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,375 package, please make sure that 'scm.plams.examples.ConstrainedGOAMSWorker' is explicitly added 2026-04-20T09:48:43,376 to the `packages` configuration field. 2026-04-20T09:48:43,377 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,377 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,377 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,378 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,379 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,380 If you don't want 'scm.plams.examples.ConstrainedGOAMSWorker' to be distributed and are 2026-04-20T09:48:43,380 already explicitly excluding 'scm.plams.examples.ConstrainedGOAMSWorker' via 2026-04-20T09:48:43,381 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,381 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,382 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,382 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,383 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,385 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,385 even if it does not contain any `.py` files. 2026-04-20T09:48:43,386 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,386 directory, all directories are treated like packages. 2026-04-20T09:48:43,386 ******************************************************************************** 2026-04-20T09:48:43,387 !! 2026-04-20T09:48:43,388 check.warn(importable) 2026-04-20T09:48:43,388 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ExcitationsWorkflow' is absent from the `packages` configuration. 2026-04-20T09:48:43,389 !! 2026-04-20T09:48:43,389 ******************************************************************************** 2026-04-20T09:48:43,390 ############################ 2026-04-20T09:48:43,390 # Package would be ignored # 2026-04-20T09:48:43,391 ############################ 2026-04-20T09:48:43,391 Python recognizes 'scm.plams.examples.ExcitationsWorkflow' as an importable package[^1], 2026-04-20T09:48:43,392 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,393 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,393 package, please make sure that 'scm.plams.examples.ExcitationsWorkflow' is explicitly added 2026-04-20T09:48:43,393 to the `packages` configuration field. 2026-04-20T09:48:43,394 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,395 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,395 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,396 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,397 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,397 If you don't want 'scm.plams.examples.ExcitationsWorkflow' to be distributed and are 2026-04-20T09:48:43,398 already explicitly excluding 'scm.plams.examples.ExcitationsWorkflow' via 2026-04-20T09:48:43,398 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,399 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,399 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,400 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,401 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,402 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,402 even if it does not contain any `.py` files. 2026-04-20T09:48:43,403 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,403 directory, all directories are treated like packages. 2026-04-20T09:48:43,404 ******************************************************************************** 2026-04-20T09:48:43,405 !! 2026-04-20T09:48:43,405 check.warn(importable) 2026-04-20T09:48:43,406 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.He2DissociationCurve' is absent from the `packages` configuration. 2026-04-20T09:48:43,406 !! 2026-04-20T09:48:43,407 ******************************************************************************** 2026-04-20T09:48:43,408 ############################ 2026-04-20T09:48:43,408 # Package would be ignored # 2026-04-20T09:48:43,409 ############################ 2026-04-20T09:48:43,409 Python recognizes 'scm.plams.examples.He2DissociationCurve' as an importable package[^1], 2026-04-20T09:48:43,409 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,410 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,411 package, please make sure that 'scm.plams.examples.He2DissociationCurve' is explicitly added 2026-04-20T09:48:43,411 to the `packages` configuration field. 2026-04-20T09:48:43,412 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,413 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,413 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,414 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,415 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,416 If you don't want 'scm.plams.examples.He2DissociationCurve' to be distributed and are 2026-04-20T09:48:43,416 already explicitly excluding 'scm.plams.examples.He2DissociationCurve' via 2026-04-20T09:48:43,417 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,417 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,418 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,419 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,419 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,420 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,421 even if it does not contain any `.py` files. 2026-04-20T09:48:43,421 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,422 directory, all directories are treated like packages. 2026-04-20T09:48:43,422 ******************************************************************************** 2026-04-20T09:48:43,423 !! 2026-04-20T09:48:43,423 check.warn(importable) 2026-04-20T09:48:43,423 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.IRSpectrumFromMD' is absent from the `packages` configuration. 2026-04-20T09:48:43,424 !! 2026-04-20T09:48:43,425 ******************************************************************************** 2026-04-20T09:48:43,425 ############################ 2026-04-20T09:48:43,425 # Package would be ignored # 2026-04-20T09:48:43,426 ############################ 2026-04-20T09:48:43,426 Python recognizes 'scm.plams.examples.IRSpectrumFromMD' as an importable package[^1], 2026-04-20T09:48:43,427 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,427 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,428 package, please make sure that 'scm.plams.examples.IRSpectrumFromMD' is explicitly added 2026-04-20T09:48:43,428 to the `packages` configuration field. 2026-04-20T09:48:43,429 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,430 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,430 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,431 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,432 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,433 If you don't want 'scm.plams.examples.IRSpectrumFromMD' to be distributed and are 2026-04-20T09:48:43,433 already explicitly excluding 'scm.plams.examples.IRSpectrumFromMD' via 2026-04-20T09:48:43,434 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,434 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,434 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,435 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,436 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,438 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,438 even if it does not contain any `.py` files. 2026-04-20T09:48:43,439 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,439 directory, all directories are treated like packages. 2026-04-20T09:48:43,440 ******************************************************************************** 2026-04-20T09:48:43,441 !! 2026-04-20T09:48:43,441 check.warn(importable) 2026-04-20T09:48:43,441 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.IonicConductivity' is absent from the `packages` configuration. 2026-04-20T09:48:43,442 !! 2026-04-20T09:48:43,443 ******************************************************************************** 2026-04-20T09:48:43,443 ############################ 2026-04-20T09:48:43,444 # Package would be ignored # 2026-04-20T09:48:43,444 ############################ 2026-04-20T09:48:43,444 Python recognizes 'scm.plams.examples.IonicConductivity' as an importable package[^1], 2026-04-20T09:48:43,445 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,445 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,446 package, please make sure that 'scm.plams.examples.IonicConductivity' is explicitly added 2026-04-20T09:48:43,446 to the `packages` configuration field. 2026-04-20T09:48:43,447 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,447 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,448 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,449 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,449 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,450 If you don't want 'scm.plams.examples.IonicConductivity' to be distributed and are 2026-04-20T09:48:43,451 already explicitly excluding 'scm.plams.examples.IonicConductivity' via 2026-04-20T09:48:43,451 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,451 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,452 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,453 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,454 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,455 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,455 even if it does not contain any `.py` files. 2026-04-20T09:48:43,456 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,456 directory, all directories are treated like packages. 2026-04-20T09:48:43,457 ******************************************************************************** 2026-04-20T09:48:43,458 !! 2026-04-20T09:48:43,458 check.warn(importable) 2026-04-20T09:48:43,458 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.JobAnalysis' is absent from the `packages` configuration. 2026-04-20T09:48:43,459 !! 2026-04-20T09:48:43,460 ******************************************************************************** 2026-04-20T09:48:43,460 ############################ 2026-04-20T09:48:43,461 # Package would be ignored # 2026-04-20T09:48:43,461 ############################ 2026-04-20T09:48:43,462 Python recognizes 'scm.plams.examples.JobAnalysis' as an importable package[^1], 2026-04-20T09:48:43,462 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,463 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,463 package, please make sure that 'scm.plams.examples.JobAnalysis' is explicitly added 2026-04-20T09:48:43,464 to the `packages` configuration field. 2026-04-20T09:48:43,465 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,465 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,466 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,467 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,468 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,469 If you don't want 'scm.plams.examples.JobAnalysis' to be distributed and are 2026-04-20T09:48:43,469 already explicitly excluding 'scm.plams.examples.JobAnalysis' via 2026-04-20T09:48:43,470 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,470 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,471 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,472 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,472 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,474 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,474 even if it does not contain any `.py` files. 2026-04-20T09:48:43,475 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,475 directory, all directories are treated like packages. 2026-04-20T09:48:43,475 ******************************************************************************** 2026-04-20T09:48:43,476 !! 2026-04-20T09:48:43,476 check.warn(importable) 2026-04-20T09:48:43,477 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.Logging' is absent from the `packages` configuration. 2026-04-20T09:48:43,477 !! 2026-04-20T09:48:43,478 ******************************************************************************** 2026-04-20T09:48:43,479 ############################ 2026-04-20T09:48:43,479 # Package would be ignored # 2026-04-20T09:48:43,479 ############################ 2026-04-20T09:48:43,480 Python recognizes 'scm.plams.examples.Logging' as an importable package[^1], 2026-04-20T09:48:43,480 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,481 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,481 package, please make sure that 'scm.plams.examples.Logging' is explicitly added 2026-04-20T09:48:43,482 to the `packages` configuration field. 2026-04-20T09:48:43,483 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,483 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,484 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,484 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,485 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,486 If you don't want 'scm.plams.examples.Logging' to be distributed and are 2026-04-20T09:48:43,487 already explicitly excluding 'scm.plams.examples.Logging' via 2026-04-20T09:48:43,487 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,487 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,488 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,489 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,490 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,491 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,491 even if it does not contain any `.py` files. 2026-04-20T09:48:43,492 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,492 directory, all directories are treated like packages. 2026-04-20T09:48:43,493 ******************************************************************************** 2026-04-20T09:48:43,493 !! 2026-04-20T09:48:43,494 check.warn(importable) 2026-04-20T09:48:43,494 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.M3GNet' is absent from the `packages` configuration. 2026-04-20T09:48:43,494 !! 2026-04-20T09:48:43,495 ******************************************************************************** 2026-04-20T09:48:43,495 ############################ 2026-04-20T09:48:43,496 # Package would be ignored # 2026-04-20T09:48:43,496 ############################ 2026-04-20T09:48:43,496 Python recognizes 'scm.plams.examples.M3GNet' as an importable package[^1], 2026-04-20T09:48:43,497 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,498 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,498 package, please make sure that 'scm.plams.examples.M3GNet' is explicitly added 2026-04-20T09:48:43,498 to the `packages` configuration field. 2026-04-20T09:48:43,499 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,500 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,500 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,501 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,502 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,502 If you don't want 'scm.plams.examples.M3GNet' to be distributed and are 2026-04-20T09:48:43,503 already explicitly excluding 'scm.plams.examples.M3GNet' via 2026-04-20T09:48:43,503 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,504 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,504 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,505 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,506 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,507 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,507 even if it does not contain any `.py` files. 2026-04-20T09:48:43,508 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,508 directory, all directories are treated like packages. 2026-04-20T09:48:43,509 ******************************************************************************** 2026-04-20T09:48:43,510 !! 2026-04-20T09:48:43,510 check.warn(importable) 2026-04-20T09:48:43,510 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ManyJobsInParallel' is absent from the `packages` configuration. 2026-04-20T09:48:43,511 !! 2026-04-20T09:48:43,512 ******************************************************************************** 2026-04-20T09:48:43,512 ############################ 2026-04-20T09:48:43,513 # Package would be ignored # 2026-04-20T09:48:43,513 ############################ 2026-04-20T09:48:43,513 Python recognizes 'scm.plams.examples.ManyJobsInParallel' as an importable package[^1], 2026-04-20T09:48:43,514 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,515 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,515 package, please make sure that 'scm.plams.examples.ManyJobsInParallel' is explicitly added 2026-04-20T09:48:43,516 to the `packages` configuration field. 2026-04-20T09:48:43,516 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,517 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,517 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,518 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,518 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,519 If you don't want 'scm.plams.examples.ManyJobsInParallel' to be distributed and are 2026-04-20T09:48:43,520 already explicitly excluding 'scm.plams.examples.ManyJobsInParallel' via 2026-04-20T09:48:43,520 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,520 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,521 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,521 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,522 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,523 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,524 even if it does not contain any `.py` files. 2026-04-20T09:48:43,524 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,524 directory, all directories are treated like packages. 2026-04-20T09:48:43,525 ******************************************************************************** 2026-04-20T09:48:43,526 !! 2026-04-20T09:48:43,526 check.warn(importable) 2026-04-20T09:48:43,526 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.MoleculeFormats' is absent from the `packages` configuration. 2026-04-20T09:48:43,527 !! 2026-04-20T09:48:43,528 ******************************************************************************** 2026-04-20T09:48:43,528 ############################ 2026-04-20T09:48:43,529 # Package would be ignored # 2026-04-20T09:48:43,529 ############################ 2026-04-20T09:48:43,529 Python recognizes 'scm.plams.examples.MoleculeFormats' as an importable package[^1], 2026-04-20T09:48:43,530 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,531 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,531 package, please make sure that 'scm.plams.examples.MoleculeFormats' is explicitly added 2026-04-20T09:48:43,532 to the `packages` configuration field. 2026-04-20T09:48:43,532 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,533 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,533 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,534 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,535 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,536 If you don't want 'scm.plams.examples.MoleculeFormats' to be distributed and are 2026-04-20T09:48:43,537 already explicitly excluding 'scm.plams.examples.MoleculeFormats' via 2026-04-20T09:48:43,537 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,538 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,538 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,539 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,540 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,541 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,541 even if it does not contain any `.py` files. 2026-04-20T09:48:43,542 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,542 directory, all directories are treated like packages. 2026-04-20T09:48:43,542 ******************************************************************************** 2026-04-20T09:48:43,543 !! 2026-04-20T09:48:43,543 check.warn(importable) 2026-04-20T09:48:43,544 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.MoleculeSubstitution' is absent from the `packages` configuration. 2026-04-20T09:48:43,544 !! 2026-04-20T09:48:43,545 ******************************************************************************** 2026-04-20T09:48:43,545 ############################ 2026-04-20T09:48:43,546 # Package would be ignored # 2026-04-20T09:48:43,546 ############################ 2026-04-20T09:48:43,546 Python recognizes 'scm.plams.examples.MoleculeSubstitution' as an importable package[^1], 2026-04-20T09:48:43,547 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,547 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,548 package, please make sure that 'scm.plams.examples.MoleculeSubstitution' is explicitly added 2026-04-20T09:48:43,548 to the `packages` configuration field. 2026-04-20T09:48:43,549 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,550 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,550 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,551 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,552 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,552 If you don't want 'scm.plams.examples.MoleculeSubstitution' to be distributed and are 2026-04-20T09:48:43,553 already explicitly excluding 'scm.plams.examples.MoleculeSubstitution' via 2026-04-20T09:48:43,553 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,554 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,554 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,555 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,556 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,557 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,557 even if it does not contain any `.py` files. 2026-04-20T09:48:43,558 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,558 directory, all directories are treated like packages. 2026-04-20T09:48:43,559 ******************************************************************************** 2026-04-20T09:48:43,560 !! 2026-04-20T09:48:43,560 check.warn(importable) 2026-04-20T09:48:43,560 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.MoleculeTools' is absent from the `packages` configuration. 2026-04-20T09:48:43,561 !! 2026-04-20T09:48:43,562 ******************************************************************************** 2026-04-20T09:48:43,562 ############################ 2026-04-20T09:48:43,562 # Package would be ignored # 2026-04-20T09:48:43,563 ############################ 2026-04-20T09:48:43,563 Python recognizes 'scm.plams.examples.MoleculeTools' as an importable package[^1], 2026-04-20T09:48:43,563 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,564 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,565 package, please make sure that 'scm.plams.examples.MoleculeTools' is explicitly added 2026-04-20T09:48:43,565 to the `packages` configuration field. 2026-04-20T09:48:43,566 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,566 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,566 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,567 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,568 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,569 If you don't want 'scm.plams.examples.MoleculeTools' to be distributed and are 2026-04-20T09:48:43,569 already explicitly excluding 'scm.plams.examples.MoleculeTools' via 2026-04-20T09:48:43,569 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,570 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,570 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,571 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,572 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,573 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,574 even if it does not contain any `.py` files. 2026-04-20T09:48:43,574 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,574 directory, all directories are treated like packages. 2026-04-20T09:48:43,575 ******************************************************************************** 2026-04-20T09:48:43,576 !! 2026-04-20T09:48:43,576 check.warn(importable) 2026-04-20T09:48:43,576 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.NumGrad' is absent from the `packages` configuration. 2026-04-20T09:48:43,577 !! 2026-04-20T09:48:43,578 ******************************************************************************** 2026-04-20T09:48:43,578 ############################ 2026-04-20T09:48:43,579 # Package would be ignored # 2026-04-20T09:48:43,579 ############################ 2026-04-20T09:48:43,579 Python recognizes 'scm.plams.examples.NumGrad' as an importable package[^1], 2026-04-20T09:48:43,580 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,581 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,581 package, please make sure that 'scm.plams.examples.NumGrad' is explicitly added 2026-04-20T09:48:43,582 to the `packages` configuration field. 2026-04-20T09:48:43,583 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,583 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,583 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,584 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,585 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,586 If you don't want 'scm.plams.examples.NumGrad' to be distributed and are 2026-04-20T09:48:43,586 already explicitly excluding 'scm.plams.examples.NumGrad' via 2026-04-20T09:48:43,587 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,587 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,587 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,588 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,589 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,590 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,590 even if it does not contain any `.py` files. 