2025-11-16T23:42:40,217 Created temporary directory: /tmp/pip-ephem-wheel-cache-afdxu7_f 2025-11-16T23:42:40,219 Created temporary directory: /tmp/pip-build-tracker-b05d8j2m 2025-11-16T23:42:40,219 Initialized build tracking at /tmp/pip-build-tracker-b05d8j2m 2025-11-16T23:42:40,220 Created build tracker: /tmp/pip-build-tracker-b05d8j2m 2025-11-16T23:42:40,220 Entered build tracker: /tmp/pip-build-tracker-b05d8j2m 2025-11-16T23:42:40,221 Created temporary directory: /tmp/pip-wheel-9562eamh 2025-11-16T23:42:40,224 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 2025-11-16T23:42:40,227 Created temporary directory: /tmp/pip-ephem-wheel-cache-jwzeeld2 2025-11-16T23:42:40,248 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-11-16T23:42:40,252 2 location(s) to search for versions of rdkit-to-params: 2025-11-16T23:42:40,252 * https://pypi.org/simple/rdkit-to-params/ 2025-11-16T23:42:40,252 * https://www.piwheels.org/simple/rdkit-to-params/ 2025-11-16T23:42:40,252 Fetching project page and analyzing links: https://pypi.org/simple/rdkit-to-params/ 2025-11-16T23:42:40,253 Getting page https://pypi.org/simple/rdkit-to-params/ 2025-11-16T23:42:40,254 Found index url https://pypi.org/simple 2025-11-16T23:42:40,469 Fetched page https://pypi.org/simple/rdkit-to-params/ as application/vnd.pypi.simple.v1+json 2025-11-16T23:42:40,477 Found link 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2025-11-16T23:42:40,481 Found link https://files.pythonhosted.org/packages/53/71/fa36800525e407ac79c355f6e97fefdb808964a7df1e43a088d396654c19/rdkit_to_params-1.0.5.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.0.5 2025-11-16T23:42:40,481 Found link https://files.pythonhosted.org/packages/45/0b/867d72723c27a00cc7f330417d6f7268c777b8795bd946fc89786a0f39b0/rdkit_to_params-1.1.0.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.0 2025-11-16T23:42:40,482 Found link https://files.pythonhosted.org/packages/5b/52/a15ce15be2ad2bd3606c4d9cc0055261cd7eafd098cf9a31dee9f931290a/rdkit_to_params-1.1.1.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.1 2025-11-16T23:42:40,483 Found link https://files.pythonhosted.org/packages/1d/2b/97d12fe38813b96f303f04ed4e2e77f5ee540ad683ff79a21c822c047298/rdkit_to_params-1.1.2.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.2 2025-11-16T23:42:40,484 Found link https://files.pythonhosted.org/packages/cf/11/4a451d52b8540a19ae08f28cbec4db146f4d11760133163a94808498f433/rdkit_to_params-1.1.3.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.3 2025-11-16T23:42:40,485 Found link https://files.pythonhosted.org/packages/1f/86/5cdd42d226f7f8dafa43fc9f891a39f8a1689648cfdf0b3653f9fea4c9e9/rdkit_to_params-1.1.4b0.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.4b0 2025-11-16T23:42:40,486 Found link https://files.pythonhosted.org/packages/cd/9d/b405411dd2b049a635c2629fd62cc23a5b881bf85db16557d8bd02a85f8a/rdkit_to_params-1.1.4.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.4 2025-11-16T23:42:40,487 Found link https://files.pythonhosted.org/packages/5a/ca/cc51bc1b2d9311c11316ee089825a4183e89dcecc489c1a48c19910c4acd/rdkit_to_params-1.1.5b0.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.5b0 2025-11-16T23:42:40,488 Found link https://files.pythonhosted.org/packages/6e/7d/0ad2b20f89b42b7fb4799b474cff2000529df5b64fac11581103b293c899/rdkit_to_params-1.1.5.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.5 2025-11-16T23:42:40,489 Found link https://files.pythonhosted.org/packages/e9/09/d2b32bb1f932169c2ab253770709574390604a0b44a5edb434823bfd9288/rdkit_to_params-1.1.6.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.6 2025-11-16T23:42:40,489 Found link https://files.pythonhosted.org/packages/9b/40/43de495b2ef5baff0a174150f26801847d5147e810310d369d82751c8e85/rdkit_to_params-1.1.7.