2026-04-20T09:48:43,591 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,591 directory, all directories are treated like packages. 2026-04-20T09:48:43,591 ******************************************************************************** 2026-04-20T09:48:43,592 !! 2026-04-20T09:48:43,592 check.warn(importable) 2026-04-20T09:48:43,593 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.NumHess' is absent from the `packages` configuration. 2026-04-20T09:48:43,593 !! 2026-04-20T09:48:43,594 ******************************************************************************** 2026-04-20T09:48:43,594 ############################ 2026-04-20T09:48:43,595 # Package would be ignored # 2026-04-20T09:48:43,595 ############################ 2026-04-20T09:48:43,596 Python recognizes 'scm.plams.examples.NumHess' as an importable package[^1], 2026-04-20T09:48:43,596 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,597 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,597 package, please make sure that 'scm.plams.examples.NumHess' is explicitly added 2026-04-20T09:48:43,597 to the `packages` configuration field. 2026-04-20T09:48:43,598 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,599 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,599 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,600 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,601 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,602 If you don't want 'scm.plams.examples.NumHess' to be distributed and are 2026-04-20T09:48:43,603 already explicitly excluding 'scm.plams.examples.NumHess' via 2026-04-20T09:48:43,603 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,604 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,604 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,605 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,606 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,607 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,608 even if it does not contain any `.py` files. 2026-04-20T09:48:43,608 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,609 directory, all directories are treated like packages. 2026-04-20T09:48:43,609 ******************************************************************************** 2026-04-20T09:48:43,610 !! 2026-04-20T09:48:43,610 check.warn(importable) 2026-04-20T09:48:43,611 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.PackMolExample' is absent from the `packages` configuration. 2026-04-20T09:48:43,611 !! 2026-04-20T09:48:43,612 ******************************************************************************** 2026-04-20T09:48:43,612 ############################ 2026-04-20T09:48:43,613 # Package would be ignored # 2026-04-20T09:48:43,613 ############################ 2026-04-20T09:48:43,613 Python recognizes 'scm.plams.examples.PackMolExample' as an importable package[^1], 2026-04-20T09:48:43,614 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,615 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,615 package, please make sure that 'scm.plams.examples.PackMolExample' is explicitly added 2026-04-20T09:48:43,615 to the `packages` configuration field. 2026-04-20T09:48:43,616 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,616 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,617 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,618 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,619 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,620 If you don't want 'scm.plams.examples.PackMolExample' to be distributed and are 2026-04-20T09:48:43,620 already explicitly excluding 'scm.plams.examples.PackMolExample' via 2026-04-20T09:48:43,620 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,621 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,621 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,622 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,623 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,624 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,625 even if it does not contain any `.py` files. 2026-04-20T09:48:43,625 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,626 directory, all directories are treated like packages. 2026-04-20T09:48:43,626 ******************************************************************************** 2026-04-20T09:48:43,627 !! 2026-04-20T09:48:43,628 check.warn(importable) 2026-04-20T09:48:43,628 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.PlotCorrelation' is absent from the `packages` configuration. 2026-04-20T09:48:43,629 !! 2026-04-20T09:48:43,629 ******************************************************************************** 2026-04-20T09:48:43,630 ############################ 2026-04-20T09:48:43,630 # Package would be ignored # 2026-04-20T09:48:43,631 ############################ 2026-04-20T09:48:43,631 Python recognizes 'scm.plams.examples.PlotCorrelation' as an importable package[^1], 2026-04-20T09:48:43,632 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,633 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,633 package, please make sure that 'scm.plams.examples.PlotCorrelation' is explicitly added 2026-04-20T09:48:43,634 to the `packages` configuration field. 2026-04-20T09:48:43,635 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,635 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,635 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,636 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,637 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,637 If you don't want 'scm.plams.examples.PlotCorrelation' to be distributed and are 2026-04-20T09:48:43,638 already explicitly excluding 'scm.plams.examples.PlotCorrelation' via 2026-04-20T09:48:43,638 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,638 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,639 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,639 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,640 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,641 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,642 even if it does not contain any `.py` files. 2026-04-20T09:48:43,642 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,642 directory, all directories are treated like packages. 2026-04-20T09:48:43,643 ******************************************************************************** 2026-04-20T09:48:43,644 !! 2026-04-20T09:48:43,644 check.warn(importable) 2026-04-20T09:48:43,644 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.PlotReaction2D' is absent from the `packages` configuration. 2026-04-20T09:48:43,645 !! 2026-04-20T09:48:43,646 ******************************************************************************** 2026-04-20T09:48:43,646 ############################ 2026-04-20T09:48:43,647 # Package would be ignored # 2026-04-20T09:48:43,647 ############################ 2026-04-20T09:48:43,647 Python recognizes 'scm.plams.examples.PlotReaction2D' as an importable package[^1], 2026-04-20T09:48:43,648 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,649 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,649 package, please make sure that 'scm.plams.examples.PlotReaction2D' is explicitly added 2026-04-20T09:48:43,650 to the `packages` configuration field. 2026-04-20T09:48:43,650 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,651 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,651 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,652 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,653 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,654 If you don't want 'scm.plams.examples.PlotReaction2D' to be distributed and are 2026-04-20T09:48:43,654 already explicitly excluding 'scm.plams.examples.PlotReaction2D' via 2026-04-20T09:48:43,655 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,655 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,656 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,657 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,657 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,658 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,659 even if it does not contain any `.py` files. 2026-04-20T09:48:43,659 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,659 directory, all directories are treated like packages. 2026-04-20T09:48:43,660 ******************************************************************************** 2026-04-20T09:48:43,660 !! 2026-04-20T09:48:43,661 check.warn(importable) 2026-04-20T09:48:43,661 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.PropertyPrediction' is absent from the `packages` configuration. 2026-04-20T09:48:43,661 !! 2026-04-20T09:48:43,662 ******************************************************************************** 2026-04-20T09:48:43,662 ############################ 2026-04-20T09:48:43,663 # Package would be ignored # 2026-04-20T09:48:43,663 ############################ 2026-04-20T09:48:43,664 Python recognizes 'scm.plams.examples.PropertyPrediction' as an importable package[^1], 2026-04-20T09:48:43,664 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,665 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,665 package, please make sure that 'scm.plams.examples.PropertyPrediction' is explicitly added 2026-04-20T09:48:43,666 to the `packages` configuration field. 2026-04-20T09:48:43,667 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,667 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,668 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,669 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,669 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,670 If you don't want 'scm.plams.examples.PropertyPrediction' to be distributed and are 2026-04-20T09:48:43,671 already explicitly excluding 'scm.plams.examples.PropertyPrediction' via 2026-04-20T09:48:43,671 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,672 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,672 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,673 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,674 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,675 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,675 even if it does not contain any `.py` files. 2026-04-20T09:48:43,676 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,676 directory, all directories are treated like packages. 2026-04-20T09:48:43,677 ******************************************************************************** 2026-04-20T09:48:43,678 !! 2026-04-20T09:48:43,678 check.warn(importable) 2026-04-20T09:48:43,679 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ReactionEnergyBenchmark' is absent from the `packages` configuration. 2026-04-20T09:48:43,679 !! 2026-04-20T09:48:43,680 ******************************************************************************** 2026-04-20T09:48:43,680 ############################ 2026-04-20T09:48:43,681 # Package would be ignored # 2026-04-20T09:48:43,681 ############################ 2026-04-20T09:48:43,681 Python recognizes 'scm.plams.examples.ReactionEnergyBenchmark' as an importable package[^1], 2026-04-20T09:48:43,682 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,682 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,683 package, please make sure that 'scm.plams.examples.ReactionEnergyBenchmark' is explicitly added 2026-04-20T09:48:43,683 to the `packages` configuration field. 2026-04-20T09:48:43,684 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,684 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,685 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,686 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,686 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,687 If you don't want 'scm.plams.examples.ReactionEnergyBenchmark' to be distributed and are 2026-04-20T09:48:43,688 already explicitly excluding 'scm.plams.examples.ReactionEnergyBenchmark' via 2026-04-20T09:48:43,688 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,688 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,689 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,690 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,691 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,692 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,692 even if it does not contain any `.py` files. 2026-04-20T09:48:43,693 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,693 directory, all directories are treated like packages. 2026-04-20T09:48:43,693 ******************************************************************************** 2026-04-20T09:48:43,694 !! 2026-04-20T09:48:43,695 check.warn(importable) 2026-04-20T09:48:43,695 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ReactionsDiscovery' is absent from the `packages` configuration. 2026-04-20T09:48:43,695 !! 2026-04-20T09:48:43,696 ******************************************************************************** 2026-04-20T09:48:43,697 ############################ 2026-04-20T09:48:43,697 # Package would be ignored # 2026-04-20T09:48:43,698 ############################ 2026-04-20T09:48:43,698 Python recognizes 'scm.plams.examples.ReactionsDiscovery' as an importable package[^1], 2026-04-20T09:48:43,699 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,699 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,700 package, please make sure that 'scm.plams.examples.ReactionsDiscovery' is explicitly added 2026-04-20T09:48:43,700 to the `packages` configuration field. 2026-04-20T09:48:43,701 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,702 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,702 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,703 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,704 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,705 If you don't want 'scm.plams.examples.ReactionsDiscovery' to be distributed and are 2026-04-20T09:48:43,705 already explicitly excluding 'scm.plams.examples.ReactionsDiscovery' via 2026-04-20T09:48:43,705 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,706 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,706 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,707 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,708 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,709 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,709 even if it does not contain any `.py` files. 2026-04-20T09:48:43,710 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,710 directory, all directories are treated like packages. 2026-04-20T09:48:43,710 ******************************************************************************** 2026-04-20T09:48:43,711 !! 2026-04-20T09:48:43,711 check.warn(importable) 2026-04-20T09:48:43,712 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ReorganizationEnergy' is absent from the `packages` configuration. 2026-04-20T09:48:43,712 !! 2026-04-20T09:48:43,713 ******************************************************************************** 2026-04-20T09:48:43,714 ############################ 2026-04-20T09:48:43,714 # Package would be ignored # 2026-04-20T09:48:43,714 ############################ 2026-04-20T09:48:43,715 Python recognizes 'scm.plams.examples.ReorganizationEnergy' as an importable package[^1], 2026-04-20T09:48:43,715 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,716 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,717 package, please make sure that 'scm.plams.examples.ReorganizationEnergy' is explicitly added 2026-04-20T09:48:43,717 to the `packages` configuration field. 2026-04-20T09:48:43,718 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,718 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,719 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,720 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,720 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,721 If you don't want 'scm.plams.examples.ReorganizationEnergy' to be distributed and are 2026-04-20T09:48:43,722 already explicitly excluding 'scm.plams.examples.ReorganizationEnergy' via 2026-04-20T09:48:43,722 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,723 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,723 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,724 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,725 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,726 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,727 even if it does not contain any `.py` files. 2026-04-20T09:48:43,727 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,728 directory, all directories are treated like packages. 2026-04-20T09:48:43,728 ******************************************************************************** 2026-04-20T09:48:43,729 !! 2026-04-20T09:48:43,729 check.warn(importable) 2026-04-20T09:48:43,730 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ReuseForceFieldParams' is absent from the `packages` configuration. 2026-04-20T09:48:43,730 !! 2026-04-20T09:48:43,731 ******************************************************************************** 2026-04-20T09:48:43,731 ############################ 2026-04-20T09:48:43,732 # Package would be ignored # 2026-04-20T09:48:43,732 ############################ 2026-04-20T09:48:43,732 Python recognizes 'scm.plams.examples.ReuseForceFieldParams' as an importable package[^1], 2026-04-20T09:48:43,733 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,733 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,734 package, please make sure that 'scm.plams.examples.ReuseForceFieldParams' is explicitly added 2026-04-20T09:48:43,734 to the `packages` configuration field. 2026-04-20T09:48:43,735 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,735 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,736 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,736 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,737 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,738 If you don't want 'scm.plams.examples.ReuseForceFieldParams' to be distributed and are 2026-04-20T09:48:43,738 already explicitly excluding 'scm.plams.examples.ReuseForceFieldParams' via 2026-04-20T09:48:43,739 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,739 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,740 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,740 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,741 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,742 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,743 even if it does not contain any `.py` files. 2026-04-20T09:48:43,743 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,744 directory, all directories are treated like packages. 2026-04-20T09:48:43,744 ******************************************************************************** 2026-04-20T09:48:43,745 !! 2026-04-20T09:48:43,745 check.warn(importable) 2026-04-20T09:48:43,746 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.SerenityAMS_DataTransfer_examples' is absent from the `packages` configuration. 2026-04-20T09:48:43,746 !! 2026-04-20T09:48:43,747 ******************************************************************************** 2026-04-20T09:48:43,747 ############################ 2026-04-20T09:48:43,748 # Package would be ignored # 2026-04-20T09:48:43,748 ############################ 2026-04-20T09:48:43,749 Python recognizes 'scm.plams.examples.SerenityAMS_DataTransfer_examples' as an importable package[^1], 2026-04-20T09:48:43,749 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,750 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,750 package, please make sure that 'scm.plams.examples.SerenityAMS_DataTransfer_examples' is explicitly added 2026-04-20T09:48:43,751 to the `packages` configuration field. 2026-04-20T09:48:43,751 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,752 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,752 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,753 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,753 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,754 If you don't want 'scm.plams.examples.SerenityAMS_DataTransfer_examples' to be distributed and are 2026-04-20T09:48:43,755 already explicitly excluding 'scm.plams.examples.SerenityAMS_DataTransfer_examples' via 2026-04-20T09:48:43,755 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,755 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,756 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,756 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,757 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,758 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,759 even if it does not contain any `.py` files. 2026-04-20T09:48:43,759 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,760 directory, all directories are treated like packages. 2026-04-20T09:48:43,760 ******************************************************************************** 2026-04-20T09:48:43,761 !! 2026-04-20T09:48:43,761 check.warn(importable) 2026-04-20T09:48:43,762 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.SerenityCalculator' is absent from the `packages` configuration. 2026-04-20T09:48:43,762 !! 2026-04-20T09:48:43,763 ******************************************************************************** 2026-04-20T09:48:43,763 ############################ 2026-04-20T09:48:43,764 # Package would be ignored # 2026-04-20T09:48:43,764 ############################ 2026-04-20T09:48:43,765 Python recognizes 'scm.plams.examples.SerenityCalculator' as an importable package[^1], 2026-04-20T09:48:43,765 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,766 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,766 package, please make sure that 'scm.plams.examples.SerenityCalculator' is explicitly added 2026-04-20T09:48:43,767 to the `packages` configuration field. 2026-04-20T09:48:43,767 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,768 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,768 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,769 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,770 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,771 If you don't want 'scm.plams.examples.SerenityCalculator' to be distributed and are 2026-04-20T09:48:43,771 already explicitly excluding 'scm.plams.examples.SerenityCalculator' via 2026-04-20T09:48:43,772 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,772 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,773 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,773 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,774 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,775 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,775 even if it does not contain any `.py` files. 2026-04-20T09:48:43,776 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,776 directory, all directories are treated like packages. 2026-04-20T09:48:43,776 ******************************************************************************** 2026-04-20T09:48:43,777 !! 2026-04-20T09:48:43,777 check.warn(importable) 2026-04-20T09:48:43,778 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.SerenityInterface_examples' is absent from the `packages` configuration. 2026-04-20T09:48:43,778 !! 2026-04-20T09:48:43,779 ******************************************************************************** 2026-04-20T09:48:43,779 ############################ 2026-04-20T09:48:43,779 # Package would be ignored # 2026-04-20T09:48:43,780 ############################ 2026-04-20T09:48:43,780 Python recognizes 'scm.plams.examples.SerenityInterface_examples' as an importable package[^1], 2026-04-20T09:48:43,780 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,781 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,782 package, please make sure that 'scm.plams.examples.SerenityInterface_examples' is explicitly added 2026-04-20T09:48:43,782 to the `packages` configuration field. 2026-04-20T09:48:43,783 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,783 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,784 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,784 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,785 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,786 If you don't want 'scm.plams.examples.SerenityInterface_examples' to be distributed and are 2026-04-20T09:48:43,786 already explicitly excluding 'scm.plams.examples.SerenityInterface_examples' via 2026-04-20T09:48:43,787 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,787 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,788 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,789 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,790 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,791 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,791 even if it does not contain any `.py` files. 2026-04-20T09:48:43,792 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,792 directory, all directories are treated like packages. 2026-04-20T09:48:43,793 ******************************************************************************** 2026-04-20T09:48:43,794 !! 2026-04-20T09:48:43,794 check.warn(importable) 2026-04-20T09:48:43,794 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.TuningRangeSeparation' is absent from the `packages` configuration. 2026-04-20T09:48:43,795 !! 2026-04-20T09:48:43,796 ******************************************************************************** 2026-04-20T09:48:43,796 ############################ 2026-04-20T09:48:43,796 # Package would be ignored # 2026-04-20T09:48:43,797 ############################ 2026-04-20T09:48:43,797 Python recognizes 'scm.plams.examples.TuningRangeSeparation' as an importable package[^1], 2026-04-20T09:48:43,798 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,799 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,799 package, please make sure that 'scm.plams.examples.TuningRangeSeparation' is explicitly added 2026-04-20T09:48:43,799 to the `packages` configuration field. 2026-04-20T09:48:43,800 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,801 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,801 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,802 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,803 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,804 If you don't want 'scm.plams.examples.TuningRangeSeparation' to be distributed and are 2026-04-20T09:48:43,804 already explicitly excluding 'scm.plams.examples.TuningRangeSeparation' via 2026-04-20T09:48:43,805 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,805 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,806 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,807 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,808 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,809 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,810 even if it does not contain any `.py` files. 2026-04-20T09:48:43,810 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,811 directory, all directories are treated like packages. 2026-04-20T09:48:43,811 ******************************************************************************** 2026-04-20T09:48:43,812 !! 2026-04-20T09:48:43,813 check.warn(importable) 2026-04-20T09:48:43,813 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.UseLowestEnergy' is absent from the `packages` configuration. 2026-04-20T09:48:43,814 !! 2026-04-20T09:48:43,815 ******************************************************************************** 2026-04-20T09:48:43,815 ############################ 2026-04-20T09:48:43,815 # Package would be ignored # 2026-04-20T09:48:43,816 ############################ 2026-04-20T09:48:43,816 Python recognizes 'scm.plams.examples.UseLowestEnergy' as an importable package[^1], 2026-04-20T09:48:43,817 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,818 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,818 package, please make sure that 'scm.plams.examples.UseLowestEnergy' is explicitly added 2026-04-20T09:48:43,819 to the `packages` configuration field. 2026-04-20T09:48:43,820 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,820 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,821 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,821 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,822 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,823 If you don't want 'scm.plams.examples.UseLowestEnergy' to be distributed and are 2026-04-20T09:48:43,824 already explicitly excluding 'scm.plams.examples.UseLowestEnergy' via 2026-04-20T09:48:43,824 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,824 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,825 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,826 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,827 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,828 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,828 even if it does not contain any `.py` files. 2026-04-20T09:48:43,829 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,829 directory, all directories are treated like packages. 2026-04-20T09:48:43,830 ******************************************************************************** 2026-04-20T09:48:43,831 !! 2026-04-20T09:48:43,831 check.warn(importable) 2026-04-20T09:48:43,831 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.ViscosityGreenKubo' is absent from the `packages` configuration. 2026-04-20T09:48:43,832 !! 2026-04-20T09:48:43,833 ******************************************************************************** 2026-04-20T09:48:43,833 ############################ 2026-04-20T09:48:43,834 # Package would be ignored # 2026-04-20T09:48:43,834 ############################ 2026-04-20T09:48:43,835 Python recognizes 'scm.plams.examples.ViscosityGreenKubo' as an importable package[^1], 2026-04-20T09:48:43,835 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,836 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,837 package, please make sure that 'scm.plams.examples.ViscosityGreenKubo' is explicitly added 2026-04-20T09:48:43,837 to the `packages` configuration field. 2026-04-20T09:48:43,838 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,839 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,839 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,840 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,841 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,842 If you don't want 'scm.plams.examples.ViscosityGreenKubo' to be distributed and are 2026-04-20T09:48:43,842 already explicitly excluding 'scm.plams.examples.ViscosityGreenKubo' via 2026-04-20T09:48:43,843 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,843 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,844 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,845 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,846 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,847 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,847 even if it does not contain any `.py` files. 2026-04-20T09:48:43,848 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,848 directory, all directories are treated like packages. 2026-04-20T09:48:43,848 ******************************************************************************** 2026-04-20T09:48:43,849 !! 2026-04-20T09:48:43,850 check.warn(importable) 2026-04-20T09:48:43,850 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.WaterOptimization' is absent from the `packages` configuration. 2026-04-20T09:48:43,850 !! 2026-04-20T09:48:43,851 ******************************************************************************** 2026-04-20T09:48:43,851 ############################ 2026-04-20T09:48:43,852 # Package would be ignored # 2026-04-20T09:48:43,852 ############################ 2026-04-20T09:48:43,853 Python recognizes 'scm.plams.examples.WaterOptimization' as an importable package[^1], 2026-04-20T09:48:43,853 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,854 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,855 package, please make sure that 'scm.plams.examples.WaterOptimization' is explicitly added 2026-04-20T09:48:43,855 to the `packages` configuration field. 2026-04-20T09:48:43,856 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,856 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,857 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,858 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,859 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,860 If you don't want 'scm.plams.examples.WaterOptimization' to be distributed and are 2026-04-20T09:48:43,860 already explicitly excluding 'scm.plams.examples.WaterOptimization' via 2026-04-20T09:48:43,861 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,861 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,862 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,863 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,864 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,866 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,866 even if it does not contain any `.py` files. 2026-04-20T09:48:43,867 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,867 directory, all directories are treated like packages. 2026-04-20T09:48:43,868 ******************************************************************************** 2026-04-20T09:48:43,869 !! 2026-04-20T09:48:43,870 check.warn(importable) 2026-04-20T09:48:43,870 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.XRD' is absent from the `packages` configuration. 2026-04-20T09:48:43,871 !! 2026-04-20T09:48:43,872 ******************************************************************************** 2026-04-20T09:48:43,872 ############################ 2026-04-20T09:48:43,873 # Package would be ignored # 2026-04-20T09:48:43,873 ############################ 2026-04-20T09:48:43,874 Python recognizes 'scm.plams.examples.XRD' as an importable package[^1], 2026-04-20T09:48:43,874 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,875 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,876 package, please make sure that 'scm.plams.examples.XRD' is explicitly added 2026-04-20T09:48:43,876 to the `packages` configuration field. 2026-04-20T09:48:43,877 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,877 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,878 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,879 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,880 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,881 If you don't want 'scm.plams.examples.XRD' to be distributed and are 2026-04-20T09:48:43,881 already explicitly excluding 'scm.plams.examples.XRD' via 2026-04-20T09:48:43,881 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,882 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,882 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,883 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,884 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,886 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,886 even if it does not contain any `.py` files. 2026-04-20T09:48:43,887 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,887 directory, all directories are treated like packages. 2026-04-20T09:48:43,888 ******************************************************************************** 2026-04-20T09:48:43,888 !! 2026-04-20T09:48:43,889 check.warn(importable) 2026-04-20T09:48:43,889 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.examples.with_new_input_system' is absent from the `packages` configuration. 2026-04-20T09:48:43,890 !! 2026-04-20T09:48:43,891 ******************************************************************************** 2026-04-20T09:48:43,892 ############################ 2026-04-20T09:48:43,892 # Package would be ignored # 2026-04-20T09:48:43,893 ############################ 2026-04-20T09:48:43,893 Python recognizes 'scm.plams.examples.with_new_input_system' as an importable package[^1], 2026-04-20T09:48:43,894 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,895 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,895 package, please make sure that 'scm.plams.examples.with_new_input_system' is explicitly added 2026-04-20T09:48:43,896 to the `packages` configuration field. 2026-04-20T09:48:43,897 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,897 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,898 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,899 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,899 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,901 If you don't want 'scm.plams.examples.with_new_input_system' to be distributed and are 2026-04-20T09:48:43,901 already explicitly excluding 'scm.plams.examples.with_new_input_system' via 2026-04-20T09:48:43,901 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,902 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,902 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,903 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,904 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,905 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,905 even if it does not contain any `.py` files. 2026-04-20T09:48:43,906 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,906 directory, all directories are treated like packages. 2026-04-20T09:48:43,906 ******************************************************************************** 2026-04-20T09:48:43,907 !! 2026-04-20T09:48:43,908 check.warn(importable) 2026-04-20T09:48:43,908 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.baseline_images.test_tools_plot' is absent from the `packages` configuration. 2026-04-20T09:48:43,909 !! 2026-04-20T09:48:43,909 ******************************************************************************** 2026-04-20T09:48:43,910 ############################ 2026-04-20T09:48:43,910 # Package would be ignored # 2026-04-20T09:48:43,911 ############################ 2026-04-20T09:48:43,911 Python recognizes 'scm.plams.unit_tests.baseline_images.test_tools_plot' as an importable package[^1], 2026-04-20T09:48:43,912 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,913 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,913 package, please make sure that 'scm.plams.unit_tests.baseline_images.test_tools_plot' is explicitly added 2026-04-20T09:48:43,914 to the `packages` configuration field. 2026-04-20T09:48:43,914 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,915 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,915 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,916 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,917 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,918 If you don't want 'scm.plams.unit_tests.baseline_images.test_tools_plot' to be distributed and are 2026-04-20T09:48:43,918 already explicitly excluding 'scm.plams.unit_tests.baseline_images.test_tools_plot' via 2026-04-20T09:48:43,919 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,919 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,920 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,921 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,922 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,923 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,924 even if it does not contain any `.py` files. 2026-04-20T09:48:43,924 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,925 directory, all directories are treated like packages. 2026-04-20T09:48:43,925 ******************************************************************************** 2026-04-20T09:48:43,926 !! 2026-04-20T09:48:43,926 check.warn(importable) 2026-04-20T09:48:43,927 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.coskf' is absent from the `packages` configuration. 2026-04-20T09:48:43,927 !! 2026-04-20T09:48:43,928 ******************************************************************************** 2026-04-20T09:48:43,928 ############################ 2026-04-20T09:48:43,929 # Package would be ignored # 2026-04-20T09:48:43,929 ############################ 2026-04-20T09:48:43,930 Python recognizes 'scm.plams.unit_tests.coskf' as an importable package[^1], 2026-04-20T09:48:43,930 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,931 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,931 package, please make sure that 'scm.plams.unit_tests.coskf' is explicitly added 2026-04-20T09:48:43,932 to the `packages` configuration field. 2026-04-20T09:48:43,932 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,933 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,933 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,934 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,935 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,936 If you don't want 'scm.plams.unit_tests.coskf' to be distributed and are 2026-04-20T09:48:43,936 already explicitly excluding 'scm.plams.unit_tests.coskf' via 2026-04-20T09:48:43,937 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,937 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,938 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,939 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,940 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,941 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,942 even if it does not contain any `.py` files. 2026-04-20T09:48:43,942 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,943 directory, all directories are treated like packages. 2026-04-20T09:48:43,943 ******************************************************************************** 2026-04-20T09:48:43,944 !! 2026-04-20T09:48:43,944 check.warn(importable) 2026-04-20T09:48:43,945 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.pdb' is absent from the `packages` configuration. 2026-04-20T09:48:43,945 !! 2026-04-20T09:48:43,946 ******************************************************************************** 2026-04-20T09:48:43,947 ############################ 2026-04-20T09:48:43,949 # Package would be ignored # 2026-04-20T09:48:43,949 ############################ 2026-04-20T09:48:43,950 Python recognizes 'scm.plams.unit_tests.pdb' as an importable package[^1], 2026-04-20T09:48:43,951 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,952 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,952 package, please make sure that 'scm.plams.unit_tests.pdb' is explicitly added 2026-04-20T09:48:43,953 to the `packages` configuration field. 2026-04-20T09:48:43,954 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,955 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,955 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,956 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,957 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,958 If you don't want 'scm.plams.unit_tests.pdb' to be distributed and are 2026-04-20T09:48:43,959 already explicitly excluding 'scm.plams.unit_tests.pdb' via 2026-04-20T09:48:43,960 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,960 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,961 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,962 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,963 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,965 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,965 even if it does not contain any `.py` files. 2026-04-20T09:48:43,966 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,967 directory, all directories are treated like packages. 2026-04-20T09:48:43,967 ******************************************************************************** 2026-04-20T09:48:43,970 !! 2026-04-20T09:48:43,971 check.warn(importable) 2026-04-20T09:48:43,971 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.rkf.conformers' is absent from the `packages` configuration. 2026-04-20T09:48:43,972 !! 2026-04-20T09:48:43,973 ******************************************************************************** 2026-04-20T09:48:43,973 ############################ 2026-04-20T09:48:43,974 # Package would be ignored # 2026-04-20T09:48:43,974 ############################ 2026-04-20T09:48:43,974 Python recognizes 'scm.plams.unit_tests.rkf.conformers' as an importable package[^1], 2026-04-20T09:48:43,975 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,976 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,976 package, please make sure that 'scm.plams.unit_tests.rkf.conformers' is explicitly added 2026-04-20T09:48:43,977 to the `packages` configuration field. 2026-04-20T09:48:43,978 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:43,978 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:43,979 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:43,980 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:43,981 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:43,981 If you don't want 'scm.plams.unit_tests.rkf.conformers' to be distributed and are 2026-04-20T09:48:43,982 already explicitly excluding 'scm.plams.unit_tests.rkf.conformers' via 2026-04-20T09:48:43,982 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:43,983 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:43,983 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:43,984 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:43,985 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:43,986 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:43,987 even if it does not contain any `.py` files. 2026-04-20T09:48:43,987 On the other hand, currently there is no concept of package data 2026-04-20T09:48:43,989 directory, all directories are treated like packages. 2026-04-20T09:48:43,991 ******************************************************************************** 2026-04-20T09:48:43,992 !! 2026-04-20T09:48:43,992 check.warn(importable) 2026-04-20T09:48:43,992 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.rkf.propanenitrile' is absent from the `packages` configuration. 2026-04-20T09:48:43,993 !! 2026-04-20T09:48:43,994 ******************************************************************************** 2026-04-20T09:48:43,995 ############################ 2026-04-20T09:48:43,995 # Package would be ignored # 2026-04-20T09:48:43,996 ############################ 2026-04-20T09:48:43,996 Python recognizes 'scm.plams.unit_tests.rkf.propanenitrile' as an importable package[^1], 2026-04-20T09:48:43,997 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:43,998 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:43,999 package, please make sure that 'scm.plams.unit_tests.rkf.propanenitrile' is explicitly added 2026-04-20T09:48:44,000 to the `packages` configuration field. 2026-04-20T09:48:44,003 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:44,004 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:44,005 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:44,007 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:44,008 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:44,018 If you don't want 'scm.plams.unit_tests.rkf.propanenitrile' to be distributed and are 2026-04-20T09:48:44,019 already explicitly excluding 'scm.plams.unit_tests.rkf.propanenitrile' via 2026-04-20T09:48:44,019 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:44,020 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:44,021 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:44,022 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:44,023 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:44,024 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:44,025 even if it does not contain any `.py` files. 2026-04-20T09:48:44,025 On the other hand, currently there is no concept of package data 2026-04-20T09:48:44,026 directory, all directories are treated like packages. 2026-04-20T09:48:44,026 ******************************************************************************** 2026-04-20T09:48:44,027 !! 2026-04-20T09:48:44,028 check.warn(importable) 2026-04-20T09:48:44,028 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.rkf.tools_plot.Al_surface' is absent from the `packages` configuration. 2026-04-20T09:48:44,029 !! 2026-04-20T09:48:44,030 ******************************************************************************** 2026-04-20T09:48:44,030 ############################ 2026-04-20T09:48:44,031 # Package would be ignored # 2026-04-20T09:48:44,031 ############################ 2026-04-20T09:48:44,032 Python recognizes 'scm.plams.unit_tests.rkf.tools_plot.Al_surface' as an importable package[^1], 2026-04-20T09:48:44,032 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:44,033 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:44,033 package, please make sure that 'scm.plams.unit_tests.rkf.tools_plot.Al_surface' is explicitly added 2026-04-20T09:48:44,034 to the `packages` configuration field. 2026-04-20T09:48:44,034 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:44,035 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:44,035 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:44,036 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:44,037 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:44,038 If you don't want 'scm.plams.unit_tests.rkf.tools_plot.Al_surface' to be distributed and are 2026-04-20T09:48:44,038 already explicitly excluding 'scm.plams.unit_tests.rkf.tools_plot.Al_surface' via 2026-04-20T09:48:44,039 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:44,039 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:44,040 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:44,041 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:44,042 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:44,043 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:44,044 even if it does not contain any `.py` files. 2026-04-20T09:48:44,044 On the other hand, currently there is no concept of package data 2026-04-20T09:48:44,045 directory, all directories are treated like packages. 2026-04-20T09:48:44,045 ******************************************************************************** 2026-04-20T09:48:44,046 !! 2026-04-20T09:48:44,047 check.warn(importable) 2026-04-20T09:48:44,047 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.rkf.tools_plot.Diamond' is absent from the `packages` configuration. 2026-04-20T09:48:44,048 !! 2026-04-20T09:48:44,049 ******************************************************************************** 2026-04-20T09:48:44,049 ############################ 2026-04-20T09:48:44,050 # Package would be ignored # 2026-04-20T09:48:44,050 ############################ 2026-04-20T09:48:44,051 Python recognizes 'scm.plams.unit_tests.rkf.tools_plot.Diamond' as an importable package[^1], 2026-04-20T09:48:44,052 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:44,053 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:44,053 package, please make sure that 'scm.plams.unit_tests.rkf.tools_plot.Diamond' is explicitly added 2026-04-20T09:48:44,054 to the `packages` configuration field. 