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.7 2025-11-16T23:42:40,490 Found link 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2025-11-16T23:42:40,493 Found link https://files.pythonhosted.org/packages/ad/43/ab5db3875a9e72588efce8885d135e0ec41db98cd84be2337510864a4d66/rdkit_to_params-1.1.12.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.12 2025-11-16T23:42:40,494 Found link https://files.pythonhosted.org/packages/58/b8/f3db63a32ce0ca987585de2c98bab92372068b9601c6fcacc03fb215f8c6/rdkit_to_params-1.1.13.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.13 2025-11-16T23:42:40,495 Found link https://files.pythonhosted.org/packages/4c/58/0d978fda7cd7942bfd1bb72ad9f75a97eb65ef6f0fc9ba3c6b8bad2ad670/rdkit_to_params-1.1.14.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.1.14 2025-11-16T23:42:40,496 Found link https://files.pythonhosted.org/packages/86/e7/803bdc3ac983be61833b2e8c6cabea91f79c6258c0769918b9f728432357/rdkit_to_params-1.2.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.2 2025-11-16T23:42:40,497 Skipping link: No binaries permitted for rdkit-to-params: https://files.pythonhosted.org/packages/1d/73/189fe91ea85de87fdaf2d267cb3ddbfb98b6c481b6ee69d9b6ec3e4dbd7b/rdkit_to_params-1.2.1-py3-none-any.whl (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,498 Found link https://files.pythonhosted.org/packages/33/78/91df09b59f74d3a081add824adb32622959ba120e1d62e0ad4337aaf03f0/rdkit_to_params-1.2.1.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.2.1 2025-11-16T23:42:40,498 Found link https://files.pythonhosted.org/packages/bc/b8/a28924724dc7001b21f3807809973c2ea11a976b3f48f2110e5e514507a3/rdkit_to_params-1.2.2.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.2.2 2025-11-16T23:42:40,499 Found link 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2025-11-16T23:42:40,502 Found link https://files.pythonhosted.org/packages/f4/4b/0a0d727ae9eeea7068f6074c5f67901d2d772a566393decc3223202c3443/rdkit_to_params-1.2.10.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.2.10 2025-11-16T23:42:40,503 Skipping link: No binaries permitted for rdkit-to-params: https://files.pythonhosted.org/packages/c7/6c/5f8bec14b6b6f0e849ca89c59fae561eff1de68ecd8ca69242bcbf5ee0dd/rdkit_to_params-1.2.11-py3-none-any.whl (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,504 Found link https://files.pythonhosted.org/packages/06/44/443c325c7eea3a9c684f09d29145732ac6385f0d62992ac806b72802808c/rdkit_to_params-1.2.11.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.2.11 2025-11-16T23:42:40,504 Skipping link: No binaries permitted for rdkit-to-params: https://files.pythonhosted.org/packages/12/81/c0f20098df96f1887ae4a29f8d92baba5609951f9083c106aa42dff99583/rdkit_to_params-1.2.12-py3-none-any.whl (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,505 Found link https://files.pythonhosted.org/packages/7d/f8/b4196e380d7e8a796f42ecf637e8574874e89bd0634d162f4aa52a834079/rdkit_to_params-1.2.12.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.2.12 2025-11-16T23:42:40,506 Skipping link: No binaries permitted for rdkit-to-params: https://files.pythonhosted.org/packages/70/f8/05759d5fb32f8d447a4ab1c81dae8ca591f1a8a1db420cdd924873c09171/rdkit_to_params-1.2.13-py3-none-any.whl (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,507 Found link https://files.pythonhosted.org/packages/3b/74/e4bd9b2b3eff7a62e1d0e85dbab6997660614ecd89e3eee1967d4743f722/rdkit_to_params-1.2.13.