2026-04-20T09:48:44,055 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:44,055 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:44,056 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:44,107 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:44,158 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:44,159 If you don't want 'scm.plams.unit_tests.rkf.tools_plot.Diamond' to be distributed and are 2026-04-20T09:48:44,160 already explicitly excluding 'scm.plams.unit_tests.rkf.tools_plot.Diamond' via 2026-04-20T09:48:44,160 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:44,160 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:44,161 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:44,161 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:44,162 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:44,163 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:44,164 even if it does not contain any `.py` files. 2026-04-20T09:48:44,164 On the other hand, currently there is no concept of package data 2026-04-20T09:48:44,165 directory, all directories are treated like packages. 2026-04-20T09:48:44,165 ******************************************************************************** 2026-04-20T09:48:44,166 !! 2026-04-20T09:48:44,167 check.warn(importable) 2026-04-20T09:48:44,167 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.rkf.tools_plot.NiO' is absent from the `packages` configuration. 2026-04-20T09:48:44,168 !! 2026-04-20T09:48:44,169 ******************************************************************************** 2026-04-20T09:48:44,170 ############################ 2026-04-20T09:48:44,171 # Package would be ignored # 2026-04-20T09:48:44,171 ############################ 2026-04-20T09:48:44,172 Python recognizes 'scm.plams.unit_tests.rkf.tools_plot.NiO' as an importable package[^1], 2026-04-20T09:48:44,173 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:44,174 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:44,174 package, please make sure that 'scm.plams.unit_tests.rkf.tools_plot.NiO' is explicitly added 2026-04-20T09:48:44,175 to the `packages` configuration field. 2026-04-20T09:48:44,176 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:44,177 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:44,177 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:44,179 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:44,180 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:44,181 If you don't want 'scm.plams.unit_tests.rkf.tools_plot.NiO' to be distributed and are 2026-04-20T09:48:44,181 already explicitly excluding 'scm.plams.unit_tests.rkf.tools_plot.NiO' via 2026-04-20T09:48:44,182 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:44,183 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:44,183 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:44,185 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:44,186 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:44,188 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:44,189 even if it does not contain any `.py` files. 2026-04-20T09:48:44,190 On the other hand, currently there is no concept of package data 2026-04-20T09:48:44,191 directory, all directories are treated like packages. 2026-04-20T09:48:44,191 ******************************************************************************** 2026-04-20T09:48:44,193 !! 2026-04-20T09:48:44,193 check.warn(importable) 2026-04-20T09:48:44,194 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.rkf.tools_plot' is absent from the `packages` configuration. 2026-04-20T09:48:44,194 !! 2026-04-20T09:48:44,196 ******************************************************************************** 2026-04-20T09:48:44,196 ############################ 2026-04-20T09:48:44,197 # Package would be ignored # 2026-04-20T09:48:44,198 ############################ 2026-04-20T09:48:44,198 Python recognizes 'scm.plams.unit_tests.rkf.tools_plot' as an importable package[^1], 2026-04-20T09:48:44,199 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:44,200 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:44,201 package, please make sure that 'scm.plams.unit_tests.rkf.tools_plot' is explicitly added 2026-04-20T09:48:44,202 to the `packages` configuration field. 2026-04-20T09:48:44,204 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:44,204 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:44,205 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:44,207 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:44,208 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:44,209 If you don't want 'scm.plams.unit_tests.rkf.tools_plot' to be distributed and are 2026-04-20T09:48:44,210 already explicitly excluding 'scm.plams.unit_tests.rkf.tools_plot' via 2026-04-20T09:48:44,211 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:44,212 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:44,213 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:44,214 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:44,215 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:44,217 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:44,217 even if it does not contain any `.py` files. 2026-04-20T09:48:44,218 On the other hand, currently there is no concept of package data 2026-04-20T09:48:44,218 directory, all directories are treated like packages. 2026-04-20T09:48:44,219 ******************************************************************************** 2026-04-20T09:48:44,220 !! 2026-04-20T09:48:44,221 check.warn(importable) 2026-04-20T09:48:44,221 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.rkf.tools_plot.md' is absent from the `packages` configuration. 2026-04-20T09:48:44,222 !! 2026-04-20T09:48:44,223 ******************************************************************************** 2026-04-20T09:48:44,224 ############################ 2026-04-20T09:48:44,224 # Package would be ignored # 2026-04-20T09:48:44,225 ############################ 2026-04-20T09:48:44,225 Python recognizes 'scm.plams.unit_tests.rkf.tools_plot.md' as an importable package[^1], 2026-04-20T09:48:44,226 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:44,234 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:44,238 package, please make sure that 'scm.plams.unit_tests.rkf.tools_plot.md' is explicitly added 2026-04-20T09:48:44,238 to the `packages` configuration field. 2026-04-20T09:48:44,240 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:44,240 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:44,241 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:44,242 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:44,243 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:44,244 If you don't want 'scm.plams.unit_tests.rkf.tools_plot.md' to be distributed and are 2026-04-20T09:48:44,244 already explicitly excluding 'scm.plams.unit_tests.rkf.tools_plot.md' via 2026-04-20T09:48:44,245 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:44,246 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:44,246 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:44,249 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:44,250 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:44,252 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:44,253 even if it does not contain any `.py` files. 2026-04-20T09:48:44,253 On the other hand, currently there is no concept of package data 2026-04-20T09:48:44,254 directory, all directories are treated like packages. 2026-04-20T09:48:44,255 ******************************************************************************** 2026-04-20T09:48:44,256 !! 2026-04-20T09:48:44,256 check.warn(importable) 2026-04-20T09:48:44,257 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.rkf.tools_plot.md.msd' is absent from the `packages` configuration. 2026-04-20T09:48:44,257 !! 2026-04-20T09:48:44,259 ******************************************************************************** 2026-04-20T09:48:44,260 ############################ 2026-04-20T09:48:44,261 # Package would be ignored # 2026-04-20T09:48:44,262 ############################ 2026-04-20T09:48:44,262 Python recognizes 'scm.plams.unit_tests.rkf.tools_plot.md.msd' as an importable package[^1], 2026-04-20T09:48:44,263 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:44,264 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:44,264 package, please make sure that 'scm.plams.unit_tests.rkf.tools_plot.md.msd' is explicitly added 2026-04-20T09:48:44,265 to the `packages` configuration field. 2026-04-20T09:48:44,266 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:44,267 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:44,267 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:44,269 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:44,270 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:44,272 If you don't want 'scm.plams.unit_tests.rkf.tools_plot.md.msd' to be distributed and are 2026-04-20T09:48:44,272 already explicitly excluding 'scm.plams.unit_tests.rkf.tools_plot.md.msd' via 2026-04-20T09:48:44,273 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:44,274 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:44,274 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:44,276 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:44,277 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:44,279 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:44,280 even if it does not contain any `.py` files. 2026-04-20T09:48:44,280 On the other hand, currently there is no concept of package data 2026-04-20T09:48:44,281 directory, all directories are treated like packages. 2026-04-20T09:48:44,282 ******************************************************************************** 2026-04-20T09:48:44,283 !! 2026-04-20T09:48:44,284 check.warn(importable) 2026-04-20T09:48:44,284 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.rkf.water_optimization' is absent from the `packages` configuration. 2026-04-20T09:48:44,285 !! 2026-04-20T09:48:44,286 ******************************************************************************** 2026-04-20T09:48:44,287 ############################ 2026-04-20T09:48:44,287 # Package would be ignored # 2026-04-20T09:48:44,288 ############################ 2026-04-20T09:48:44,288 Python recognizes 'scm.plams.unit_tests.rkf.water_optimization' as an importable package[^1], 2026-04-20T09:48:44,289 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:44,290 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:44,290 package, please make sure that 'scm.plams.unit_tests.rkf.water_optimization' is explicitly added 2026-04-20T09:48:44,291 to the `packages` configuration field. 2026-04-20T09:48:44,294 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:44,295 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:44,295 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:44,296 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:44,297 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:44,298 If you don't want 'scm.plams.unit_tests.rkf.water_optimization' to be distributed and are 2026-04-20T09:48:44,299 already explicitly excluding 'scm.plams.unit_tests.rkf.water_optimization' via 2026-04-20T09:48:44,299 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:44,300 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:44,300 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:44,301 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:44,303 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:44,305 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:44,305 even if it does not contain any `.py` files. 2026-04-20T09:48:44,306 On the other hand, currently there is no concept of package data 2026-04-20T09:48:44,306 directory, all directories are treated like packages. 2026-04-20T09:48:44,307 ******************************************************************************** 2026-04-20T09:48:44,308 !! 2026-04-20T09:48:44,308 check.warn(importable) 2026-04-20T09:48:44,309 /tmp/pip-build-env-dzldhgjt/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'scm.plams.unit_tests.xyz' is absent from the `packages` configuration. 2026-04-20T09:48:44,310 !! 2026-04-20T09:48:44,310 ******************************************************************************** 2026-04-20T09:48:44,311 ############################ 2026-04-20T09:48:44,312 # Package would be ignored # 2026-04-20T09:48:44,312 ############################ 2026-04-20T09:48:44,313 Python recognizes 'scm.plams.unit_tests.xyz' as an importable package[^1], 2026-04-20T09:48:44,313 but it is absent from setuptools' `packages` configuration. 2026-04-20T09:48:44,314 This leads to an ambiguous overall configuration. If you want to distribute this 2026-04-20T09:48:44,315 package, please make sure that 'scm.plams.unit_tests.xyz' is explicitly added 2026-04-20T09:48:44,315 to the `packages` configuration field. 2026-04-20T09:48:44,316 Alternatively, you can also rely on setuptools' discovery methods 2026-04-20T09:48:44,316 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-04-20T09:48:44,317 instead of `find_packages(...)`/`find:`). 2026-04-20T09:48:44,318 You can read more about "package discovery" on setuptools documentation page: 2026-04-20T09:48:44,319 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-04-20T09:48:44,320 If you don't want 'scm.plams.unit_tests.xyz' to be distributed and are 2026-04-20T09:48:44,320 already explicitly excluding 'scm.plams.unit_tests.xyz' via 2026-04-20T09:48:44,321 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-04-20T09:48:44,321 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-04-20T09:48:44,322 combination with a more fine grained `package-data` configuration. 2026-04-20T09:48:44,323 You can read more about "package data files" on setuptools documentation page: 2026-04-20T09:48:44,324 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-04-20T09:48:44,325 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-04-20T09:48:44,326 even if it does not contain any `.py` files. 2026-04-20T09:48:44,326 On the other hand, currently there is no concept of package data 2026-04-20T09:48:44,327 directory, all directories are treated like packages. 2026-04-20T09:48:44,327 ******************************************************************************** 2026-04-20T09:48:44,328 !! 2026-04-20T09:48:44,329 check.warn(importable) 2026-04-20T09:48:44,329 copying ./.flake8 -> build/lib/scm/plams 2026-04-20T09:48:44,330 creating build/lib/scm/plams/examples 2026-04-20T09:48:44,330 copying ./examples/BAND_NiO_HubbardU.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,331 copying ./examples/ConvertToAMSRKFTrajectory.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,331 copying ./examples/CustomASECalculator.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,332 copying ./examples/MoleculesFromRKFTrajectory.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,332 copying ./examples/MoleculesTable.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,333 copying ./examples/QE_AMS_AFM_HubbardU.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,333 copying ./examples/README.md -> build/lib/scm/plams/examples 2026-04-20T09:48:44,334 copying ./examples/ReactionEnergyBenchmark.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,334 copying ./examples/ReductionOxidationPotentials.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,335 copying ./examples/SellaTransitionStateSearch.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,335 copying ./examples/ams_crs.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,335 copying ./examples/ams_pyCRS.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,336 copying ./examples/balance_equations.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,336 copying ./examples/generate_example.sh -> build/lib/scm/plams/examples 2026-04-20T09:48:44,337 copying ./examples/get_hbonds.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,337 copying ./examples/get_irspectrum.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,338 copying ./examples/get_water_indices.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,338 copying ./examples/molecules_ReactionEnergyBenchmark.zip -> build/lib/scm/plams/examples 2026-04-20T09:48:44,339 copying ./examples/nbconvert_utils.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,339 copying ./examples/numgrad.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,340 copying ./examples/rkf_to_wrapped_dcd.py -> build/lib/scm/plams/examples 2026-04-20T09:48:44,340 creating build/lib/scm/plams/examples/ADFFrag 2026-04-20T09:48:44,340 copying ./examples/ADFFrag/adffrag.ipynb -> build/lib/scm/plams/examples/ADFFrag 2026-04-20T09:48:44,341 copying ./examples/ADFFrag/adffrag.py -> build/lib/scm/plams/examples/ADFFrag 2026-04-20T09:48:44,341 copying ./examples/ADFFrag/butadiene.xyz -> build/lib/scm/plams/examples/ADFFrag 2026-04-20T09:48:44,342 copying ./examples/ADFFrag/ethene.xyz -> build/lib/scm/plams/examples/ADFFrag 2026-04-20T09:48:44,342 creating build/lib/scm/plams/examples/ADFNBO 2026-04-20T09:48:44,343 copying ./examples/ADFNBO/ADFNBO.ipynb -> build/lib/scm/plams/examples/ADFNBO 2026-04-20T09:48:44,343 copying ./examples/ADFNBO/ADFNBO.py -> build/lib/scm/plams/examples/ADFNBO 2026-04-20T09:48:44,344 creating build/lib/scm/plams/examples/ADFVibronicDOS 2026-04-20T09:48:44,344 copying ./examples/ADFVibronicDOS/ADFVibronicDOS.ipynb -> build/lib/scm/plams/examples/ADFVibronicDOS 2026-04-20T09:48:44,345 copying ./examples/ADFVibronicDOS/ADFVibronicDOS.py -> build/lib/scm/plams/examples/ADFVibronicDOS 2026-04-20T09:48:44,345 creating build/lib/scm/plams/examples/AMSPlumedMD 2026-04-20T09:48:44,346 copying ./examples/AMSPlumedMD/ams_plumed.ipynb -> build/lib/scm/plams/examples/AMSPlumedMD 2026-04-20T09:48:44,346 copying ./examples/AMSPlumedMD/ams_plumed.py -> build/lib/scm/plams/examples/AMSPlumedMD 2026-04-20T09:48:44,347 creating build/lib/scm/plams/examples/AMSSettingsInput 2026-04-20T09:48:44,348 copying ./examples/AMSSettingsInput/ams_settings_input.ipynb -> build/lib/scm/plams/examples/AMSSettingsInput 2026-04-20T09:48:44,348 copying ./examples/AMSSettingsInput/ams_settings_input.py -> build/lib/scm/plams/examples/AMSSettingsInput 2026-04-20T09:48:44,349 creating build/lib/scm/plams/examples/AMSSettingsSystem 2026-04-20T09:48:44,349 copying ./examples/AMSSettingsSystem/ams_settings_system.ipynb -> build/lib/scm/plams/examples/AMSSettingsSystem 2026-04-20T09:48:44,350 copying ./examples/AMSSettingsSystem/ams_settings_system.py -> build/lib/scm/plams/examples/AMSSettingsSystem 2026-04-20T09:48:44,350 creating build/lib/scm/plams/examples/AMSTSWorkflow 2026-04-20T09:48:44,351 copying ./examples/AMSTSWorkflow/diels_alder_addition.ipynb -> build/lib/scm/plams/examples/AMSTSWorkflow 2026-04-20T09:48:44,351 copying ./examples/AMSTSWorkflow/diels_alder_addition.py -> build/lib/scm/plams/examples/AMSTSWorkflow 2026-04-20T09:48:44,352 creating build/lib/scm/plams/examples/ASECalculator 2026-04-20T09:48:44,352 copying ./examples/ASECalculator/ASECalculator.ipynb -> build/lib/scm/plams/examples/ASECalculator 2026-04-20T09:48:44,353 copying ./examples/ASECalculator/ASECalculator.py -> build/lib/scm/plams/examples/ASECalculator 2026-04-20T09:48:44,353 copying ./examples/ASECalculator/ase_calculator.py -> build/lib/scm/plams/examples/ASECalculator 2026-04-20T09:48:44,354 creating build/lib/scm/plams/examples/BandStructure 2026-04-20T09:48:44,354 copying ./examples/BandStructure/BandStructure.ipynb -> build/lib/scm/plams/examples/BandStructure 2026-04-20T09:48:44,355 copying ./examples/BandStructure/BandStructure.py -> build/lib/scm/plams/examples/BandStructure 2026-04-20T09:48:44,355 creating build/lib/scm/plams/examples/BasicMDAnalysis 2026-04-20T09:48:44,356 copying ./examples/BasicMDAnalysis/BasicMDPostanalysis.ipynb -> build/lib/scm/plams/examples/BasicMDAnalysis 2026-04-20T09:48:44,356 copying ./examples/BasicMDAnalysis/BasicMDPostanalysis.py -> build/lib/scm/plams/examples/BasicMDAnalysis 2026-04-20T09:48:44,357 copying ./examples/BasicMDAnalysis/ams.rkf -> build/lib/scm/plams/examples/BasicMDAnalysis 2026-04-20T09:48:44,357 creating build/lib/scm/plams/examples/BasisSetBenchmark 2026-04-20T09:48:44,357 copying ./examples/BasisSetBenchmark/BasisSetBenchmark.ipynb -> build/lib/scm/plams/examples/BasisSetBenchmark 2026-04-20T09:48:44,358 copying ./examples/BasisSetBenchmark/BasisSetBenchmark.py -> build/lib/scm/plams/examples/BasisSetBenchmark 2026-04-20T09:48:44,359 creating build/lib/scm/plams/examples/COSMORSCompound 2026-04-20T09:48:44,359 copying ./examples/COSMORSCompound/compounds_xyz.zip -> build/lib/scm/plams/examples/COSMORSCompound 2026-04-20T09:48:44,360 copying ./examples/COSMORSCompound/cosmors_compound.ipynb -> build/lib/scm/plams/examples/COSMORSCompound 2026-04-20T09:48:44,361 copying ./examples/COSMORSCompound/cosmors_compound.py -> build/lib/scm/plams/examples/COSMORSCompound 2026-04-20T09:48:44,361 creating build/lib/scm/plams/examples/COSMORSConformers 2026-04-20T09:48:44,362 copying ./examples/COSMORSConformers/cosmors_conformers.ipynb -> build/lib/scm/plams/examples/COSMORSConformers 2026-04-20T09:48:44,362 copying ./examples/COSMORSConformers/cosmors_conformers.py -> build/lib/scm/plams/examples/COSMORSConformers 2026-04-20T09:48:44,363 creating build/lib/scm/plams/examples/ChargeTransferIntegralsADF 2026-04-20T09:48:44,363 copying ./examples/ChargeTransferIntegralsADF/BenzeneDimer.xyz -> build/lib/scm/plams/examples/ChargeTransferIntegralsADF 2026-04-20T09:48:44,364 copying ./examples/ChargeTransferIntegralsADF/ChargeTransferIntegralsADF.ipynb -> build/lib/scm/plams/examples/ChargeTransferIntegralsADF 2026-04-20T09:48:44,364 copying ./examples/ChargeTransferIntegralsADF/ChargeTransferIntegralsADF.py -> build/lib/scm/plams/examples/ChargeTransferIntegralsADF 2026-04-20T09:48:44,364 creating build/lib/scm/plams/examples/ChargedAMSCalculator 2026-04-20T09:48:44,365 copying ./examples/ChargedAMSCalculator/ChargedAMSCalculator.ipynb -> build/lib/scm/plams/examples/ChargedAMSCalculator 2026-04-20T09:48:44,366 copying ./examples/ChargedAMSCalculator/ChargedAMSCalculator.py -> build/lib/scm/plams/examples/ChargedAMSCalculator 2026-04-20T09:48:44,366 creating build/lib/scm/plams/examples/ConformersGeneration 2026-04-20T09:48:44,366 copying ./examples/ConformersGeneration/ConformersGeneration.py -> build/lib/scm/plams/examples/ConformersGeneration 2026-04-20T09:48:44,367 copying ./examples/ConformersGeneration/conformers.ipynb -> build/lib/scm/plams/examples/ConformersGeneration 2026-04-20T09:48:44,367 copying ./examples/ConformersGeneration/conformers.py -> build/lib/scm/plams/examples/ConformersGeneration 2026-04-20T09:48:44,368 creating build/lib/scm/plams/examples/ConformersMultipleMolecules 2026-04-20T09:48:44,368 copying ./examples/ConformersMultipleMolecules/conformers.ipynb -> build/lib/scm/plams/examples/ConformersMultipleMolecules 2026-04-20T09:48:44,369 copying ./examples/ConformersMultipleMolecules/conformers.py -> build/lib/scm/plams/examples/ConformersMultipleMolecules 2026-04-20T09:48:44,370 creating build/lib/scm/plams/examples/ConstrainedGOAMSWorker 2026-04-20T09:48:44,370 copying ./examples/ConstrainedGOAMSWorker/ConstrainedGOAMSWorker.ipynb -> build/lib/scm/plams/examples/ConstrainedGOAMSWorker 2026-04-20T09:48:44,371 copying ./examples/ConstrainedGOAMSWorker/ConstrainedGOAMSWorker.py -> build/lib/scm/plams/examples/ConstrainedGOAMSWorker 2026-04-20T09:48:44,371 creating build/lib/scm/plams/examples/ExcitationsWorkflow 2026-04-20T09:48:44,372 copying ./examples/ExcitationsWorkflow/ExcitationsWorkflow.ipynb -> build/lib/scm/plams/examples/ExcitationsWorkflow 2026-04-20T09:48:44,373 copying ./examples/ExcitationsWorkflow/ExcitationsWorkflow.py -> build/lib/scm/plams/examples/ExcitationsWorkflow 2026-04-20T09:48:44,373 copying ./examples/ExcitationsWorkflow/molecules.tar -> build/lib/scm/plams/examples/ExcitationsWorkflow 2026-04-20T09:48:44,374 creating build/lib/scm/plams/examples/He2DissociationCurve 2026-04-20T09:48:44,374 copying ./examples/He2DissociationCurve/He2DissociationCurve.ipynb -> build/lib/scm/plams/examples/He2DissociationCurve 2026-04-20T09:48:44,374 copying ./examples/He2DissociationCurve/He2DissociationCurve.py -> build/lib/scm/plams/examples/He2DissociationCurve 2026-04-20T09:48:44,375 creating build/lib/scm/plams/examples/IRSpectrumFromMD 2026-04-20T09:48:44,375 copying ./examples/IRSpectrumFromMD/ir_spectrum_from_md.ipynb -> build/lib/scm/plams/examples/IRSpectrumFromMD 2026-04-20T09:48:44,376 copying ./examples/IRSpectrumFromMD/ir_spectrum_from_md.py -> build/lib/scm/plams/examples/IRSpectrumFromMD 2026-04-20T09:48:44,376 creating build/lib/scm/plams/examples/IonicConductivity 2026-04-20T09:48:44,376 copying ./examples/IonicConductivity/NaClwater.py -> build/lib/scm/plams/examples/IonicConductivity 2026-04-20T09:48:44,377 copying ./examples/IonicConductivity/get_ionic_conductivity.py -> build/lib/scm/plams/examples/IonicConductivity 2026-04-20T09:48:44,377 creating build/lib/scm/plams/examples/JobAnalysis 2026-04-20T09:48:44,378 copying ./examples/JobAnalysis/job_analysis.ipynb -> build/lib/scm/plams/examples/JobAnalysis 2026-04-20T09:48:44,378 copying ./examples/JobAnalysis/job_analysis.py -> build/lib/scm/plams/examples/JobAnalysis 2026-04-20T09:48:44,379 creating build/lib/scm/plams/examples/Logging 2026-04-20T09:48:44,379 copying ./examples/Logging/logging_example.ipynb -> build/lib/scm/plams/examples/Logging 2026-04-20T09:48:44,380 copying ./examples/Logging/logging_example.py -> build/lib/scm/plams/examples/Logging 2026-04-20T09:48:44,380 creating build/lib/scm/plams/examples/M3GNet 2026-04-20T09:48:44,381 copying ./examples/M3GNet/M3GNet.ipynb -> build/lib/scm/plams/examples/M3GNet 2026-04-20T09:48:44,381 copying ./examples/M3GNet/M3GNet.py -> build/lib/scm/plams/examples/M3GNet 2026-04-20T09:48:44,382 creating build/lib/scm/plams/examples/ManyJobsInParallel 2026-04-20T09:48:44,382 copying ./examples/ManyJobsInParallel/ManyJobsInParallel.ipynb -> build/lib/scm/plams/examples/ManyJobsInParallel 2026-04-20T09:48:44,383 copying ./examples/ManyJobsInParallel/ManyJobsInParallel.py -> build/lib/scm/plams/examples/ManyJobsInParallel 2026-04-20T09:48:44,383 copying ./examples/ManyJobsInParallel/molecules.tar -> build/lib/scm/plams/examples/ManyJobsInParallel 2026-04-20T09:48:44,384 creating build/lib/scm/plams/examples/MoleculeFormats 2026-04-20T09:48:44,384 copying ./examples/MoleculeFormats/MoleculeFormats.ipynb -> build/lib/scm/plams/examples/MoleculeFormats 2026-04-20T09:48:44,385 copying ./examples/MoleculeFormats/MoleculeFormats.py -> build/lib/scm/plams/examples/MoleculeFormats 2026-04-20T09:48:44,385 creating build/lib/scm/plams/examples/MoleculeSubstitution 2026-04-20T09:48:44,386 copying ./examples/MoleculeSubstitution/MoleculeSubstitution.ipynb -> build/lib/scm/plams/examples/MoleculeSubstitution 2026-04-20T09:48:44,386 copying ./examples/MoleculeSubstitution/MoleculeSubstitution.py -> build/lib/scm/plams/examples/MoleculeSubstitution 2026-04-20T09:48:44,387 creating build/lib/scm/plams/examples/MoleculeTools 2026-04-20T09:48:44,387 copying ./examples/MoleculeTools/molecule_tools.ipynb -> build/lib/scm/plams/examples/MoleculeTools 2026-04-20T09:48:44,388 creating build/lib/scm/plams/examples/NumGrad 2026-04-20T09:48:44,388 copying ./examples/NumGrad/NumGrad.ipynb -> build/lib/scm/plams/examples/NumGrad 2026-04-20T09:48:44,389 copying ./examples/NumGrad/NumGrad.py -> build/lib/scm/plams/examples/NumGrad 2026-04-20T09:48:44,389 creating build/lib/scm/plams/examples/NumHess 2026-04-20T09:48:44,390 copying ./examples/NumHess/NumHess.ipynb -> build/lib/scm/plams/examples/NumHess 2026-04-20T09:48:44,390 copying ./examples/NumHess/NumHess.py -> build/lib/scm/plams/examples/NumHess 2026-04-20T09:48:44,391 creating build/lib/scm/plams/examples/PackMolExample 2026-04-20T09:48:44,391 copying ./examples/PackMolExample/PackMol.ipynb -> build/lib/scm/plams/examples/PackMolExample 2026-04-20T09:48:44,405 copying ./examples/PackMolExample/PackMol.py -> build/lib/scm/plams/examples/PackMolExample 2026-04-20T09:48:44,408 creating build/lib/scm/plams/examples/PlotCorrelation 2026-04-20T09:48:44,409 copying ./examples/PlotCorrelation/plot_correlation.ipynb -> build/lib/scm/plams/examples/PlotCorrelation 2026-04-20T09:48:44,418 copying ./examples/PlotCorrelation/plot_correlation.py -> build/lib/scm/plams/examples/PlotCorrelation 2026-04-20T09:48:44,420 creating build/lib/scm/plams/examples/PlotReaction2D 2026-04-20T09:48:44,421 copying ./examples/PlotReaction2D/PlotReaction2D.ipynb -> build/lib/scm/plams/examples/PlotReaction2D 2026-04-20T09:48:44,424 copying ./examples/PlotReaction2D/PlotReaction2D.py -> build/lib/scm/plams/examples/PlotReaction2D 2026-04-20T09:48:44,426 creating build/lib/scm/plams/examples/PropertyPrediction 2026-04-20T09:48:44,427 copying ./examples/PropertyPrediction/property_prediction.ipynb -> build/lib/scm/plams/examples/PropertyPrediction 2026-04-20T09:48:44,431 copying ./examples/PropertyPrediction/property_prediction.py -> build/lib/scm/plams/examples/PropertyPrediction 2026-04-20T09:48:44,433 creating build/lib/scm/plams/examples/ReactionEnergyBenchmark 2026-04-20T09:48:44,434 copying ./examples/ReactionEnergyBenchmark/ReactionEnergyBenchmark.ipynb -> build/lib/scm/plams/examples/ReactionEnergyBenchmark 2026-04-20T09:48:44,438 copying ./examples/ReactionEnergyBenchmark/ReactionEnergyBenchmark.py -> build/lib/scm/plams/examples/ReactionEnergyBenchmark 2026-04-20T09:48:44,440 creating build/lib/scm/plams/examples/ReactionsDiscovery 2026-04-20T09:48:44,442 copying ./examples/ReactionsDiscovery/reactions_discovery.ipynb -> build/lib/scm/plams/examples/ReactionsDiscovery 2026-04-20T09:48:44,445 copying ./examples/ReactionsDiscovery/reactions_discovery.py -> build/lib/scm/plams/examples/ReactionsDiscovery 2026-04-20T09:48:44,448 creating build/lib/scm/plams/examples/ReorganizationEnergy 2026-04-20T09:48:44,449 copying ./examples/ReorganizationEnergy/ReorganizationEnergy.ipynb -> build/lib/scm/plams/examples/ReorganizationEnergy 2026-04-20T09:48:44,452 copying ./examples/ReorganizationEnergy/ReorganizationEnergy.py -> build/lib/scm/plams/examples/ReorganizationEnergy 2026-04-20T09:48:44,454 creating build/lib/scm/plams/examples/ReuseForceFieldParams 2026-04-20T09:48:44,455 copying ./examples/ReuseForceFieldParams/reuse_forcefield_params.ipynb -> build/lib/scm/plams/examples/ReuseForceFieldParams 2026-04-20T09:48:44,458 copying ./examples/ReuseForceFieldParams/reuse_forcefield_params.py -> build/lib/scm/plams/examples/ReuseForceFieldParams 2026-04-20T09:48:44,460 creating build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:44,461 copying ./examples/SerenityAMS_DataTransfer_examples/C2H4.xyz -> build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:44,463 copying ./examples/SerenityAMS_DataTransfer_examples/C2H4_CCSD.py -> build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:44,465 copying ./examples/SerenityAMS_DataTransfer_examples/HF.xyz -> build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:44,468 copying ./examples/SerenityAMS_DataTransfer_examples/HF_CCSD_T.py -> build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:44,470 copying ./examples/SerenityAMS_DataTransfer_examples/N2.xyz -> build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:44,472 copying ./examples/SerenityAMS_DataTransfer_examples/N2_CCSD.py -> build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:44,474 creating build/lib/scm/plams/examples/SerenityCalculator 2026-04-20T09:48:44,475 copying ./examples/SerenityCalculator/example.py -> build/lib/scm/plams/examples/SerenityCalculator 2026-04-20T09:48:44,477 copying ./examples/SerenityCalculator/my_calculator.py -> build/lib/scm/plams/examples/SerenityCalculator 2026-04-20T09:48:44,479 creating build/lib/scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:44,480 copying ./examples/SerenityInterface_examples/dft_res.py -> build/lib/scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:44,482 copying ./examples/SerenityInterface_examples/fde.py -> build/lib/scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:44,484 copying ./examples/SerenityInterface_examples/gly-gly-gly.xyz -> build/lib/scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:44,486 copying ./examples/SerenityInterface_examples/hf_res.py -> build/lib/scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:44,488 copying ./examples/SerenityInterface_examples/hf_unres.py -> build/lib/scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:44,490 copying ./examples/SerenityInterface_examples/localization.py -> build/lib/scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:44,492 copying ./examples/SerenityInterface_examples/methylRadical.xyz -> build/lib/scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:44,494 copying ./examples/SerenityInterface_examples/mp2.py -> build/lib/scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:44,497 copying ./examples/SerenityInterface_examples/oldhf_res.py -> build/lib/scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:44,499 copying ./examples/SerenityInterface_examples/riboflavin.xyz -> build/lib/scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:44,501 creating build/lib/scm/plams/examples/TuningRangeSeparation 2026-04-20T09:48:44,502 copying ./examples/TuningRangeSeparation/TuningRangeSeparation.ipynb -> build/lib/scm/plams/examples/TuningRangeSeparation 2026-04-20T09:48:44,504 copying ./examples/TuningRangeSeparation/TuningRangeSeparation.py -> build/lib/scm/plams/examples/TuningRangeSeparation 2026-04-20T09:48:44,507 creating build/lib/scm/plams/examples/UseLowestEnergy 2026-04-20T09:48:44,508 copying ./examples/UseLowestEnergy/UseLowestEnergy.ipynb -> build/lib/scm/plams/examples/UseLowestEnergy 2026-04-20T09:48:44,511 copying ./examples/UseLowestEnergy/UseLowestEnergy.py -> build/lib/scm/plams/examples/UseLowestEnergy 2026-04-20T09:48:44,514 creating build/lib/scm/plams/examples/ViscosityGreenKubo 2026-04-20T09:48:44,515 copying ./examples/ViscosityGreenKubo/ViscosityGreenKubo.ipynb -> build/lib/scm/plams/examples/ViscosityGreenKubo 2026-04-20T09:48:44,518 copying ./examples/ViscosityGreenKubo/ViscosityGreenKubo.py -> build/lib/scm/plams/examples/ViscosityGreenKubo 2026-04-20T09:48:44,520 creating build/lib/scm/plams/examples/WaterOptimization 2026-04-20T09:48:44,521 copying ./examples/WaterOptimization/water_optimization.ipynb -> build/lib/scm/plams/examples/WaterOptimization 2026-04-20T09:48:44,524 copying ./examples/WaterOptimization/water_optimization.py -> build/lib/scm/plams/examples/WaterOptimization 2026-04-20T09:48:44,527 creating build/lib/scm/plams/examples/XRD 2026-04-20T09:48:44,528 copying ./examples/XRD/batio3.cif -> build/lib/scm/plams/examples/XRD 2026-04-20T09:48:44,530 copying ./examples/XRD/xrd.ipynb -> build/lib/scm/plams/examples/XRD 2026-04-20T09:48:44,533 copying ./examples/XRD/xrd.py -> build/lib/scm/plams/examples/XRD 2026-04-20T09:48:44,535 creating build/lib/scm/plams/examples/i-PI-AMS 2026-04-20T09:48:44,536 copying ./examples/i-PI-AMS/firstframe.xyz -> build/lib/scm/plams/examples/i-PI-AMS 2026-04-20T09:48:44,539 copying ./examples/i-PI-AMS/input.xml -> build/lib/scm/plams/examples/i-PI-AMS 2026-04-20T09:48:44,541 copying ./examples/i-PI-AMS/run-ase.py -> build/lib/scm/plams/examples/i-PI-AMS 2026-04-20T09:48:44,543 copying ./examples/i-PI-AMS/run-server.sh -> build/lib/scm/plams/examples/i-PI-AMS 2026-04-20T09:48:44,545 creating build/lib/scm/plams/examples/with_new_input_system 2026-04-20T09:48:44,546 copying ./examples/with_new_input_system/BasisSetBenchmark.py -> build/lib/scm/plams/examples/with_new_input_system 2026-04-20T09:48:44,548 copying ./examples/with_new_input_system/ConformersGeneration.py -> build/lib/scm/plams/examples/with_new_input_system 2026-04-20T09:48:44,550 copying ./examples/with_new_input_system/ExcitationsWorkflow.py -> build/lib/scm/plams/examples/with_new_input_system 2026-04-20T09:48:44,552 copying ./examples/with_new_input_system/He2DissociationCurve.py -> build/lib/scm/plams/examples/with_new_input_system 2026-04-20T09:48:44,554 copying ./examples/with_new_input_system/TuningRangeSeparation.py -> build/lib/scm/plams/examples/with_new_input_system 2026-04-20T09:48:44,557 copying ./examples/with_new_input_system/WaterOptimization.py -> build/lib/scm/plams/examples/with_new_input_system 2026-04-20T09:48:44,569 creating build/lib/scm/plams/unit_tests/rkf/water_optimization 2026-04-20T09:48:44,571 copying ./unit_tests/rkf/water_optimization/dftb.rkf -> build/lib/scm/plams/unit_tests/rkf/water_optimization 2026-04-20T09:48:44,576 copying ./unit_tests/rkf/water_optimization/ams.rkf -> build/lib/scm/plams/unit_tests/rkf/water_optimization 2026-04-20T09:48:44,580 creating build/lib/scm/plams/unit_tests/rkf/propanenitrile 2026-04-20T09:48:44,581 copying ./unit_tests/rkf/propanenitrile/ams.rkf -> build/lib/scm/plams/unit_tests/rkf/propanenitrile 2026-04-20T09:48:44,586 copying ./unit_tests/rkf/propanenitrile/forcefield.rkf -> build/lib/scm/plams/unit_tests/rkf/propanenitrile 2026-04-20T09:48:44,590 creating build/lib/scm/plams/unit_tests/rkf/conformers 2026-04-20T09:48:44,591 copying ./unit_tests/rkf/conformers/conformers.rkf -> build/lib/scm/plams/unit_tests/rkf/conformers 2026-04-20T09:48:44,595 creating build/lib/scm/plams/unit_tests/rkf/tools_plot/glycine-engine2 2026-04-20T09:48:44,596 copying ./unit_tests/rkf/tools_plot/glycine-engine2/dftb.rkf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/glycine-engine2 2026-04-20T09:48:44,606 copying ./unit_tests/rkf/tools_plot/glycine-engine2/ams.rkf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/glycine-engine2 2026-04-20T09:48:44,610 creating build/lib/scm/plams/unit_tests/rkf/tools_plot/glycine-engine1 2026-04-20T09:48:44,611 copying ./unit_tests/rkf/tools_plot/glycine-engine1/ams.rkf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/glycine-engine1 2026-04-20T09:48:44,615 copying ./unit_tests/rkf/tools_plot/glycine-engine1/gfnff.rkf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/glycine-engine1 2026-04-20T09:48:44,618 creating build/lib/scm/plams/unit_tests/rkf/tools_plot/md 2026-04-20T09:48:44,619 copying ./unit_tests/rkf/tools_plot/md/ams.rkf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/md 2026-04-20T09:48:44,645 copying ./unit_tests/rkf/tools_plot/md/MDStep200.rkf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/md 2026-04-20T09:48:44,649 creating build/lib/scm/plams/unit_tests/rkf/tools_plot/md/msd 2026-04-20T09:48:44,650 copying ./unit_tests/rkf/tools_plot/md/msd/msd.kf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/md/msd 2026-04-20T09:48:44,654 creating build/lib/scm/plams/unit_tests/rkf/tools_plot/Al_surface 2026-04-20T09:48:44,655 copying ./unit_tests/rkf/tools_plot/Al_surface/ams.rkf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/Al_surface 2026-04-20T09:48:44,659 copying ./unit_tests/rkf/tools_plot/Al_surface/quantumespresso.rkf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/Al_surface 2026-04-20T09:48:44,664 creating build/lib/scm/plams/unit_tests/rkf/tools_plot/NiO 2026-04-20T09:48:44,665 copying ./unit_tests/rkf/tools_plot/NiO/band.rkf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/NiO 2026-04-20T09:48:44,760 copying ./unit_tests/rkf/tools_plot/NiO/ams.rkf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/NiO 2026-04-20T09:48:44,763 creating build/lib/scm/plams/unit_tests/rkf/tools_plot/Diamond 2026-04-20T09:48:44,764 copying ./unit_tests/rkf/tools_plot/Diamond/dftb.rkf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/Diamond 2026-04-20T09:48:44,785 copying ./unit_tests/rkf/tools_plot/Diamond/ams.rkf -> build/lib/scm/plams/unit_tests/rkf/tools_plot/Diamond 2026-04-20T09:48:44,788 creating build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:44,790 copying ./unit_tests/baseline_images/test_tools_plot/plot_msd.png -> build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:44,793 copying ./unit_tests/baseline_images/test_tools_plot/plot_work_function.png -> build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:44,796 copying ./unit_tests/baseline_images/test_tools_plot/plot_correlation.png -> build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:44,799 copying ./unit_tests/baseline_images/test_tools_plot/plot_band_structure.png -> build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:44,803 copying ./unit_tests/baseline_images/test_tools_plot/plot_molecule.png -> build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:44,805 copying ./unit_tests/baseline_images/test_tools_plot/plot_grid_molecules.png -> build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:44,808 copying ./unit_tests/baseline_images/test_tools_plot/plot_phonons_band_structure.png -> build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:44,812 copying ./unit_tests/baseline_images/test_tools_plot/plot_phonons_dos.png -> build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:44,815 creating build/lib/scm/plams/unit_tests/coskf 2026-04-20T09:48:44,816 copying ./unit_tests/coskf/IL_cation_ethylpyridinium.coskf -> build/lib/scm/plams/unit_tests/coskf 2026-04-20T09:48:44,821 copying ./unit_tests/coskf/Water.coskf -> build/lib/scm/plams/unit_tests/coskf 2026-04-20T09:48:44,824 copying ./unit_tests/coskf/IL_anion_acetate.coskf -> build/lib/scm/plams/unit_tests/coskf 2026-04-20T09:48:44,828 copying ./unit_tests/coskf/Benzene.coskf -> build/lib/scm/plams/unit_tests/coskf 2026-04-20T09:48:44,832 creating build/lib/scm/plams/unit_tests/pdb 2026-04-20T09:48:44,833 copying ./unit_tests/pdb/MET.pdb -> build/lib/scm/plams/unit_tests/pdb 2026-04-20T09:48:44,844 copying ./unit_tests/pdb/1DYZ.pdb -> build/lib/scm/plams/unit_tests/pdb 2026-04-20T09:48:44,849 copying ./unit_tests/pdb/2kpq.pdb -> build/lib/scm/plams/unit_tests/pdb 2026-04-20T09:48:44,904 copying ./unit_tests/pdb/1BXU.pdb -> build/lib/scm/plams/unit_tests/pdb 2026-04-20T09:48:44,908 copying ./unit_tests/pdb/chymotrypsin.pdb -> build/lib/scm/plams/unit_tests/pdb 2026-04-20T09:48:44,911 copying ./unit_tests/pdb/pentapeptide.pdb -> build/lib/scm/plams/unit_tests/pdb 2026-04-20T09:48:44,913 creating build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,914 copying ./unit_tests/xyz/hydroxide.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,917 copying ./unit_tests/xyz/water_box.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,919 copying ./unit_tests/xyz/NiO.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,922 copying ./unit_tests/xyz/CO_flat4_3.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,924 copying ./unit_tests/xyz/RS2.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,927 copying ./unit_tests/xyz/reactant2.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,929 copying ./unit_tests/xyz/CO_6_4.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,931 copying ./unit_tests/xyz/CO_6_5.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,934 copying ./unit_tests/xyz/C7H8N2_fragments.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,936 copying ./unit_tests/xyz/chlorophyl2.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,939 copying ./unit_tests/xyz/benzene_dimer.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,941 copying ./unit_tests/xyz/CO_6_3.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,943 copying ./unit_tests/xyz/multiple_mols_in_xyz.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,946 copying ./unit_tests/xyz/RS1.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,948 copying ./unit_tests/xyz/benzene.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,950 copying ./unit_tests/xyz/EZ2.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,952 copying ./unit_tests/xyz/CO_flat4_4.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,954 copying ./unit_tests/xyz/CO_flat4_2.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,956 copying ./unit_tests/xyz/product2.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,958 copying ./unit_tests/xyz/CO_6_2.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,961 copying ./unit_tests/xyz/product1.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,963 copying ./unit_tests/xyz/water.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,965 copying ./unit_tests/xyz/EZ1.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,967 copying ./unit_tests/xyz/reactant1.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,969 copying ./unit_tests/xyz/chlorophyl1.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,972 copying ./unit_tests/xyz/CO_flat4_1.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:44,974 copying ./unit_tests/xyz/CO_6_1.xyz -> build/lib/scm/plams/unit_tests/xyz 2026-04-20T09:48:45,011 running build_scripts 2026-04-20T09:48:45,011 creating build/scripts-3.11 2026-04-20T09:48:45,013 copying and adjusting scripts/plams -> build/scripts-3.11 2026-04-20T09:48:45,014 changing mode of build/scripts-3.11/plams from 644 to 755 2026-04-20T09:48:45,024 installing to build/bdist.linux-armv7l/wheel 2026-04-20T09:48:45,024 running install 2026-04-20T09:48:45,048 running install_lib 2026-04-20T09:48:45,053 creating build/bdist.linux-armv7l/wheel 2026-04-20T09:48:45,056 creating build/bdist.linux-armv7l/wheel/scm 2026-04-20T09:48:45,057 creating build/bdist.linux-armv7l/wheel/scm/plams 2026-04-20T09:48:45,059 creating build/bdist.linux-armv7l/wheel/scm/plams/mol 2026-04-20T09:48:45,061 copying build/lib/scm/plams/mol/pdbtools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2026-04-20T09:48:45,063 copying build/lib/scm/plams/mol/atom.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2026-04-20T09:48:45,066 copying build/lib/scm/plams/mol/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2026-04-20T09:48:45,068 copying build/lib/scm/plams/mol/bond.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2026-04-20T09:48:45,070 copying build/lib/scm/plams/mol/context.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2026-04-20T09:48:45,072 copying build/lib/scm/plams/mol/identify.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2026-04-20T09:48:45,074 copying build/lib/scm/plams/mol/molecule.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2026-04-20T09:48:45,082 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes 2026-04-20T09:48:45,084 copying build/lib/scm/plams/recipes/fcf_dos.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,086 copying build/lib/scm/plams/recipes/numhess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,088 copying build/lib/scm/plams/recipes/numgrad.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,090 copying build/lib/scm/plams/recipes/global_minimum.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,092 copying build/lib/scm/plams/recipes/redox_potential.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,095 copying build/lib/scm/plams/recipes/counterpoise.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,097 copying build/lib/scm/plams/recipes/assign_charged_ions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,100 copying build/lib/scm/plams/recipes/redox.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,102 copying build/lib/scm/plams/recipes/redox_defaults.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,105 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/md 2026-04-20T09:48:45,106 copying build/lib/scm/plams/recipes/md/amsmdjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2026-04-20T09:48:45,109 copying build/lib/scm/plams/recipes/md/scandensity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2026-04-20T09:48:45,110 copying build/lib/scm/plams/recipes/md/nvespawner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2026-04-20T09:48:45,113 copying build/lib/scm/plams/recipes/md/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2026-04-20T09:48:45,114 copying build/lib/scm/plams/recipes/md/greenkuboviscosity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2026-04-20T09:48:45,116 copying build/lib/scm/plams/recipes/md/equilibratedensity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2026-04-20T09:48:45,119 copying build/lib/scm/plams/recipes/md/trajectoryanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2026-04-20T09:48:45,121 copying build/lib/scm/plams/recipes/md/movingrestraints.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2026-04-20T09:48:45,123 copying build/lib/scm/plams/recipes/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,125 copying build/lib/scm/plams/recipes/adffragment.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,127 copying build/lib/scm/plams/recipes/ams_crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,129 copying build/lib/scm/plams/recipes/adfcosmorsconformers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,132 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/ts 2026-04-20T09:48:45,133 copying build/lib/scm/plams/recipes/ts/reaction_boost_workflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/ts 2026-04-20T09:48:45,136 copying build/lib/scm/plams/recipes/ts/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/ts 2026-04-20T09:48:45,137 copying build/lib/scm/plams/recipes/adfcosmorscompound.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,140 copying build/lib/scm/plams/recipes/ox_potential.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,143 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/pestools 2026-04-20T09:48:45,144 copying build/lib/scm/plams/recipes/pestools/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/pestools 2026-04-20T09:48:45,146 copying build/lib/scm/plams/recipes/pestools/optimizer.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/pestools 2026-04-20T09:48:45,148 copying build/lib/scm/plams/recipes/reorganization_energy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,150 copying build/lib/scm/plams/recipes/adfnbo.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2026-04-20T09:48:45,152 creating build/bdist.linux-armv7l/wheel/scm/plams/trajectories 2026-04-20T09:48:45,153 copying build/lib/scm/plams/trajectories/xyzfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2026-04-20T09:48:45,156 copying build/lib/scm/plams/trajectories/xyzhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2026-04-20T09:48:45,158 copying build/lib/scm/plams/trajectories/sdfhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2026-04-20T09:48:45,160 copying build/lib/scm/plams/trajectories/dcdfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2026-04-20T09:48:45,163 copying build/lib/scm/plams/trajectories/trajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2026-04-20T09:48:45,165 copying build/lib/scm/plams/trajectories/rkffile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2026-04-20T09:48:45,168 copying build/lib/scm/plams/trajectories/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2026-04-20T09:48:45,170 copying build/lib/scm/plams/trajectories/sdffile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2026-04-20T09:48:45,172 copying build/lib/scm/plams/trajectories/rkfhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2026-04-20T09:48:45,175 copying build/lib/scm/plams/trajectories/analysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2026-04-20T09:48:45,176 copying build/lib/scm/plams/trajectories/trajectoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2026-04-20T09:48:45,179 copying build/lib/scm/plams/.flake8 -> build/bdist.linux-armv7l/wheel/./scm/plams 2026-04-20T09:48:45,181 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests 2026-04-20T09:48:45,182 copying build/lib/scm/plams/unit_tests/test_molecule_interfaces.