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.2.13 2025-11-16T23:42:40,507 Skipping link: No binaries permitted for rdkit-to-params: https://files.pythonhosted.org/packages/4b/63/f22a3061764e2e05d7f596edeb7bd55e92ed56feb539bc202a7ef5b619cb/rdkit_to_params-1.2.14-py3-none-any.whl (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,508 Found link https://files.pythonhosted.org/packages/73/0e/16a72852dbfd42ce2ac7a34a49713f5627eda97a2308918fbbff7753232c/rdkit_to_params-1.2.14.tar.gz (from https://pypi.org/simple/rdkit-to-params/) (requires-python:>3.6), version: 1.2.14 2025-11-16T23:42:40,509 Fetching project page and analyzing links: https://www.piwheels.org/simple/rdkit-to-params/ 2025-11-16T23:42:40,510 Getting page https://www.piwheels.org/simple/rdkit-to-params/ 2025-11-16T23:42:40,511 Found index url https://www.piwheels.org/simple 2025-11-16T23:42:40,679 Fetched page https://www.piwheels.org/simple/rdkit-to-params/ as text/html 2025-11-16T23:42:40,694 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https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.10-py3-none-any.whl#sha256=309913f50f02dd2dd88767f302c746ed4135786cda27d084240033d7af7e3d62 (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,705 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.9-py3-none-any.whl#sha256=003ace8e736486b384c59c8969d0daacc1b5b51510ce639f8fae6194b988831a (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,705 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.8-py3-none-any.whl#sha256=5594f09bf20208b4a7d486c7c63da48097b4e393066fd280af45c98c07da6fe0 (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,706 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.7-py3-none-any.whl#sha256=5b1d7ea816db4c6a55cf4afc61dcfe4302f7792cd814df425386b006ce4ea144 (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,707 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.6-py3-none-any.whl#sha256=7ee08391ee90a5415dbfb8d9ccc2615536cf8ba84b6d7b2c807e7327c76f12e6 (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,707 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.5-py3-none-any.whl#sha256=26ade56dd22354912f8ad6a7fa7dd17687c77194e8d98c13bba3007d7ad19d98 (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,708 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.5b0-py3-none-any.whl#sha256=838de8cc29fd93d56b5f9b1dde19f77122535aea1d4b3ad588c2ab0bfea79847 (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,709 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.4-py3-none-any.whl#sha256=45d32505d1b840d1821f255c96a156a4230156b842f6b2a0bef29f376af69394 (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,709 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.4b0-py3-none-any.whl#sha256=68fba99b2bf0d110eba43fbc33896c770b3713f0b37736051b8c04e4ae23ad8b (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,710 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.3-py3-none-any.whl#sha256=d657ea6ad426aeed46895b60377cad41bf7be74fa70a31a7d433e3892febbb1f (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,711 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.2-py3-none-any.whl#sha256=9c037bd0f94acfa15a9725a2e3158b661f2d6534c1430fe90cbf6f8768abbf49 (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,712 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.1-py3-none-any.whl#sha256=79c0e322a83b81bf5fd4f153d22621b738ac50075f917a629847c53cb368e09b (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,712 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.1.0-py3-none-any.whl#sha256=dd0a4be42610277790d873ddfb3fce8d6943148e8dc48ed42021d36627c9e0c1 (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,713 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.0.5-py3-none-any.whl#sha256=0419d8696b50551e38f2d64f1d139ba461c4d17be145d970061ea103768669b8 (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,713 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.0.4-py3-none-any.whl#sha256=50c8e0c31d854c285d64e183767427cce959be81177862fa7c46a46e0de9fefd (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,714 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1.0.2-py3-none-any.whl#sha256=e6d7aacfa7777780b46ad4e90da5fd087370a567e137f0ab208db5731e9ce5d5 (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,715 Skipping link: No binaries permitted for rdkit-to-params: https://archive1.piwheels.org/simple/rdkit-to-params/rdkit_to_params-1-py3-none-any.whl#sha256=6657d2d62068cdb2bec06ee2d8edc53ce830fc87c9ff2b6ffe68fbc417550476 (from https://www.piwheels.org/simple/rdkit-to-params/) (requires-python:>3.6) 2025-11-16T23:42:40,715 Skipping link: not a file: https://www.piwheels.org/simple/rdkit-to-params/ 2025-11-16T23:42:40,716 Skipping link: not a file: https://pypi.org/simple/rdkit-to-params/ 2025-11-16T23:42:40,745 Given no hashes to check 1 links for project 'rdkit-to-params': discarding no candidates 2025-11-16T23:42:40,763 Collecting rdkit-to-params==1.2.14 2025-11-16T23:42:40,766 Created temporary directory: /tmp/pip-unpack-fxtt8lba 2025-11-16T23:42:40,899 Downloading rdkit_to_params-1.2.14.tar.gz (53 kB) 2025-11-16T23:42:41,008 Added rdkit-to-params==1.2.14 from https://files.pythonhosted.org/packages/73/0e/16a72852dbfd42ce2ac7a34a49713f5627eda97a2308918fbbff7753232c/rdkit_to_params-1.2.14.tar.gz to build tracker '/tmp/pip-build-tracker-b05d8j2m' 2025-11-16T23:42:41,012 Created temporary directory: /tmp/pip-build-env-yvej95gc 2025-11-16T23:42:41,017 Installing build dependencies: started 2025-11-16T23:42:41,018 Running command pip subprocess to install build dependencies 2025-11-16T23:42:42,153 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2025-11-16T23:42:42,792 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 2025-11-16T23:42:42,815 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-11-16T23:42:44,528 Collecting setuptools>=61 2025-11-16T23:42:44,632 Using cached https://www.piwheels.org/simple/setuptools/setuptools-80.9.0-py3-none-any.whl (1.2 MB) 2025-11-16T23:42:47,543 Installing collected packages: setuptools 2025-11-16T23:42:51,207 Successfully installed setuptools-80.9.0 2025-11-16T23:42:51,473 Installing build dependencies: finished with status 'done' 2025-11-16T23:42:51,480 Getting requirements to build wheel: started 2025-11-16T23:42:51,482 Running command Getting requirements to build wheel 2025-11-16T23:42:52,038 :31: UserWarning: The minimisation part of this code uses pyrosetta, which has to be downloaded from the Rosetta software site due to licencing. Without it only the classes Monster and Rectifier will work 2025-11-16T23:42:52,064 /tmp/pip-build-env-yvej95gc/overlay/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:289: UserWarning: Unknown distribution option: 'test_suite' 2025-11-16T23:42:52,064 warnings.warn(msg) 2025-11-16T23:42:52,118 /tmp/pip-build-env-yvej95gc/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2025-11-16T23:42:52,119 !! 2025-11-16T23:42:52,120 ******************************************************************************** 2025-11-16T23:42:52,120 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). 2025-11-16T23:42:52,121 By 2026-Feb-18, you need to update your project and remove deprecated calls 2025-11-16T23:42:52,122 or your builds will no longer be supported. 2025-11-16T23:42:52,123 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-11-16T23:42:52,124 ******************************************************************************** 2025-11-16T23:42:52,125 !! 2025-11-16T23:42:52,125 corresp(dist, value, root_dir) 2025-11-16T23:42:52,223 /tmp/pip-build-env-yvej95gc/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2025-11-16T23:42:52,224 !! 2025-11-16T23:42:52,226 ******************************************************************************** 2025-11-16T23:42:52,227 Please consider removing the following classifiers in favor of a SPDX license expression: 2025-11-16T23:42:52,228 License :: OSI Approved :: MIT License 2025-11-16T23:42:52,230 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-11-16T23:42:52,231 ******************************************************************************** 2025-11-16T23:42:52,232 !! 2025-11-16T23:42:52,233 dist._finalize_license_expression() 2025-11-16T23:42:52,234 /tmp/pip-build-env-yvej95gc/overlay/local/lib/python3.11/dist-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2025-11-16T23:42:52,235 !! 2025-11-16T23:42:52,236 ******************************************************************************** 2025-11-16T23:42:52,237 Please consider removing the following classifiers in favor of a SPDX license expression: 2025-11-16T23:42:52,238 License :: OSI Approved :: MIT License 2025-11-16T23:42:52,240 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-11-16T23:42:52,240 ******************************************************************************** 2025-11-16T23:42:52,242 !! 2025-11-16T23:42:52,243 self._finalize_license_expression() 2025-11-16T23:42:52,244 running egg_info 2025-11-16T23:42:52,253 writing rdkit_to_params.egg-info/PKG-INFO 2025-11-16T23:42:52,259 writing dependency_links to rdkit_to_params.egg-info/dependency_links.txt 2025-11-16T23:42:52,261 writing entry points to rdkit_to_params.egg-info/entry_points.txt 2025-11-16T23:42:52,263 writing requirements to rdkit_to_params.egg-info/requires.txt 2025-11-16T23:42:52,265 writing top-level names to rdkit_to_params.egg-info/top_level.txt 2025-11-16T23:42:52,290 reading manifest file 'rdkit_to_params.egg-info/SOURCES.txt' 2025-11-16T23:42:52,294 adding license file 'LICENSE' 2025-11-16T23:42:52,297 writing manifest file 'rdkit_to_params.egg-info/SOURCES.txt' 2025-11-16T23:42:52,394 Getting requirements to build wheel: finished with status 'done' 2025-11-16T23:42:52,398 Created temporary directory: /tmp/pip-modern-metadata-b7imalyk 2025-11-16T23:42:52,401 Preparing metadata (pyproject.toml): started 2025-11-16T23:42:52,402 Running command Preparing metadata (pyproject.toml) 2025-11-16T23:42:52,905 :31: UserWarning: The minimisation part of this code uses pyrosetta, which has to be downloaded from the Rosetta software site due to licencing. Without it only the classes Monster and Rectifier will work 2025-11-16T23:42:52,916 /tmp/pip-build-env-yvej95gc/overlay/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:289: UserWarning: Unknown distribution option: 'test_suite' 2025-11-16T23:42:52,917 warnings.warn(msg) 2025-11-16T23:42:52,965 /tmp/pip-build-env-yvej95gc/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2025-11-16T23:42:52,966 !! 2025-11-16T23:42:52,967 ******************************************************************************** 2025-11-16T23:42:52,967 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). 2025-11-16T23:42:52,968 By 2026-Feb-18, you need to update your project and remove deprecated calls 2025-11-16T23:42:52,969 or your builds will no longer be supported. 2025-11-16T23:42:52,970 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-11-16T23:42:52,971 ******************************************************************************** 2025-11-16T23:42:52,972 !! 2025-11-16T23:42:52,973 corresp(dist, value, root_dir) 2025-11-16T23:42:53,046 /tmp/pip-build-env-yvej95gc/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2025-11-16T23:42:53,047 !! 2025-11-16T23:42:53,048 ******************************************************************************** 2025-11-16T23:42:53,049 Please consider removing the following classifiers in favor of a SPDX license expression: 2025-11-16T23:42:53,050 License :: OSI Approved :: MIT License 2025-11-16T23:42:53,051 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-11-16T23:42:53,052 ******************************************************************************** 2025-11-16T23:42:53,053 !! 2025-11-16T23:42:53,053 dist._finalize_license_expression() 2025-11-16T23:42:53,054 /tmp/pip-build-env-yvej95gc/overlay/local/lib/python3.11/dist-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2025-11-16T23:42:53,054 !! 2025-11-16T23:42:53,056 ******************************************************************************** 2025-11-16T23:42:53,056 Please consider removing the following classifiers in favor of a SPDX license expression: 2025-11-16T23:42:53,057 License :: OSI Approved :: MIT License 2025-11-16T23:42:53,059 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-11-16T23:42:53,059 ******************************************************************************** 2025-11-16T23:42:53,061 !! 