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,185 copying build/lib/scm/plams/unit_tests/test_identify.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,187 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/rkf 2026-04-20T09:48:45,189 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/rkf/water_optimization 2026-04-20T09:48:45,190 copying build/lib/scm/plams/unit_tests/rkf/water_optimization/dftb.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/water_optimization 2026-04-20T09:48:45,195 copying build/lib/scm/plams/unit_tests/rkf/water_optimization/ams.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/water_optimization 2026-04-20T09:48:45,199 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/rkf/propanenitrile 2026-04-20T09:48:45,200 copying build/lib/scm/plams/unit_tests/rkf/propanenitrile/ams.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/propanenitrile 2026-04-20T09:48:45,205 copying build/lib/scm/plams/unit_tests/rkf/propanenitrile/forcefield.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/propanenitrile 2026-04-20T09:48:45,208 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/rkf/conformers 2026-04-20T09:48:45,210 copying build/lib/scm/plams/unit_tests/rkf/conformers/conformers.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/conformers 2026-04-20T09:48:45,213 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/rkf/tools_plot 2026-04-20T09:48:45,215 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/rkf/tools_plot/glycine-engine2 2026-04-20T09:48:45,216 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/glycine-engine2/dftb.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/glycine-engine2 2026-04-20T09:48:45,224 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/glycine-engine2/ams.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/glycine-engine2 2026-04-20T09:48:45,228 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/rkf/tools_plot/glycine-engine1 2026-04-20T09:48:45,229 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/glycine-engine1/ams.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/glycine-engine1 2026-04-20T09:48:45,232 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/glycine-engine1/gfnff.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/glycine-engine1 2026-04-20T09:48:45,236 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/rkf/tools_plot/md 2026-04-20T09:48:45,237 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/md/ams.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/md 2026-04-20T09:48:45,256 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/rkf/tools_plot/md/msd 2026-04-20T09:48:45,257 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/md/msd/msd.kf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/md/msd 2026-04-20T09:48:45,262 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/md/MDStep200.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/md 2026-04-20T09:48:45,266 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/rkf/tools_plot/Al_surface 2026-04-20T09:48:45,268 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/Al_surface/ams.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/Al_surface 2026-04-20T09:48:45,272 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/Al_surface/quantumespresso.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/Al_surface 2026-04-20T09:48:45,277 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/rkf/tools_plot/NiO 2026-04-20T09:48:45,279 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/NiO/band.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/NiO 2026-04-20T09:48:45,376 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/NiO/ams.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/NiO 2026-04-20T09:48:45,380 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/rkf/tools_plot/Diamond 2026-04-20T09:48:45,380 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/Diamond/dftb.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/Diamond 2026-04-20T09:48:45,401 copying build/lib/scm/plams/unit_tests/rkf/tools_plot/Diamond/ams.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/rkf/tools_plot/Diamond 2026-04-20T09:48:45,404 copying build/lib/scm/plams/unit_tests/test_threading_utils.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,407 copying build/lib/scm/plams/unit_tests/test_enums.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,408 copying build/lib/scm/plams/unit_tests/test_amsjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,412 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/baseline_images 2026-04-20T09:48:45,414 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:45,415 copying build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot/plot_msd.png -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:45,417 copying build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot/plot_work_function.png -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:45,420 copying build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot/plot_correlation.png -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:45,423 copying build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot/plot_band_structure.png -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:45,426 copying build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot/plot_molecule.png -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:45,429 copying build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot/plot_grid_molecules.png -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:45,431 copying build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot/plot_phonons_band_structure.png -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:45,434 copying build/lib/scm/plams/unit_tests/baseline_images/test_tools_plot/plot_phonons_dos.png -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/baseline_images/test_tools_plot 2026-04-20T09:48:45,436 copying build/lib/scm/plams/unit_tests/test_amsresults.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,439 copying build/lib/scm/plams/unit_tests/test_logging.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,442 copying build/lib/scm/plams/unit_tests/test_basejob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,444 copying build/lib/scm/plams/unit_tests/test_kftools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,446 copying build/lib/scm/plams/unit_tests/test_inputparser.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,449 copying build/lib/scm/plams/unit_tests/test_settings.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,451 copying build/lib/scm/plams/unit_tests/test_helpers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,453 copying build/lib/scm/plams/unit_tests/test_jobrunner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,455 copying build/lib/scm/plams/unit_tests/test_bond.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,457 copying build/lib/scm/plams/unit_tests/test_results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,459 copying build/lib/scm/plams/unit_tests/test_molecule.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,462 copying build/lib/scm/plams/unit_tests/test_interfaces.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,465 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/coskf 2026-04-20T09:48:45,466 copying build/lib/scm/plams/unit_tests/coskf/IL_cation_ethylpyridinium.coskf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/coskf 2026-04-20T09:48:45,470 copying build/lib/scm/plams/unit_tests/coskf/Water.coskf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/coskf 2026-04-20T09:48:45,472 copying build/lib/scm/plams/unit_tests/coskf/IL_anion_acetate.coskf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/coskf 2026-04-20T09:48:45,476 copying build/lib/scm/plams/unit_tests/coskf/Benzene.coskf -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/coskf 2026-04-20T09:48:45,480 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/pdb 2026-04-20T09:48:45,481 copying build/lib/scm/plams/unit_tests/pdb/MET.pdb -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/pdb 2026-04-20T09:48:45,494 copying build/lib/scm/plams/unit_tests/pdb/1DYZ.pdb -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/pdb 2026-04-20T09:48:45,499 copying build/lib/scm/plams/unit_tests/pdb/2kpq.pdb -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/pdb 2026-04-20T09:48:45,535 copying build/lib/scm/plams/unit_tests/pdb/1BXU.pdb -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/pdb 2026-04-20T09:48:45,539 copying build/lib/scm/plams/unit_tests/pdb/chymotrypsin.pdb -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/pdb 2026-04-20T09:48:45,541 copying build/lib/scm/plams/unit_tests/pdb/pentapeptide.pdb -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/pdb 2026-04-20T09:48:45,543 copying build/lib/scm/plams/unit_tests/test_job_analysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,547 copying build/lib/scm/plams/unit_tests/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,549 copying build/lib/scm/plams/unit_tests/test_geometry.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,551 copying build/lib/scm/plams/unit_tests/test_periodic_table.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,553 copying build/lib/scm/plams/unit_tests/test_version.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,555 copying build/lib/scm/plams/unit_tests/test_trajectories.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,557 copying build/lib/scm/plams/unit_tests/test_functions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,559 copying build/lib/scm/plams/unit_tests/test_tools_plot.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,562 copying build/lib/scm/plams/unit_tests/test_tools_table_formatter.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,564 copying build/lib/scm/plams/unit_tests/conftest.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,566 copying build/lib/scm/plams/unit_tests/test_atom.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,568 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/xyz 2026-04-20T09:48:45,569 copying build/lib/scm/plams/unit_tests/xyz/hydroxide.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,571 copying build/lib/scm/plams/unit_tests/xyz/water_box.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,573 copying build/lib/scm/plams/unit_tests/xyz/NiO.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,575 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_3.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,577 copying build/lib/scm/plams/unit_tests/xyz/RS2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,578 copying build/lib/scm/plams/unit_tests/xyz/reactant2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,580 copying build/lib/scm/plams/unit_tests/xyz/CO_6_4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,582 copying build/lib/scm/plams/unit_tests/xyz/CO_6_5.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,584 copying build/lib/scm/plams/unit_tests/xyz/C7H8N2_fragments.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,586 copying build/lib/scm/plams/unit_tests/xyz/chlorophyl2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,589 copying build/lib/scm/plams/unit_tests/xyz/benzene_dimer.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,590 copying build/lib/scm/plams/unit_tests/xyz/CO_6_3.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,592 copying build/lib/scm/plams/unit_tests/xyz/multiple_mols_in_xyz.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,594 copying build/lib/scm/plams/unit_tests/xyz/RS1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,596 copying build/lib/scm/plams/unit_tests/xyz/benzene.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,598 copying build/lib/scm/plams/unit_tests/xyz/EZ2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,599 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,601 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,603 copying build/lib/scm/plams/unit_tests/xyz/product2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,605 copying build/lib/scm/plams/unit_tests/xyz/CO_6_2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,606 copying build/lib/scm/plams/unit_tests/xyz/product1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,608 copying build/lib/scm/plams/unit_tests/xyz/water.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,610 copying build/lib/scm/plams/unit_tests/xyz/EZ1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,612 copying build/lib/scm/plams/unit_tests/xyz/reactant1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,614 copying build/lib/scm/plams/unit_tests/xyz/chlorophyl1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,616 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,618 copying build/lib/scm/plams/unit_tests/xyz/CO_6_1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2026-04-20T09:48:45,620 copying build/lib/scm/plams/unit_tests/test_ASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,621 copying build/lib/scm/plams/unit_tests/test_jobmanager.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2026-04-20T09:48:45,624 creating build/bdist.linux-armv7l/wheel/scm/plams/core 2026-04-20T09:48:45,625 copying build/lib/scm/plams/core/basejob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,628 copying build/lib/scm/plams/core/enums.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,630 copying build/lib/scm/plams/core/results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,633 copying build/lib/scm/plams/core/jobrunner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,635 copying build/lib/scm/plams/core/jobmanager.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,638 copying build/lib/scm/plams/core/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,639 copying build/lib/scm/plams/core/errors.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,641 copying build/lib/scm/plams/core/logging.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,643 copying build/lib/scm/plams/core/threading_utils.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,645 copying build/lib/scm/plams/core/settings.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,648 copying build/lib/scm/plams/core/formatters.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,650 copying build/lib/scm/plams/core/private.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,652 copying build/lib/scm/plams/core/functions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2026-04-20T09:48:45,654 copying build/lib/scm/plams/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2026-04-20T09:48:45,657 copying build/lib/scm/plams/setup.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2026-04-20T09:48:45,660 creating build/bdist.linux-armv7l/wheel/scm/plams/examples 2026-04-20T09:48:45,662 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/AMSPlumedMD 2026-04-20T09:48:45,663 copying build/lib/scm/plams/examples/AMSPlumedMD/ams_plumed.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/AMSPlumedMD 2026-04-20T09:48:45,666 copying build/lib/scm/plams/examples/AMSPlumedMD/ams_plumed.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/AMSPlumedMD 2026-04-20T09:48:45,674 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/Logging 2026-04-20T09:48:45,676 copying build/lib/scm/plams/examples/Logging/logging_example.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/Logging 2026-04-20T09:48:45,679 copying build/lib/scm/plams/examples/Logging/logging_example.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/Logging 2026-04-20T09:48:45,681 copying build/lib/scm/plams/examples/nbconvert_utils.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,682 copying build/lib/scm/plams/examples/MoleculesFromRKFTrajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,684 copying build/lib/scm/plams/examples/numgrad.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,687 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ASECalculator 2026-04-20T09:48:45,688 copying build/lib/scm/plams/examples/ASECalculator/ASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ASECalculator 2026-04-20T09:48:45,690 copying build/lib/scm/plams/examples/ASECalculator/ASECalculator.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ASECalculator 2026-04-20T09:48:45,692 copying build/lib/scm/plams/examples/ASECalculator/ase_calculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ASECalculator 2026-04-20T09:48:45,695 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/JobAnalysis 2026-04-20T09:48:45,696 copying build/lib/scm/plams/examples/JobAnalysis/job_analysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/JobAnalysis 2026-04-20T09:48:45,698 copying build/lib/scm/plams/examples/JobAnalysis/job_analysis.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/JobAnalysis 2026-04-20T09:48:45,702 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ChargedAMSCalculator 2026-04-20T09:48:45,703 copying build/lib/scm/plams/examples/ChargedAMSCalculator/ChargedAMSCalculator.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ChargedAMSCalculator 2026-04-20T09:48:45,707 copying build/lib/scm/plams/examples/ChargedAMSCalculator/ChargedAMSCalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ChargedAMSCalculator 2026-04-20T09:48:45,709 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/BasisSetBenchmark 2026-04-20T09:48:45,710 copying build/lib/scm/plams/examples/BasisSetBenchmark/BasisSetBenchmark.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/BasisSetBenchmark 2026-04-20T09:48:45,713 copying build/lib/scm/plams/examples/BasisSetBenchmark/BasisSetBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/BasisSetBenchmark 2026-04-20T09:48:45,715 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ConstrainedGOAMSWorker 2026-04-20T09:48:45,716 copying build/lib/scm/plams/examples/ConstrainedGOAMSWorker/ConstrainedGOAMSWorker.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ConstrainedGOAMSWorker 2026-04-20T09:48:45,722 copying build/lib/scm/plams/examples/ConstrainedGOAMSWorker/ConstrainedGOAMSWorker.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ConstrainedGOAMSWorker 2026-04-20T09:48:45,724 copying build/lib/scm/plams/examples/ReductionOxidationPotentials.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,726 copying build/lib/scm/plams/examples/QE_AMS_AFM_HubbardU.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,728 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/MoleculeTools 2026-04-20T09:48:45,729 copying build/lib/scm/plams/examples/MoleculeTools/molecule_tools.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/MoleculeTools 2026-04-20T09:48:45,734 copying build/lib/scm/plams/examples/balance_equations.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,736 copying build/lib/scm/plams/examples/get_water_indices.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,738 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/PropertyPrediction 2026-04-20T09:48:45,739 copying build/lib/scm/plams/examples/PropertyPrediction/property_prediction.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/PropertyPrediction 2026-04-20T09:48:45,741 copying build/lib/scm/plams/examples/PropertyPrediction/property_prediction.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/PropertyPrediction 2026-04-20T09:48:45,745 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/PlotCorrelation 2026-04-20T09:48:45,746 copying build/lib/scm/plams/examples/PlotCorrelation/plot_correlation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/PlotCorrelation 2026-04-20T09:48:45,748 copying build/lib/scm/plams/examples/PlotCorrelation/plot_correlation.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/PlotCorrelation 2026-04-20T09:48:45,756 copying build/lib/scm/plams/examples/CustomASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,757 copying build/lib/scm/plams/examples/rkf_to_wrapped_dcd.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,760 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/AMSTSWorkflow 2026-04-20T09:48:45,761 copying build/lib/scm/plams/examples/AMSTSWorkflow/diels_alder_addition.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/AMSTSWorkflow 2026-04-20T09:48:45,765 copying build/lib/scm/plams/examples/AMSTSWorkflow/diels_alder_addition.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/AMSTSWorkflow 2026-04-20T09:48:45,768 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:45,769 copying build/lib/scm/plams/examples/SerenityInterface_examples/gly-gly-gly.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:45,771 copying build/lib/scm/plams/examples/SerenityInterface_examples/oldhf_res.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:45,772 copying build/lib/scm/plams/examples/SerenityInterface_examples/hf_unres.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:45,774 copying build/lib/scm/plams/examples/SerenityInterface_examples/methylRadical.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:45,776 copying build/lib/scm/plams/examples/SerenityInterface_examples/mp2.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:45,778 copying build/lib/scm/plams/examples/SerenityInterface_examples/riboflavin.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:45,779 copying build/lib/scm/plams/examples/SerenityInterface_examples/dft_res.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:45,781 copying build/lib/scm/plams/examples/SerenityInterface_examples/fde.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:45,783 copying build/lib/scm/plams/examples/SerenityInterface_examples/localization.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:45,784 copying build/lib/scm/plams/examples/SerenityInterface_examples/hf_res.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityInterface_examples 2026-04-20T09:48:45,787 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/i-PI-AMS 2026-04-20T09:48:45,788 copying build/lib/scm/plams/examples/i-PI-AMS/firstframe.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/i-PI-AMS 2026-04-20T09:48:45,790 copying build/lib/scm/plams/examples/i-PI-AMS/input.xml -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/i-PI-AMS 2026-04-20T09:48:45,791 copying build/lib/scm/plams/examples/i-PI-AMS/run-server.sh -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/i-PI-AMS 2026-04-20T09:48:45,793 copying build/lib/scm/plams/examples/i-PI-AMS/run-ase.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/i-PI-AMS 2026-04-20T09:48:45,795 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/PackMolExample 2026-04-20T09:48:45,796 copying build/lib/scm/plams/examples/PackMolExample/PackMol.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/PackMolExample 2026-04-20T09:48:45,807 copying build/lib/scm/plams/examples/PackMolExample/PackMol.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/PackMolExample 2026-04-20T09:48:45,810 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/IonicConductivity 2026-04-20T09:48:45,811 copying build/lib/scm/plams/examples/IonicConductivity/get_ionic_conductivity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/IonicConductivity 2026-04-20T09:48:45,813 copying build/lib/scm/plams/examples/IonicConductivity/NaClwater.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/IonicConductivity 2026-04-20T09:48:45,817 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/AMSSettingsSystem 2026-04-20T09:48:45,818 copying build/lib/scm/plams/examples/AMSSettingsSystem/ams_settings_system.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/AMSSettingsSystem 2026-04-20T09:48:45,821 copying build/lib/scm/plams/examples/AMSSettingsSystem/ams_settings_system.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/AMSSettingsSystem 2026-04-20T09:48:45,824 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/MoleculeSubstitution 2026-04-20T09:48:45,825 copying build/lib/scm/plams/examples/MoleculeSubstitution/MoleculeSubstitution.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/MoleculeSubstitution 2026-04-20T09:48:45,827 copying build/lib/scm/plams/examples/MoleculeSubstitution/MoleculeSubstitution.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/MoleculeSubstitution 2026-04-20T09:48:45,833 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ADFNBO 2026-04-20T09:48:45,834 copying build/lib/scm/plams/examples/ADFNBO/ADFNBO.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ADFNBO 2026-04-20T09:48:45,837 copying build/lib/scm/plams/examples/ADFNBO/ADFNBO.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ADFNBO 2026-04-20T09:48:45,839 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ConformersGeneration 2026-04-20T09:48:45,840 copying build/lib/scm/plams/examples/ConformersGeneration/conformers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ConformersGeneration 2026-04-20T09:48:45,842 copying build/lib/scm/plams/examples/ConformersGeneration/conformers.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ConformersGeneration 2026-04-20T09:48:45,853 copying build/lib/scm/plams/examples/ConformersGeneration/ConformersGeneration.