2025-11-16T23:42:53,061 self._finalize_license_expression() 2025-11-16T23:42:53,062 running dist_info 2025-11-16T23:42:53,071 creating /tmp/pip-modern-metadata-b7imalyk/rdkit_to_params.egg-info 2025-11-16T23:42:53,072 writing /tmp/pip-modern-metadata-b7imalyk/rdkit_to_params.egg-info/PKG-INFO 2025-11-16T23:42:53,076 writing dependency_links to /tmp/pip-modern-metadata-b7imalyk/rdkit_to_params.egg-info/dependency_links.txt 2025-11-16T23:42:53,078 writing entry points to /tmp/pip-modern-metadata-b7imalyk/rdkit_to_params.egg-info/entry_points.txt 2025-11-16T23:42:53,079 writing requirements to /tmp/pip-modern-metadata-b7imalyk/rdkit_to_params.egg-info/requires.txt 2025-11-16T23:42:53,080 writing top-level names to /tmp/pip-modern-metadata-b7imalyk/rdkit_to_params.egg-info/top_level.txt 2025-11-16T23:42:53,082 writing manifest file '/tmp/pip-modern-metadata-b7imalyk/rdkit_to_params.egg-info/SOURCES.txt' 2025-11-16T23:42:53,103 reading manifest file '/tmp/pip-modern-metadata-b7imalyk/rdkit_to_params.egg-info/SOURCES.txt' 2025-11-16T23:42:53,105 adding license file 'LICENSE' 2025-11-16T23:42:53,108 writing manifest file '/tmp/pip-modern-metadata-b7imalyk/rdkit_to_params.egg-info/SOURCES.txt' 2025-11-16T23:42:53,109 creating '/tmp/pip-modern-metadata-b7imalyk/rdkit_to_params-1.2.14.dist-info' 2025-11-16T23:42:53,242 Preparing metadata (pyproject.toml): finished with status 'done' 2025-11-16T23:42:53,249 Source in /tmp/pip-wheel-9562eamh/rdkit-to-params_8261f9499f50416eb682b330c1b22606 has version 1.2.14, which satisfies requirement rdkit-to-params==1.2.14 from https://files.pythonhosted.org/packages/73/0e/16a72852dbfd42ce2ac7a34a49713f5627eda97a2308918fbbff7753232c/rdkit_to_params-1.2.14.tar.gz 2025-11-16T23:42:53,250 Removed rdkit-to-params==1.2.14 from https://files.pythonhosted.org/packages/73/0e/16a72852dbfd42ce2ac7a34a49713f5627eda97a2308918fbbff7753232c/rdkit_to_params-1.2.14.tar.gz from build tracker '/tmp/pip-build-tracker-b05d8j2m' 2025-11-16T23:42:53,257 Created temporary directory: /tmp/pip-unpack-3cpemyyz 2025-11-16T23:42:53,258 Building wheels for collected packages: rdkit-to-params 2025-11-16T23:42:53,263 Created temporary directory: /tmp/pip-wheel-48cwcetf 2025-11-16T23:42:53,264 Destination directory: /tmp/pip-wheel-48cwcetf 2025-11-16T23:42:53,267 Building wheel for rdkit-to-params (pyproject.toml): started 2025-11-16T23:42:53,268 Running command Building wheel for rdkit-to-params (pyproject.toml) 2025-11-16T23:42:53,756 :31: UserWarning: The minimisation part of this code uses pyrosetta, which has to be downloaded from the Rosetta software site due to licencing. Without it only the classes Monster and Rectifier will work 2025-11-16T23:42:53,767 /tmp/pip-build-env-yvej95gc/overlay/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:289: UserWarning: Unknown distribution option: 'test_suite' 2025-11-16T23:42:53,767 warnings.warn(msg) 2025-11-16T23:42:53,816 /tmp/pip-build-env-yvej95gc/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2025-11-16T23:42:53,816 !! 2025-11-16T23:42:53,817 ******************************************************************************** 2025-11-16T23:42:53,818 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). 2025-11-16T23:42:53,819 By 2026-Feb-18, you need to update your project and remove deprecated calls 2025-11-16T23:42:53,820 or your builds will no longer be supported. 2025-11-16T23:42:53,821 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-11-16T23:42:53,822 ******************************************************************************** 2025-11-16T23:42:53,823 !! 