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ConformersGeneration 2026-04-20T09:48:45,855 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/PlotReaction2D 2026-04-20T09:48:45,856 copying build/lib/scm/plams/examples/PlotReaction2D/PlotReaction2D.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/PlotReaction2D 2026-04-20T09:48:45,859 copying build/lib/scm/plams/examples/PlotReaction2D/PlotReaction2D.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/PlotReaction2D 2026-04-20T09:48:45,861 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/with_new_input_system 2026-04-20T09:48:45,862 copying build/lib/scm/plams/examples/with_new_input_system/TuningRangeSeparation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/with_new_input_system 2026-04-20T09:48:45,864 copying build/lib/scm/plams/examples/with_new_input_system/WaterOptimization.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/with_new_input_system 2026-04-20T09:48:45,866 copying build/lib/scm/plams/examples/with_new_input_system/He2DissociationCurve.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/with_new_input_system 2026-04-20T09:48:45,868 copying build/lib/scm/plams/examples/with_new_input_system/ExcitationsWorkflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/with_new_input_system 2026-04-20T09:48:45,870 copying build/lib/scm/plams/examples/with_new_input_system/ConformersGeneration.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/with_new_input_system 2026-04-20T09:48:45,872 copying build/lib/scm/plams/examples/with_new_input_system/BasisSetBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/with_new_input_system 2026-04-20T09:48:45,874 copying build/lib/scm/plams/examples/BAND_NiO_HubbardU.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,876 copying build/lib/scm/plams/examples/SellaTransitionStateSearch.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,878 copying build/lib/scm/plams/examples/ConvertToAMSRKFTrajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,879 copying build/lib/scm/plams/examples/ReactionEnergyBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:45,882 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/COSMORSCompound 2026-04-20T09:48:45,883 copying build/lib/scm/plams/examples/COSMORSCompound/compounds_xyz.zip -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/COSMORSCompound 2026-04-20T09:48:45,885 copying build/lib/scm/plams/examples/COSMORSCompound/cosmors_compound.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/COSMORSCompound 2026-04-20T09:48:45,886 copying build/lib/scm/plams/examples/COSMORSCompound/cosmors_compound.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/COSMORSCompound 2026-04-20T09:48:45,889 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/MoleculeFormats 2026-04-20T09:48:45,890 copying build/lib/scm/plams/examples/MoleculeFormats/MoleculeFormats.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/MoleculeFormats 2026-04-20T09:48:45,896 copying build/lib/scm/plams/examples/MoleculeFormats/MoleculeFormats.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/MoleculeFormats 2026-04-20T09:48:45,898 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/BasicMDAnalysis 2026-04-20T09:48:45,899 copying build/lib/scm/plams/examples/BasicMDAnalysis/BasicMDPostanalysis.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/BasicMDAnalysis 2026-04-20T09:48:45,905 copying build/lib/scm/plams/examples/BasicMDAnalysis/ams.rkf -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/BasicMDAnalysis 2026-04-20T09:48:46,064 copying build/lib/scm/plams/examples/BasicMDAnalysis/BasicMDPostanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/BasicMDAnalysis 2026-04-20T09:48:46,066 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ReactionsDiscovery 2026-04-20T09:48:46,067 copying build/lib/scm/plams/examples/ReactionsDiscovery/reactions_discovery.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ReactionsDiscovery 2026-04-20T09:48:46,069 copying build/lib/scm/plams/examples/ReactionsDiscovery/reactions_discovery.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ReactionsDiscovery 2026-04-20T09:48:46,073 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/SerenityCalculator 2026-04-20T09:48:46,074 copying build/lib/scm/plams/examples/SerenityCalculator/my_calculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityCalculator 2026-04-20T09:48:46,076 copying build/lib/scm/plams/examples/SerenityCalculator/example.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityCalculator 2026-04-20T09:48:46,078 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ADFFrag 2026-04-20T09:48:46,079 copying build/lib/scm/plams/examples/ADFFrag/butadiene.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ADFFrag 2026-04-20T09:48:46,081 copying build/lib/scm/plams/examples/ADFFrag/ethene.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ADFFrag 2026-04-20T09:48:46,083 copying build/lib/scm/plams/examples/ADFFrag/adffrag.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ADFFrag 2026-04-20T09:48:46,085 copying build/lib/scm/plams/examples/ADFFrag/adffrag.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ADFFrag 2026-04-20T09:48:46,088 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/WaterOptimization 2026-04-20T09:48:46,089 copying build/lib/scm/plams/examples/WaterOptimization/water_optimization.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/WaterOptimization 2026-04-20T09:48:46,091 copying build/lib/scm/plams/examples/WaterOptimization/water_optimization.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/WaterOptimization 2026-04-20T09:48:46,094 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/IRSpectrumFromMD 2026-04-20T09:48:46,095 copying build/lib/scm/plams/examples/IRSpectrumFromMD/ir_spectrum_from_md.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/IRSpectrumFromMD 2026-04-20T09:48:46,097 copying build/lib/scm/plams/examples/IRSpectrumFromMD/ir_spectrum_from_md.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/IRSpectrumFromMD 2026-04-20T09:48:46,103 copying build/lib/scm/plams/examples/ams_crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:46,105 copying build/lib/scm/plams/examples/MoleculesTable.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:46,108 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/COSMORSConformers 2026-04-20T09:48:46,109 copying build/lib/scm/plams/examples/COSMORSConformers/cosmors_conformers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/COSMORSConformers 2026-04-20T09:48:46,111 copying build/lib/scm/plams/examples/COSMORSConformers/cosmors_conformers.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/COSMORSConformers 2026-04-20T09:48:46,113 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ConformersMultipleMolecules 2026-04-20T09:48:46,114 copying build/lib/scm/plams/examples/ConformersMultipleMolecules/conformers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ConformersMultipleMolecules 2026-04-20T09:48:46,116 copying build/lib/scm/plams/examples/ConformersMultipleMolecules/conformers.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ConformersMultipleMolecules 2026-04-20T09:48:46,121 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ReuseForceFieldParams 2026-04-20T09:48:46,122 copying build/lib/scm/plams/examples/ReuseForceFieldParams/reuse_forcefield_params.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ReuseForceFieldParams 2026-04-20T09:48:46,125 copying build/lib/scm/plams/examples/ReuseForceFieldParams/reuse_forcefield_params.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ReuseForceFieldParams 2026-04-20T09:48:46,127 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ReorganizationEnergy 2026-04-20T09:48:46,128 copying build/lib/scm/plams/examples/ReorganizationEnergy/ReorganizationEnergy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ReorganizationEnergy 2026-04-20T09:48:46,130 copying build/lib/scm/plams/examples/ReorganizationEnergy/ReorganizationEnergy.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ReorganizationEnergy 2026-04-20T09:48:46,133 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ExcitationsWorkflow 2026-04-20T09:48:46,134 copying build/lib/scm/plams/examples/ExcitationsWorkflow/ExcitationsWorkflow.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ExcitationsWorkflow 2026-04-20T09:48:46,136 copying build/lib/scm/plams/examples/ExcitationsWorkflow/ExcitationsWorkflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ExcitationsWorkflow 2026-04-20T09:48:46,139 copying build/lib/scm/plams/examples/ExcitationsWorkflow/molecules.tar -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ExcitationsWorkflow 2026-04-20T09:48:46,141 copying build/lib/scm/plams/examples/get_irspectrum.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:46,143 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/NumHess 2026-04-20T09:48:46,144 copying build/lib/scm/plams/examples/NumHess/NumHess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/NumHess 2026-04-20T09:48:46,146 copying build/lib/scm/plams/examples/NumHess/NumHess.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/NumHess 2026-04-20T09:48:46,149 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/M3GNet 2026-04-20T09:48:46,150 copying build/lib/scm/plams/examples/M3GNet/M3GNet.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/M3GNet 2026-04-20T09:48:46,152 copying build/lib/scm/plams/examples/M3GNet/M3GNet.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/M3GNet 2026-04-20T09:48:46,155 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/He2DissociationCurve 2026-04-20T09:48:46,156 copying build/lib/scm/plams/examples/He2DissociationCurve/He2DissociationCurve.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/He2DissociationCurve 2026-04-20T09:48:46,159 copying build/lib/scm/plams/examples/He2DissociationCurve/He2DissociationCurve.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/He2DissociationCurve 2026-04-20T09:48:46,161 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/BandStructure 2026-04-20T09:48:46,162 copying build/lib/scm/plams/examples/BandStructure/BandStructure.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/BandStructure 2026-04-20T09:48:46,164 copying build/lib/scm/plams/examples/BandStructure/BandStructure.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/BandStructure 2026-04-20T09:48:46,172 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ReactionEnergyBenchmark 2026-04-20T09:48:46,173 copying build/lib/scm/plams/examples/ReactionEnergyBenchmark/ReactionEnergyBenchmark.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ReactionEnergyBenchmark 2026-04-20T09:48:46,176 copying build/lib/scm/plams/examples/ReactionEnergyBenchmark/ReactionEnergyBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ReactionEnergyBenchmark 2026-04-20T09:48:46,178 copying build/lib/scm/plams/examples/README.md -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:46,180 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ADFVibronicDOS 2026-04-20T09:48:46,181 copying build/lib/scm/plams/examples/ADFVibronicDOS/ADFVibronicDOS.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ADFVibronicDOS 2026-04-20T09:48:46,183 copying build/lib/scm/plams/examples/ADFVibronicDOS/ADFVibronicDOS.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ADFVibronicDOS 2026-04-20T09:48:46,186 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/AMSSettingsInput 2026-04-20T09:48:46,187 copying build/lib/scm/plams/examples/AMSSettingsInput/ams_settings_input.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/AMSSettingsInput 2026-04-20T09:48:46,190 copying build/lib/scm/plams/examples/AMSSettingsInput/ams_settings_input.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/AMSSettingsInput 2026-04-20T09:48:46,192 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ManyJobsInParallel 2026-04-20T09:48:46,193 copying build/lib/scm/plams/examples/ManyJobsInParallel/ManyJobsInParallel.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ManyJobsInParallel 2026-04-20T09:48:46,196 copying build/lib/scm/plams/examples/ManyJobsInParallel/molecules.tar -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ManyJobsInParallel 2026-04-20T09:48:46,198 copying build/lib/scm/plams/examples/ManyJobsInParallel/ManyJobsInParallel.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ManyJobsInParallel 2026-04-20T09:48:46,201 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/UseLowestEnergy 2026-04-20T09:48:46,202 copying build/lib/scm/plams/examples/UseLowestEnergy/UseLowestEnergy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/UseLowestEnergy 2026-04-20T09:48:46,204 copying build/lib/scm/plams/examples/UseLowestEnergy/UseLowestEnergy.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/UseLowestEnergy 2026-04-20T09:48:46,207 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/TuningRangeSeparation 2026-04-20T09:48:46,208 copying build/lib/scm/plams/examples/TuningRangeSeparation/TuningRangeSeparation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/TuningRangeSeparation 2026-04-20T09:48:46,211 copying build/lib/scm/plams/examples/TuningRangeSeparation/TuningRangeSeparation.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/TuningRangeSeparation 2026-04-20T09:48:46,214 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ChargeTransferIntegralsADF 2026-04-20T09:48:46,215 copying build/lib/scm/plams/examples/ChargeTransferIntegralsADF/ChargeTransferIntegralsADF.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ChargeTransferIntegralsADF 2026-04-20T09:48:46,217 copying build/lib/scm/plams/examples/ChargeTransferIntegralsADF/ChargeTransferIntegralsADF.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ChargeTransferIntegralsADF 2026-04-20T09:48:46,219 copying build/lib/scm/plams/examples/ChargeTransferIntegralsADF/BenzeneDimer.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ChargeTransferIntegralsADF 2026-04-20T09:48:46,221 copying build/lib/scm/plams/examples/molecules_ReactionEnergyBenchmark.zip -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:46,223 copying build/lib/scm/plams/examples/get_hbonds.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:46,225 copying build/lib/scm/plams/examples/ams_pyCRS.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:46,226 copying build/lib/scm/plams/examples/generate_example.sh -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2026-04-20T09:48:46,229 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/XRD 2026-04-20T09:48:46,230 copying build/lib/scm/plams/examples/XRD/batio3.cif -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/XRD 2026-04-20T09:48:46,232 copying build/lib/scm/plams/examples/XRD/xrd.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/XRD 2026-04-20T09:48:46,234 copying build/lib/scm/plams/examples/XRD/xrd.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/XRD 2026-04-20T09:48:46,238 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/NumGrad 2026-04-20T09:48:46,239 copying build/lib/scm/plams/examples/NumGrad/NumGrad.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/NumGrad 2026-04-20T09:48:46,241 copying build/lib/scm/plams/examples/NumGrad/NumGrad.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/NumGrad 2026-04-20T09:48:46,244 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/ViscosityGreenKubo 2026-04-20T09:48:46,245 copying build/lib/scm/plams/examples/ViscosityGreenKubo/ViscosityGreenKubo.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ViscosityGreenKubo 2026-04-20T09:48:46,247 copying build/lib/scm/plams/examples/ViscosityGreenKubo/ViscosityGreenKubo.ipynb -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/ViscosityGreenKubo 2026-04-20T09:48:46,250 creating build/bdist.linux-armv7l/wheel/scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:46,251 copying build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples/C2H4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:46,253 copying build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples/HF_CCSD_T.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:46,255 copying build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples/HF.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:46,257 copying build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples/C2H4_CCSD.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:46,259 copying build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples/N2_CCSD.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:46,261 copying build/lib/scm/plams/examples/SerenityAMS_DataTransfer_examples/N2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/examples/SerenityAMS_DataTransfer_examples 2026-04-20T09:48:46,263 creating build/bdist.linux-armv7l/wheel/scm/plams/tools 2026-04-20T09:48:46,264 copying build/lib/scm/plams/tools/geometry.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,266 copying build/lib/scm/plams/tools/plams_matrix.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,269 copying build/lib/scm/plams/tools/kftools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,272 copying build/lib/scm/plams/tools/reaction_energies.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,274 copying build/lib/scm/plams/tools/units.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,277 copying build/lib/scm/plams/tools/plot.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,279 copying build/lib/scm/plams/tools/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,281 copying build/lib/scm/plams/tools/job_analysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,284 copying build/lib/scm/plams/tools/periodic_table.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,286 copying build/lib/scm/plams/tools/postprocess_results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,288 copying build/lib/scm/plams/tools/hbc_utilities.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,291 copying build/lib/scm/plams/tools/reaction.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,293 copying build/lib/scm/plams/tools/converters.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,296 copying build/lib/scm/plams/tools/table_formatter.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2026-04-20T09:48:46,298 copying build/lib/scm/plams/version.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2026-04-20T09:48:46,300 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces 2026-04-20T09:48:46,301 copying build/lib/scm/plams/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces 2026-04-20T09:48:46,303 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/thirdparty 2026-04-20T09:48:46,304 copying build/lib/scm/plams/interfaces/thirdparty/vasp.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2026-04-20T09:48:46,306 copying build/lib/scm/plams/interfaces/thirdparty/serenity_calculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2026-04-20T09:48:46,308 copying build/lib/scm/plams/interfaces/thirdparty/raspa.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2026-04-20T09:48:46,311 copying build/lib/scm/plams/interfaces/thirdparty/dirac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2026-04-20T09:48:46,313 copying build/lib/scm/plams/interfaces/thirdparty/serenity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2026-04-20T09:48:46,315 copying build/lib/scm/plams/interfaces/thirdparty/orca.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2026-04-20T09:48:46,317 copying build/lib/scm/plams/interfaces/thirdparty/gamess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2026-04-20T09:48:46,319 copying build/lib/scm/plams/interfaces/thirdparty/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2026-04-20T09:48:46,321 copying build/lib/scm/plams/interfaces/thirdparty/crystal.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2026-04-20T09:48:46,323 copying build/lib/scm/plams/interfaces/thirdparty/dftbplus.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2026-04-20T09:48:46,325 copying build/lib/scm/plams/interfaces/thirdparty/cp2k.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2026-04-20T09:48:46,329 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/molecule 2026-04-20T09:48:46,330 copying build/lib/scm/plams/interfaces/molecule/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2026-04-20T09:48:46,331 copying build/lib/scm/plams/interfaces/molecule/ase.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2026-04-20T09:48:46,333 copying build/lib/scm/plams/interfaces/molecule/rdkit.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2026-04-20T09:48:46,337 copying build/lib/scm/plams/interfaces/molecule/packmol.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2026-04-20T09:48:46,340 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,341 copying build/lib/scm/plams/interfaces/adfsuite/inputparser.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,344 copying build/lib/scm/plams/interfaces/adfsuite/fcf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,346 copying build/lib/scm/plams/interfaces/adfsuite/amsanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,348 copying build/lib/scm/plams/interfaces/adfsuite/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,349 copying build/lib/scm/plams/interfaces/adfsuite/densf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,351 copying build/lib/scm/plams/interfaces/adfsuite/ase_calculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,354 copying build/lib/scm/plams/interfaces/adfsuite/forcefieldparams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,356 copying build/lib/scm/plams/interfaces/adfsuite/quickjobs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,358 copying build/lib/scm/plams/interfaces/adfsuite/scmjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,361 copying build/lib/scm/plams/interfaces/adfsuite/ams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,366 copying build/lib/scm/plams/interfaces/adfsuite/unifac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,368 copying build/lib/scm/plams/interfaces/adfsuite/amsworker.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,372 copying build/lib/scm/plams/interfaces/adfsuite/crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2026-04-20T09:48:46,374 running install_egg_info 2026-04-20T09:48:46,379 Copying plams.egg-info to build/bdist.linux-armv7l/wheel/./plams-2025.107-py3.11.egg-info 2026-04-20T09:48:46,391 running install_scripts 2026-04-20T09:48:46,392 creating build/bdist.linux-armv7l/wheel/plams-2025.107.data/scripts 2026-04-20T09:48:46,394 copying build/scripts-3.11/plams -> build/bdist.linux-armv7l/wheel/plams-2025.107.data/scripts 2026-04-20T09:48:46,396 changing mode of build/bdist.linux-armv7l/wheel/plams-2025.107.data/scripts/plams to 755 2026-04-20T09:48:46,408 creating build/bdist.linux-armv7l/wheel/plams-2025.107.dist-info/WHEEL 2026-04-20T09:48:46,411 creating '/tmp/pip-wheel-pkjym7xp/.tmp-s10z9m7q/plams-2025.107-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-04-20T09:48:46,415 adding 'plams-2025.107.data/scripts/plams' 2026-04-20T09:48:46,419 adding 'plams-2025.107.dist-info/licenses/LICENSE.md' 2026-04-20T09:48:46,422 adding 'scm/plams/.flake8' 2026-04-20T09:48:46,425 adding 'scm/plams/__init__.py' 2026-04-20T09:48:46,426 adding 'scm/plams/setup.py' 2026-04-20T09:48:46,428 adding 'scm/plams/version.py' 2026-04-20T09:48:46,431 adding 'scm/plams/core/__init__.py' 2026-04-20T09:48:46,438 adding 'scm/plams/core/basejob.py' 2026-04-20T09:48:46,440 adding 'scm/plams/core/enums.py' 2026-04-20T09:48:46,442 adding 'scm/plams/core/errors.py' 2026-04-20T09:48:46,444 adding 'scm/plams/core/formatters.py' 2026-04-20T09:48:46,448 adding 'scm/plams/core/functions.py' 2026-04-20T09:48:46,451 adding 'scm/plams/core/jobmanager.py' 2026-04-20T09:48:46,457 adding 'scm/plams/core/jobrunner.py' 2026-04-20T09:48:46,460 adding 'scm/plams/core/logging.py' 2026-04-20T09:48:46,462 adding 'scm/plams/core/private.py' 2026-04-20T09:48:46,467 adding 'scm/plams/core/results.py' 2026-04-20T09:48:46,473 adding 'scm/plams/core/settings.py' 2026-04-20T09:48:46,475 adding 'scm/plams/core/threading_utils.py' 2026-04-20T09:48:46,479 adding 'scm/plams/examples/BAND_NiO_HubbardU.py' 2026-04-20T09:48:46,481 adding 'scm/plams/examples/ConvertToAMSRKFTrajectory.py' 2026-04-20T09:48:46,482 adding 'scm/plams/examples/CustomASECalculator.py' 2026-04-20T09:48:46,484 adding 'scm/plams/examples/MoleculesFromRKFTrajectory.py' 2026-04-20T09:48:46,486 adding 'scm/plams/examples/MoleculesTable.py' 2026-04-20T09:48:46,488 adding 'scm/plams/examples/QE_AMS_AFM_HubbardU.py' 2026-04-20T09:48:46,490 adding 'scm/plams/examples/README.md' 2026-04-20T09:48:46,492 adding 'scm/plams/examples/ReactionEnergyBenchmark.py' 2026-04-20T09:48:46,494 adding 'scm/plams/examples/ReductionOxidationPotentials.py' 2026-04-20T09:48:46,496 adding 'scm/plams/examples/SellaTransitionStateSearch.py' 2026-04-20T09:48:46,498 adding 'scm/plams/examples/ams_crs.py' 2026-04-20T09:48:46,500 adding 'scm/plams/examples/ams_pyCRS.py' 2026-04-20T09:48:46,502 adding 'scm/plams/examples/balance_equations.py' 2026-04-20T09:48:46,504 adding 'scm/plams/examples/generate_example.sh' 2026-04-20T09:48:46,506 adding 'scm/plams/examples/get_hbonds.py' 2026-04-20T09:48:46,507 adding 'scm/plams/examples/get_irspectrum.py' 2026-04-20T09:48:46,509 adding 'scm/plams/examples/get_water_indices.py' 2026-04-20T09:48:46,510 adding 'scm/plams/examples/molecules_ReactionEnergyBenchmark.zip' 2026-04-20T09:48:46,512 adding 'scm/plams/examples/nbconvert_utils.py' 2026-04-20T09:48:46,513 adding 'scm/plams/examples/numgrad.py' 2026-04-20T09:48:46,514 adding 'scm/plams/examples/rkf_to_wrapped_dcd.py' 2026-04-20T09:48:46,517 adding 'scm/plams/examples/ADFFrag/adffrag.ipynb' 2026-04-20T09:48:46,519 adding 'scm/plams/examples/ADFFrag/adffrag.py' 2026-04-20T09:48:46,520 adding 'scm/plams/examples/ADFFrag/butadiene.xyz' 2026-04-20T09:48:46,521 adding 'scm/plams/examples/ADFFrag/ethene.xyz' 2026-04-20T09:48:46,523 adding 'scm/plams/examples/ADFNBO/ADFNBO.ipynb' 2026-04-20T09:48:46,525 adding 'scm/plams/examples/ADFNBO/ADFNBO.py' 2026-04-20T09:48:46,527 adding 'scm/plams/examples/ADFVibronicDOS/ADFVibronicDOS.ipynb' 2026-04-20T09:48:46,528 adding 'scm/plams/examples/ADFVibronicDOS/ADFVibronicDOS.py' 2026-04-20T09:48:46,555 adding 'scm/plams/examples/AMSPlumedMD/ams_plumed.ipynb' 2026-04-20T09:48:46,558 adding 'scm/plams/examples/AMSPlumedMD/ams_plumed.py' 2026-04-20T09:48:46,560 adding 'scm/plams/examples/AMSSettingsInput/ams_settings_input.ipynb' 2026-04-20T09:48:46,562 adding 'scm/plams/examples/AMSSettingsInput/ams_settings_input.py' 2026-04-20T09:48:46,565 adding 'scm/plams/examples/AMSSettingsSystem/ams_settings_system.ipynb' 2026-04-20T09:48:46,566 adding 'scm/plams/examples/AMSSettingsSystem/ams_settings_system.py' 2026-04-20T09:48:46,591 adding 'scm/plams/examples/AMSTSWorkflow/diels_alder_addition.ipynb' 2026-04-20T09:48:46,594 adding 'scm/plams/examples/AMSTSWorkflow/diels_alder_addition.py' 2026-04-20T09:48:46,597 adding 'scm/plams/examples/ASECalculator/ASECalculator.ipynb' 2026-04-20T09:48:46,598 adding 'scm/plams/examples/ASECalculator/ASECalculator.py' 2026-04-20T09:48:46,600 adding 'scm/plams/examples/ASECalculator/ase_calculator.py' 2026-04-20T09:48:46,643 adding 'scm/plams/examples/BandStructure/BandStructure.ipynb' 2026-04-20T09:48:46,646 adding 'scm/plams/examples/BandStructure/BandStructure.py' 2026-04-20T09:48:46,680 adding 'scm/plams/examples/BasicMDAnalysis/BasicMDPostanalysis.ipynb' 2026-04-20T09:48:46,683 adding 'scm/plams/examples/BasicMDAnalysis/BasicMDPostanalysis.py' 2026-04-20T09:48:47,690 adding 'scm/plams/examples/BasicMDAnalysis/ams.rkf' 2026-04-20T09:48:47,755 adding 'scm/plams/examples/BasisSetBenchmark/BasisSetBenchmark.ipynb' 2026-04-20T09:48:47,757 adding 'scm/plams/examples/BasisSetBenchmark/BasisSetBenchmark.py' 2026-04-20T09:48:47,759 adding 'scm/plams/examples/COSMORSCompound/compounds_xyz.zip' 2026-04-20T09:48:47,761 adding 'scm/plams/examples/COSMORSCompound/cosmors_compound.ipynb' 2026-04-20T09:48:47,762 adding 'scm/plams/examples/COSMORSCompound/cosmors_compound.py' 2026-04-20T09:48:47,764 adding 'scm/plams/examples/COSMORSConformers/cosmors_conformers.ipynb' 2026-04-20T09:48:47,765 adding 'scm/plams/examples/COSMORSConformers/cosmors_conformers.py' 2026-04-20T09:48:47,767 adding 'scm/plams/examples/ChargeTransferIntegralsADF/BenzeneDimer.xyz' 2026-04-20T09:48:47,769 adding 'scm/plams/examples/ChargeTransferIntegralsADF/ChargeTransferIntegralsADF.ipynb' 2026-04-20T09:48:47,770 adding 'scm/plams/examples/ChargeTransferIntegralsADF/ChargeTransferIntegralsADF.py' 2026-04-20T09:48:47,781 adding 'scm/plams/examples/ChargedAMSCalculator/ChargedAMSCalculator.ipynb' 2026-04-20T09:48:47,783 adding 'scm/plams/examples/ChargedAMSCalculator/ChargedAMSCalculator.py' 2026-04-20T09:48:47,785 adding 'scm/plams/examples/ConformersGeneration/ConformersGeneration.py' 2026-04-20T09:48:47,866 adding 'scm/plams/examples/ConformersGeneration/conformers.ipynb' 2026-04-20T09:48:47,871 adding 'scm/plams/examples/ConformersGeneration/conformers.py' 2026-04-20T09:48:47,891 adding 'scm/plams/examples/ConformersMultipleMolecules/conformers.ipynb' 2026-04-20T09:48:47,893 adding 'scm/plams/examples/ConformersMultipleMolecules/conformers.py' 2026-04-20T09:48:47,906 adding 'scm/plams/examples/ConstrainedGOAMSWorker/ConstrainedGOAMSWorker.ipynb' 2026-04-20T09:48:47,908 adding 'scm/plams/examples/ConstrainedGOAMSWorker/ConstrainedGOAMSWorker.py' 2026-04-20T09:48:47,911 adding 'scm/plams/examples/ExcitationsWorkflow/ExcitationsWorkflow.ipynb' 2026-04-20T09:48:47,912 adding 'scm/plams/examples/ExcitationsWorkflow/ExcitationsWorkflow.py' 2026-04-20T09:48:47,914 adding 'scm/plams/examples/ExcitationsWorkflow/molecules.tar' 2026-04-20T09:48:47,918 adding 'scm/plams/examples/He2DissociationCurve/He2DissociationCurve.ipynb' 2026-04-20T09:48:47,920 adding 'scm/plams/examples/He2DissociationCurve/He2DissociationCurve.py' 2026-04-20T09:48:47,948 adding 'scm/plams/examples/IRSpectrumFromMD/ir_spectrum_from_md.ipynb' 2026-04-20T09:48:47,951 adding 'scm/plams/examples/IRSpectrumFromMD/ir_spectrum_from_md.py' 2026-04-20T09:48:47,961 adding 'scm/plams/examples/IonicConductivity/NaClwater.py' 2026-04-20T09:48:47,963 adding 'scm/plams/examples/IonicConductivity/get_ionic_conductivity.py' 2026-04-20T09:48:47,968 adding 'scm/plams/examples/JobAnalysis/job_analysis.ipynb' 2026-04-20T09:48:47,970 adding 'scm/plams/examples/JobAnalysis/job_analysis.py' 2026-04-20T09:48:47,972 adding 'scm/plams/examples/Logging/logging_example.ipynb' 2026-04-20T09:48:47,974 adding 'scm/plams/examples/Logging/logging_example.py' 2026-04-20T09:48:47,976 adding 'scm/plams/examples/M3GNet/M3GNet.ipynb' 2026-04-20T09:48:47,977 adding 'scm/plams/examples/M3GNet/M3GNet.py' 2026-04-20T09:48:47,979 adding 'scm/plams/examples/ManyJobsInParallel/ManyJobsInParallel.ipynb' 2026-04-20T09:48:47,980 adding 'scm/plams/examples/ManyJobsInParallel/ManyJobsInParallel.py' 2026-04-20T09:48:47,982 adding 'scm/plams/examples/ManyJobsInParallel/molecules.tar' 2026-04-20T09:48:48,007 adding 'scm/plams/examples/MoleculeFormats/MoleculeFormats.ipynb' 2026-04-20T09:48:48,011 adding 'scm/plams/examples/MoleculeFormats/MoleculeFormats.py' 2026-04-20T09:48:48,040 adding 'scm/plams/examples/MoleculeSubstitution/MoleculeSubstitution.ipynb' 2026-04-20T09:48:48,043 adding 'scm/plams/examples/MoleculeSubstitution/MoleculeSubstitution.py' 2026-04-20T09:48:48,057 adding 'scm/plams/examples/MoleculeTools/molecule_tools.ipynb' 2026-04-20T09:48:48,060 adding 'scm/plams/examples/NumGrad/NumGrad.ipynb' 2026-04-20T09:48:48,061 adding 'scm/plams/examples/NumGrad/NumGrad.py' 2026-04-20T09:48:48,064 adding 'scm/plams/examples/NumHess/NumHess.ipynb' 2026-04-20T09:48:48,065 adding 'scm/plams/examples/NumHess/NumHess.py' 2026-04-20T09:48:48,138 adding 'scm/plams/examples/PackMolExample/PackMol.ipynb' 2026-04-20T09:48:48,143 adding 'scm/plams/examples/PackMolExample/PackMol.py' 2026-04-20T09:48:48,184 adding 'scm/plams/examples/PlotCorrelation/plot_correlation.ipynb' 2026-04-20T09:48:48,187 adding 'scm/plams/examples/PlotCorrelation/plot_correlation.py' 2026-04-20T09:48:48,189 adding 'scm/plams/examples/PlotReaction2D/PlotReaction2D.ipynb' 2026-04-20T09:48:48,191 adding 'scm/plams/examples/PlotReaction2D/PlotReaction2D.py' 2026-04-20T09:48:48,198 adding 'scm/plams/examples/PropertyPrediction/property_prediction.ipynb' 2026-04-20T09:48:48,199 adding 'scm/plams/examples/PropertyPrediction/property_prediction.py' 2026-04-20T09:48:48,203 adding 'scm/plams/examples/ReactionEnergyBenchmark/ReactionEnergyBenchmark.ipynb' 2026-04-20T09:48:48,205 adding 'scm/plams/examples/ReactionEnergyBenchmark/ReactionEnergyBenchmark.py' 2026-04-20T09:48:48,211 adding 'scm/plams/examples/ReactionsDiscovery/reactions_discovery.ipynb' 2026-04-20T09:48:48,213 adding 'scm/plams/examples/ReactionsDiscovery/reactions_discovery.py' 2026-04-20T09:48:48,215 adding 'scm/plams/examples/ReorganizationEnergy/ReorganizationEnergy.ipynb' 2026-04-20T09:48:48,216 adding 'scm/plams/examples/ReorganizationEnergy/ReorganizationEnergy.py' 2026-04-20T09:48:48,218 adding 'scm/plams/examples/ReuseForceFieldParams/reuse_forcefield_params.ipynb' 2026-04-20T09:48:48,220 adding 'scm/plams/examples/ReuseForceFieldParams/reuse_forcefield_params.py' 2026-04-20T09:48:48,221 adding 'scm/plams/examples/SerenityAMS_DataTransfer_examples/C2H4.xyz' 2026-04-20T09:48:48,223 adding 'scm/plams/examples/SerenityAMS_DataTransfer_examples/C2H4_CCSD.py' 2026-04-20T09:48:48,224 adding 'scm/plams/examples/SerenityAMS_DataTransfer_examples/HF.xyz' 2026-04-20T09:48:48,225 adding 'scm/plams/examples/SerenityAMS_DataTransfer_examples/HF_CCSD_T.py' 2026-04-20T09:48:48,226 adding 'scm/plams/examples/SerenityAMS_DataTransfer_examples/N2.xyz' 2026-04-20T09:48:48,227 adding 'scm/plams/examples/SerenityAMS_DataTransfer_examples/N2_CCSD.py' 2026-04-20T09:48:48,229 adding 'scm/plams/examples/SerenityCalculator/example.py' 2026-04-20T09:48:48,230 adding 'scm/plams/examples/SerenityCalculator/my_calculator.py' 2026-04-20T09:48:48,232 adding 'scm/plams/examples/SerenityInterface_examples/dft_res.py' 2026-04-20T09:48:48,233 adding 'scm/plams/examples/SerenityInterface_examples/fde.py' 2026-04-20T09:48:48,235 adding 'scm/plams/examples/SerenityInterface_examples/gly-gly-gly.xyz' 2026-04-20T09:48:48,236 adding 'scm/plams/examples/SerenityInterface_examples/hf_res.py' 2026-04-20T09:48:48,237 adding 'scm/plams/examples/SerenityInterface_examples/hf_unres.py' 2026-04-20T09:48:48,238 adding 'scm/plams/examples/SerenityInterface_examples/localization.py' 2026-04-20T09:48:48,240 adding 'scm/plams/examples/SerenityInterface_examples/methylRadical.xyz' 2026-04-20T09:48:48,241 adding 'scm/plams/examples/SerenityInterface_examples/mp2.py' 2026-04-20T09:48:48,242 adding 'scm/plams/examples/SerenityInterface_examples/oldhf_res.py' 2026-04-20T09:48:48,243 adding 'scm/plams/examples/SerenityInterface_examples/riboflavin.xyz' 2026-04-20T09:48:48,246 adding 'scm/plams/examples/TuningRangeSeparation/TuningRangeSeparation.ipynb' 2026-04-20T09:48:48,247 adding 'scm/plams/examples/TuningRangeSeparation/TuningRangeSeparation.py' 2026-04-20T09:48:48,253 adding 'scm/plams/examples/UseLowestEnergy/UseLowestEnergy.ipynb' 2026-04-20T09:48:48,255 adding 'scm/plams/examples/UseLowestEnergy/UseLowestEnergy.py' 2026-04-20T09:48:48,264 adding 'scm/plams/examples/ViscosityGreenKubo/ViscosityGreenKubo.ipynb' 2026-04-20T09:48:48,265 adding 'scm/plams/examples/ViscosityGreenKubo/ViscosityGreenKubo.py' 2026-04-20T09:48:48,270 adding 'scm/plams/examples/WaterOptimization/water_optimization.ipynb' 2026-04-20T09:48:48,271 adding 'scm/plams/examples/WaterOptimization/water_optimization.py' 2026-04-20T09:48:48,273 adding 'scm/plams/examples/XRD/batio3.cif' 2026-04-20T09:48:48,284 adding 'scm/plams/examples/XRD/xrd.ipynb' 2026-04-20T09:48:48,286 adding 'scm/plams/examples/XRD/xrd.py' 2026-04-20T09:48:48,288 adding 'scm/plams/examples/i-PI-AMS/firstframe.xyz' 2026-04-20T09:48:48,289 adding 'scm/plams/examples/i-PI-AMS/input.xml' 2026-04-20T09:48:48,290 adding 'scm/plams/examples/i-PI-AMS/run-ase.py' 2026-04-20T09:48:48,292 adding 'scm/plams/examples/i-PI-AMS/run-server.sh' 2026-04-20T09:48:48,293 adding 'scm/plams/examples/with_new_input_system/BasisSetBenchmark.py' 2026-04-20T09:48:48,295 adding 'scm/plams/examples/with_new_input_system/ConformersGeneration.py' 2026-04-20T09:48:48,296 adding 'scm/plams/examples/with_new_input_system/ExcitationsWorkflow.py' 2026-04-20T09:48:48,298 adding 'scm/plams/examples/with_new_input_system/He2DissociationCurve.py' 2026-04-20T09:48:48,299 adding 'scm/plams/examples/with_new_input_system/TuningRangeSeparation.py' 2026-04-20T09:48:48,301 adding 'scm/plams/examples/with_new_input_system/WaterOptimization.py' 2026-04-20T09:48:48,303 adding 'scm/plams/interfaces/__init__.py' 2026-04-20T09:48:48,304 adding 'scm/plams/interfaces/adfsuite/__init__.py' 2026-04-20T09:48:48,323 adding 'scm/plams/interfaces/adfsuite/ams.py' 2026-04-20T09:48:48,326 adding 'scm/plams/interfaces/adfsuite/amsanalysis.py' 2026-04-20T09:48:48,334 adding 'scm/plams/interfaces/adfsuite/amsworker.py' 2026-04-20T09:48:48,336 adding 'scm/plams/interfaces/adfsuite/ase_calculator.py' 2026-04-20T09:48:48,339 adding 'scm/plams/interfaces/adfsuite/crs.py' 2026-04-20T09:48:48,341 adding 'scm/plams/interfaces/adfsuite/densf.py' 2026-04-20T09:48:48,342 adding 'scm/plams/interfaces/adfsuite/fcf.py' 2026-04-20T09:48:48,344 adding 'scm/plams/interfaces/adfsuite/forcefieldparams.py' 2026-04-20T09:48:48,346 adding 'scm/plams/interfaces/adfsuite/inputparser.py' 2026-04-20T09:48:48,348 adding 'scm/plams/interfaces/adfsuite/quickjobs.py' 2026-04-20T09:48:48,350 adding 'scm/plams/interfaces/adfsuite/scmjob.py' 2026-04-20T09:48:48,352 adding 'scm/plams/interfaces/adfsuite/unifac.py' 2026-04-20T09:48:48,354 adding 'scm/plams/interfaces/molecule/__init__.py' 2026-04-20T09:48:48,355 adding 'scm/plams/interfaces/molecule/ase.py' 2026-04-20T09:48:48,362 adding 'scm/plams/interfaces/molecule/packmol.py' 2026-04-20T09:48:48,372 adding 'scm/plams/interfaces/molecule/rdkit.py' 2026-04-20T09:48:48,374 adding 'scm/plams/interfaces/thirdparty/__init__.py' 2026-04-20T09:48:48,377 adding 'scm/plams/interfaces/thirdparty/cp2k.py' 2026-04-20T09:48:48,379 adding 'scm/plams/interfaces/thirdparty/crystal.py' 2026-04-20T09:48:48,381 adding 'scm/plams/interfaces/thirdparty/dftbplus.py' 2026-04-20T09:48:48,383 adding 'scm/plams/interfaces/thirdparty/dirac.py' 2026-04-20T09:48:48,385 adding 'scm/plams/interfaces/thirdparty/gamess.py' 2026-04-20T09:48:48,387 adding 'scm/plams/interfaces/thirdparty/orca.py' 2026-04-20T09:48:48,389 adding 'scm/plams/interfaces/thirdparty/raspa.py' 2026-04-20T09:48:48,391 adding 'scm/plams/interfaces/thirdparty/serenity.py' 2026-04-20T09:48:48,393 adding 'scm/plams/interfaces/thirdparty/serenity_calculator.py' 2026-04-20T09:48:48,394 adding 'scm/plams/interfaces/thirdparty/vasp.py' 2026-04-20T09:48:48,396 adding 'scm/plams/mol/__init__.py' 2026-04-20T09:48:48,398 adding 'scm/plams/mol/atom.py' 2026-04-20T09:48:48,400 adding 'scm/plams/mol/bond.py' 2026-04-20T09:48:48,401 adding 'scm/plams/mol/context.py' 2026-04-20T09:48:48,404 adding 'scm/plams/mol/identify.py' 2026-04-20T09:48:48,425 adding 'scm/plams/mol/molecule.py' 2026-04-20T09:48:48,429 adding 'scm/plams/mol/pdbtools.py' 2026-04-20T09:48:48,431 adding 'scm/plams/recipes/__init__.py' 2026-04-20T09:48:48,434 adding 'scm/plams/recipes/adfcosmorscompound.py' 2026-04-20T09:48:48,436 adding 'scm/plams/recipes/adfcosmorsconformers.py' 2026-04-20T09:48:48,437 adding 'scm/plams/recipes/adffragment.py' 2026-04-20T09:48:48,438 adding 'scm/plams/recipes/adfnbo.py' 2026-04-20T09:48:48,440 adding 'scm/plams/recipes/ams_crs.py' 2026-04-20T09:48:48,442 adding 'scm/plams/recipes/assign_charged_ions.py' 2026-04-20T09:48:48,444 adding 'scm/plams/recipes/counterpoise.py' 2026-04-20T09:48:48,445 adding 'scm/plams/recipes/fcf_dos.py' 2026-04-20T09:48:48,447 adding 'scm/plams/recipes/global_minimum.py' 2026-04-20T09:48:48,449 adding 'scm/plams/recipes/numgrad.py' 2026-04-20T09:48:48,450 adding 'scm/plams/recipes/numhess.py' 2026-04-20T09:48:48,453 adding 'scm/plams/recipes/ox_potential.py' 2026-04-20T09:48:48,456 adding 'scm/plams/recipes/redox.py' 2026-04-20T09:48:48,457 adding 'scm/plams/recipes/redox_defaults.py' 2026-04-20T09:48:48,459 adding 'scm/plams/recipes/redox_potential.py' 2026-04-20T09:48:48,461 adding 'scm/plams/recipes/reorganization_energy.py' 2026-04-20T09:48:48,463 adding 'scm/plams/recipes/md/__init__.py' 2026-04-20T09:48:48,465 adding 'scm/plams/recipes/md/amsmdjob.py' 2026-04-20T09:48:48,467 adding 'scm/plams/recipes/md/equilibratedensity.py' 2026-04-20T09:48:48,469 adding 'scm/plams/recipes/md/greenkuboviscosity.py' 2026-04-20T09:48:48,471 adding 'scm/plams/recipes/md/movingrestraints.py' 2026-04-20T09:48:48,472 adding 'scm/plams/recipes/md/nvespawner.py' 2026-04-20T09:48:48,473 adding 'scm/plams/recipes/md/scandensity.py' 2026-04-20T09:48:48,476 adding 'scm/plams/recipes/md/trajectoryanalysis.py' 2026-04-20T09:48:48,478 adding 'scm/plams/recipes/pestools/__init__.py' 2026-04-20T09:48:48,480 adding 'scm/plams/recipes/pestools/optimizer.py' 2026-04-20T09:48:48,482 adding 'scm/plams/recipes/ts/__init__.py' 2026-04-20T09:48:48,484 adding 'scm/plams/recipes/ts/reaction_boost_workflow.py' 2026-04-20T09:48:48,486 adding 'scm/plams/tools/__init__.py' 2026-04-20T09:48:48,489 adding 'scm/plams/tools/converters.py' 2026-04-20T09:48:48,491 adding 'scm/plams/tools/geometry.py' 2026-04-20T09:48:48,493 adding 'scm/plams/tools/hbc_utilities.py' 2026-04-20T09:48:48,499 adding 'scm/plams/tools/job_analysis.py' 2026-04-20T09:48:48,504 adding 'scm/plams/tools/kftools.py' 2026-04-20T09:48:48,506 adding 'scm/plams/tools/periodic_table.py' 2026-04-20T09:48:48,508 adding 'scm/plams/tools/plams_matrix.py' 2026-04-20T09:48:48,510 adding 'scm/plams/tools/plot.py' 2026-04-20T09:48:48,512 adding 'scm/plams/tools/postprocess_results.py' 2026-04-20T09:48:48,515 adding 'scm/plams/tools/reaction.py' 2026-04-20T09:48:48,517 adding 'scm/plams/tools/reaction_energies.py' 2026-04-20T09:48:48,519 adding 'scm/plams/tools/table_formatter.py' 2026-04-20T09:48:48,521 adding 'scm/plams/tools/units.py' 2026-04-20T09:48:48,523 adding 'scm/plams/trajectories/__init__.py' 2026-04-20T09:48:48,524 adding 'scm/plams/trajectories/analysis.py' 2026-04-20T09:48:48,527 adding 'scm/plams/trajectories/dcdfile.py' 2026-04-20T09:48:48,532 adding 'scm/plams/trajectories/rkffile.py' 2026-04-20T09:48:48,536 adding 'scm/plams/trajectories/rkfhistoryfile.py' 2026-04-20T09:48:48,539 adding 'scm/plams/trajectories/sdffile.py' 2026-04-20T09:48:48,541 adding 'scm/plams/trajectories/sdfhistoryfile.py' 2026-04-20T09:48:48,543 adding 'scm/plams/trajectories/trajectory.py' 2026-04-20T09:48:48,545 adding 'scm/plams/trajectories/trajectoryfile.py' 2026-04-20T09:48:48,548 adding 'scm/plams/trajectories/xyzfile.py' 2026-04-20T09:48:48,550 adding 'scm/plams/trajectories/xyzhistoryfile.py' 2026-04-20T09:48:48,552 adding 'scm/plams/unit_tests/__init__.py' 2026-04-20T09:48:48,554 adding 'scm/plams/unit_tests/conftest.py' 2026-04-20T09:48:48,555 adding 'scm/plams/unit_tests/test_ASECalculator.py' 2026-04-20T09:48:48,559 adding 'scm/plams/unit_tests/test_amsjob.py' 2026-04-20T09:48:48,562 adding 'scm/plams/unit_tests/test_amsresults.py' 2026-04-20T09:48:48,564 adding 'scm/plams/unit_tests/test_atom.py' 2026-04-20T09:48:48,566 adding 'scm/plams/unit_tests/test_basejob.py' 2026-04-20T09:48:48,568 adding 'scm/plams/unit_tests/test_bond.py' 2026-04-20T09:48:48,569 adding 'scm/plams/unit_tests/test_enums.py' 2026-04-20T09:48:48,572 adding 'scm/plams/unit_tests/test_functions.py' 2026-04-20T09:48:48,574 adding 'scm/plams/unit_tests/test_geometry.py' 2026-04-20T09:48:48,576 adding 'scm/plams/unit_tests/test_helpers.py' 2026-04-20T09:48:48,577 adding 'scm/plams/unit_tests/test_identify.py' 2026-04-20T09:48:48,579 adding 'scm/plams/unit_tests/test_inputparser.py' 2026-04-20T09:48:48,580 adding 'scm/plams/unit_tests/test_interfaces.py' 2026-04-20T09:48:48,586 adding 'scm/plams/unit_tests/test_job_analysis.py' 2026-04-20T09:48:48,588 adding 'scm/plams/unit_tests/test_jobmanager.py' 2026-04-20T09:48:48,590 adding 'scm/plams/unit_tests/test_jobrunner.py' 2026-04-20T09:48:48,591 adding 'scm/plams/unit_tests/test_kftools.py' 2026-04-20T09:48:48,594 adding 'scm/plams/unit_tests/test_logging.py' 2026-04-20T09:48:48,599 adding 'scm/plams/unit_tests/test_molecule.py' 2026-04-20T09:48:48,602 adding 'scm/plams/unit_tests/test_molecule_interfaces.py' 2026-04-20T09:48:48,603 adding 'scm/plams/unit_tests/test_periodic_table.py' 2026-04-20T09:48:48,605 adding 'scm/plams/unit_tests/test_results.py' 2026-04-20T09:48:48,608 adding 'scm/plams/unit_tests/test_settings.py' 2026-04-20T09:48:48,610 adding 'scm/plams/unit_tests/test_threading_utils.py' 2026-04-20T09:48:48,612 adding 'scm/plams/unit_tests/test_tools_plot.py' 2026-04-20T09:48:48,614 adding 'scm/plams/unit_tests/test_tools_table_formatter.py' 2026-04-20T09:48:48,615 adding 'scm/plams/unit_tests/test_trajectories.py' 2026-04-20T09:48:48,616 adding 'scm/plams/unit_tests/test_version.py' 2026-04-20T09:48:48,627 adding 'scm/plams/unit_tests/baseline_images/test_tools_plot/plot_band_structure.png' 2026-04-20T09:48:48,630 adding 'scm/plams/unit_tests/baseline_images/test_tools_plot/plot_correlation.png' 2026-04-20T09:48:48,632 adding 'scm/plams/unit_tests/baseline_images/test_tools_plot/plot_grid_molecules.png' 2026-04-20T09:48:48,635 adding 'scm/plams/unit_tests/baseline_images/test_tools_plot/plot_molecule.png' 2026-04-20T09:48:48,639 adding 'scm/plams/unit_tests/baseline_images/test_tools_plot/plot_msd.png' 2026-04-20T09:48:48,645 adding 'scm/plams/unit_tests/baseline_images/test_tools_plot/plot_phonons_band_structure.png' 2026-04-20T09:48:48,648 adding 'scm/plams/unit_tests/baseline_images/test_tools_plot/plot_phonons_dos.png' 2026-04-20T09:48:48,654 adding 'scm/plams/unit_tests/baseline_images/test_tools_plot/plot_work_function.png' 2026-04-20T09:48:48,661 adding 'scm/plams/unit_tests/coskf/Benzene.coskf' 2026-04-20T09:48:48,667 adding 'scm/plams/unit_tests/coskf/IL_anion_acetate.coskf' 2026-04-20T09:48:48,676 adding 'scm/plams/unit_tests/coskf/IL_cation_ethylpyridinium.coskf' 2026-04-20T09:48:48,680 adding 'scm/plams/unit_tests/coskf/Water.coskf' 2026-04-20T09:48:48,694 adding 'scm/plams/unit_tests/pdb/1BXU.pdb' 2026-04-20T09:48:48,712 adding 'scm/plams/unit_tests/pdb/1DYZ.pdb' 2026-04-20T09:48:49,102 adding 'scm/plams/unit_tests/pdb/2kpq.pdb' 2026-04-20T09:48:49,200 adding 'scm/plams/unit_tests/pdb/MET.pdb' 2026-04-20T09:48:49,205 adding 'scm/plams/unit_tests/pdb/chymotrypsin.pdb' 2026-04-20T09:48:49,207 adding 'scm/plams/unit_tests/pdb/pentapeptide.pdb' 2026-04-20T09:48:49,212 adding 'scm/plams/unit_tests/rkf/conformers/conformers.rkf' 2026-04-20T09:48:49,220 adding 'scm/plams/unit_tests/rkf/propanenitrile/ams.rkf' 2026-04-20T09:48:49,224 adding 'scm/plams/unit_tests/rkf/propanenitrile/forcefield.rkf' 2026-04-20T09:48:49,228 adding 'scm/plams/unit_tests/rkf/tools_plot/Al_surface/ams.rkf' 2026-04-20T09:48:49,236 adding 'scm/plams/unit_tests/rkf/tools_plot/Al_surface/quantumespresso.rkf' 2026-04-20T09:48:49,240 adding 'scm/plams/unit_tests/rkf/tools_plot/Diamond/ams.rkf' 2026-04-20T09:48:49,334 adding 'scm/plams/unit_tests/rkf/tools_plot/Diamond/dftb.rkf' 2026-04-20T09:48:49,345 adding 'scm/plams/unit_tests/rkf/tools_plot/NiO/ams.rkf' 2026-04-20T09:48:49,981 adding 'scm/plams/unit_tests/rkf/tools_plot/NiO/band.rkf' 2026-04-20T09:48:50,024 adding 'scm/plams/unit_tests/rkf/tools_plot/glycine-engine1/ams.rkf' 2026-04-20T09:48:50,027 adding 'scm/plams/unit_tests/rkf/tools_plot/glycine-engine1/gfnff.rkf' 2026-04-20T09:48:50,031 adding 'scm/plams/unit_tests/rkf/tools_plot/glycine-engine2/ams.rkf' 2026-04-20T09:48:50,050 adding 'scm/plams/unit_tests/rkf/tools_plot/glycine-engine2/dftb.rkf' 2026-04-20T09:48:50,056 adding 'scm/plams/unit_tests/rkf/tools_plot/md/MDStep200.rkf' 2026-04-20T09:48:50,163 adding 'scm/plams/unit_tests/rkf/tools_plot/md/ams.rkf' 2026-04-20T09:48:50,173 adding 'scm/plams/unit_tests/rkf/tools_plot/md/msd/msd.kf' 2026-04-20T09:48:50,177 adding 'scm/plams/unit_tests/rkf/water_optimization/ams.rkf' 2026-04-20T09:48:50,187 adding 'scm/plams/unit_tests/rkf/water_optimization/dftb.rkf' 2026-04-20T09:48:50,191 adding 'scm/plams/unit_tests/xyz/C7H8N2_fragments.xyz' 2026-04-20T09:48:50,192 adding 'scm/plams/unit_tests/xyz/CO_6_1.xyz' 2026-04-20T09:48:50,193 adding 'scm/plams/unit_tests/xyz/CO_6_2.xyz' 2026-04-20T09:48:50,194 adding 'scm/plams/unit_tests/xyz/CO_6_3.xyz' 2026-04-20T09:48:50,196 adding 'scm/plams/unit_tests/xyz/CO_6_4.xyz' 2026-04-20T09:48:50,197 adding 'scm/plams/unit_tests/xyz/CO_6_5.xyz' 2026-04-20T09:48:50,198 adding 'scm/plams/unit_tests/xyz/CO_flat4_1.xyz' 2026-04-20T09:48:50,200 adding 'scm/plams/unit_tests/xyz/CO_flat4_2.xyz' 2026-04-20T09:48:50,201 adding 'scm/plams/unit_tests/xyz/CO_flat4_3.xyz' 2026-04-20T09:48:50,202 adding 'scm/plams/unit_tests/xyz/CO_flat4_4.xyz' 2026-04-20T09:48:50,203 adding 'scm/plams/unit_tests/xyz/EZ1.xyz' 2026-04-20T09:48:50,205 adding 'scm/plams/unit_tests/xyz/EZ2.xyz' 2026-04-20T09:48:50,206 adding 'scm/plams/unit_tests/xyz/NiO.xyz' 2026-04-20T09:48:50,207 adding 'scm/plams/unit_tests/xyz/RS1.xyz' 2026-04-20T09:48:50,208 adding 'scm/plams/unit_tests/xyz/RS2.xyz' 2026-04-20T09:48:50,209 adding 'scm/plams/unit_tests/xyz/benzene.xyz' 2026-04-20T09:48:50,211 adding 'scm/plams/unit_tests/xyz/benzene_dimer.xyz' 2026-04-20T09:48:50,212 adding 'scm/plams/unit_tests/xyz/chlorophyl1.xyz' 2026-04-20T09:48:50,214 adding 'scm/plams/unit_tests/xyz/chlorophyl2.xyz' 2026-04-20T09:48:50,216 adding 'scm/plams/unit_tests/xyz/hydroxide.xyz' 2026-04-20T09:48:50,217 adding 'scm/plams/unit_tests/xyz/multiple_mols_in_xyz.xyz' 2026-04-20T09:48:50,218 adding 'scm/plams/unit_tests/xyz/product1.xyz' 2026-04-20T09:48:50,219 adding 'scm/plams/unit_tests/xyz/product2.xyz' 2026-04-20T09:48:50,221 adding 'scm/plams/unit_tests/xyz/reactant1.xyz' 2026-04-20T09:48:50,222 adding 'scm/plams/unit_tests/xyz/reactant2.xyz' 2026-04-20T09:48:50,223 adding 'scm/plams/unit_tests/xyz/water.xyz' 2026-04-20T09:48:50,224 adding 'scm/plams/unit_tests/xyz/water_box.xyz' 2026-04-20T09:48:50,226 adding 'plams-2025.107.dist-info/METADATA' 2026-04-20T09:48:50,227 adding 'plams-2025.107.dist-info/WHEEL' 2026-04-20T09:48:50,228 adding 'plams-2025.107.dist-info/top_level.txt' 2026-04-20T09:48:50,234 adding 'plams-2025.107.dist-info/RECORD' 2026-04-20T09:48:50,477 removing build/bdist.linux-armv7l/wheel 2026-04-20T09:48:50,690 Building wheel for plams (pyproject.toml): finished with status 'done' 2026-04-20T09:48:51,005 Created wheel for plams: filename=plams-2025.107-py3-none-any.whl size=16116955 sha256=d431eabea57f4a0a086bd1b519ef73df2ea56f8dc63d5d988706781b47416827 2026-04-20T09:48:51,007 Stored in directory: /tmp/pip-ephem-wheel-cache-5d5nt4wm/wheels/07/bd/d5/4aa6b52e999cb5066c4161fd7923037dba6e7f7a6daed78d1c 2026-04-20T09:48:51,037 Successfully built plams 2026-04-20T09:48:51,413 Removed build tracker: '/tmp/pip-build-tracker-uaz_x_pp'