2025-11-16T23:42:53,824 corresp(dist, value, root_dir) 2025-11-16T23:42:53,891 /tmp/pip-build-env-yvej95gc/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2025-11-16T23:42:53,892 !! 2025-11-16T23:42:53,893 ******************************************************************************** 2025-11-16T23:42:53,893 Please consider removing the following classifiers in favor of a SPDX license expression: 2025-11-16T23:42:53,894 License :: OSI Approved :: MIT License 2025-11-16T23:42:53,895 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-11-16T23:42:53,896 ******************************************************************************** 2025-11-16T23:42:53,897 !! 2025-11-16T23:42:53,897 dist._finalize_license_expression() 2025-11-16T23:42:53,898 /tmp/pip-build-env-yvej95gc/overlay/local/lib/python3.11/dist-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2025-11-16T23:42:53,898 !! 2025-11-16T23:42:53,899 ******************************************************************************** 2025-11-16T23:42:53,900 Please consider removing the following classifiers in favor of a SPDX license expression: 2025-11-16T23:42:53,901 License :: OSI Approved :: MIT License 2025-11-16T23:42:53,902 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-11-16T23:42:53,902 ******************************************************************************** 2025-11-16T23:42:53,903 !! 2025-11-16T23:42:53,904 self._finalize_license_expression() 2025-11-16T23:42:53,904 running bdist_wheel 2025-11-16T23:42:53,921 running build 2025-11-16T23:42:53,921 running build_py 2025-11-16T23:42:53,928 creating build/lib/rdkit_to_params 2025-11-16T23:42:53,930 copying rdkit_to_params/_init_mixin.py -> build/lib/rdkit_to_params 2025-11-16T23:42:53,933 copying rdkit_to_params/_io_mixin.py -> build/lib/rdkit_to_params 2025-11-16T23:42:53,935 copying rdkit_to_params/_pyrosetta_mixin.py -> build/lib/rdkit_to_params 2025-11-16T23:42:53,937 copying rdkit_to_params/constraint.py -> build/lib/rdkit_to_params 2025-11-16T23:42:53,940 copying rdkit_to_params/entries.py -> build/lib/rdkit_to_params 2025-11-16T23:42:53,943 copying rdkit_to_params/__init__.py -> build/lib/rdkit_to_params 2025-11-16T23:42:53,945 copying rdkit_to_params/version.py -> build/lib/rdkit_to_params 2025-11-16T23:42:53,948 creating build/lib/rdkit_to_params/cli 2025-11-16T23:42:53,949 copying rdkit_to_params/cli/__init__.py -> build/lib/rdkit_to_params/cli 2025-11-16T23:42:53,951 creating build/lib/rdkit_to_params/rdkitside 2025-11-16T23:42:53,952 copying rdkit_to_params/rdkitside/_rdkit_rename.py -> build/lib/rdkit_to_params/rdkitside 2025-11-16T23:42:53,955 copying rdkit_to_params/rdkitside/_rdkit_prep.py -> build/lib/rdkit_to_params/rdkitside 2025-11-16T23:42:53,958 copying rdkit_to_params/rdkitside/utilities.py -> build/lib/rdkit_to_params/rdkitside 2025-11-16T23:42:53,960 copying rdkit_to_params/rdkitside/__init__.py -> build/lib/rdkit_to_params/rdkitside 2025-11-16T23:42:53,962 copying rdkit_to_params/rdkitside/_rdkit_convert.py -> build/lib/rdkit_to_params/rdkitside 2025-11-16T23:42:53,965 copying rdkit_to_params/rdkitside/_rdkit_inits.py -> build/lib/rdkit_to_params/rdkitside 2025-11-16T23:42:53,967 running egg_info 2025-11-16T23:42:53,978 writing rdkit_to_params.egg-info/PKG-INFO 2025-11-16T23:42:53,982 writing dependency_links to rdkit_to_params.egg-info/dependency_links.txt 2025-11-16T23:42:53,983 writing entry points to rdkit_to_params.egg-info/entry_points.txt 2025-11-16T23:42:53,984 writing requirements to rdkit_to_params.egg-info/requires.txt 2025-11-16T23:42:53,985 writing top-level names to rdkit_to_params.egg-info/top_level.txt 2025-11-16T23:42:53,997 reading manifest file 'rdkit_to_params.egg-info/SOURCES.txt' 2025-11-16T23:42:54,000 adding license file 'LICENSE' 2025-11-16T23:42:54,003 writing manifest file 'rdkit_to_params.egg-info/SOURCES.txt' 2025-11-16T23:42:54,017 installing to build/bdist.linux-armv7l/wheel 2025-11-16T23:42:54,018 running install 2025-11-16T23:42:54,041 running install_lib 2025-11-16T23:42:54,047 creating build/bdist.linux-armv7l/wheel 2025-11-16T23:42:54,050 creating build/bdist.linux-armv7l/wheel/rdkit_to_params 2025-11-16T23:42:54,051 copying build/lib/rdkit_to_params/_init_mixin.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params 2025-11-16T23:42:54,053 copying build/lib/rdkit_to_params/_io_mixin.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params 2025-11-16T23:42:54,055 copying build/lib/rdkit_to_params/_pyrosetta_mixin.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params 2025-11-16T23:42:54,057 copying build/lib/rdkit_to_params/constraint.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params 2025-11-16T23:42:54,060 creating build/bdist.linux-armv7l/wheel/rdkit_to_params/cli 2025-11-16T23:42:54,061 copying build/lib/rdkit_to_params/cli/__init__.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params/cli 2025-11-16T23:42:54,063 copying build/lib/rdkit_to_params/entries.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params 2025-11-16T23:42:54,067 creating build/bdist.linux-armv7l/wheel/rdkit_to_params/rdkitside 2025-11-16T23:42:54,068 copying build/lib/rdkit_to_params/rdkitside/_rdkit_rename.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params/rdkitside 2025-11-16T23:42:54,070 copying build/lib/rdkit_to_params/rdkitside/_rdkit_prep.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params/rdkitside 2025-11-16T23:42:54,073 copying build/lib/rdkit_to_params/rdkitside/utilities.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params/rdkitside 2025-11-16T23:42:54,075 copying build/lib/rdkit_to_params/rdkitside/__init__.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params/rdkitside 2025-11-16T23:42:54,077 copying build/lib/rdkit_to_params/rdkitside/_rdkit_convert.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params/rdkitside 2025-11-16T23:42:54,080 copying build/lib/rdkit_to_params/rdkitside/_rdkit_inits.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params/rdkitside 2025-11-16T23:42:54,083 copying build/lib/rdkit_to_params/__init__.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params 2025-11-16T23:42:54,085 copying build/lib/rdkit_to_params/version.py -> build/bdist.linux-armv7l/wheel/./rdkit_to_params 2025-11-16T23:42:54,087 running install_egg_info 2025-11-16T23:42:54,093 Copying rdkit_to_params.egg-info to build/bdist.linux-armv7l/wheel/./rdkit_to_params-1.2.14-py3.11.egg-info 2025-11-16T23:42:54,105 running install_scripts 2025-11-16T23:42:54,118 creating build/bdist.linux-armv7l/wheel/rdkit_to_params-1.2.14.dist-info/WHEEL 2025-11-16T23:42:54,121 creating '/tmp/pip-wheel-48cwcetf/.tmp-0aipl3v_/rdkit_to_params-1.2.14-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-11-16T23:42:54,125 adding 'rdkit_to_params/__init__.py' 2025-11-16T23:42:54,126 adding 'rdkit_to_params/_init_mixin.py' 2025-11-16T23:42:54,128 adding 'rdkit_to_params/_io_mixin.py' 2025-11-16T23:42:54,129 adding 'rdkit_to_params/_pyrosetta_mixin.py' 2025-11-16T23:42:54,132 adding 'rdkit_to_params/constraint.py' 2025-11-16T23:42:54,135 adding 'rdkit_to_params/entries.py' 2025-11-16T23:42:54,136 adding 'rdkit_to_params/version.py' 2025-11-16T23:42:54,138 adding 'rdkit_to_params/cli/__init__.py' 2025-11-16T23:42:54,140 adding 'rdkit_to_params/rdkitside/__init__.py' 2025-11-16T23:42:54,143 adding 'rdkit_to_params/rdkitside/_rdkit_convert.py' 2025-11-16T23:42:54,145 adding 'rdkit_to_params/rdkitside/_rdkit_inits.py' 2025-11-16T23:42:54,148 adding 'rdkit_to_params/rdkitside/_rdkit_prep.py' 2025-11-16T23:42:54,150 adding 'rdkit_to_params/rdkitside/_rdkit_rename.py' 2025-11-16T23:42:54,152 adding 'rdkit_to_params/rdkitside/utilities.py' 2025-11-16T23:42:54,155 adding 'rdkit_to_params-1.2.14.dist-info/licenses/LICENSE' 2025-11-16T23:42:54,158 adding 'rdkit_to_params-1.2.14.dist-info/METADATA' 2025-11-16T23:42:54,159 adding 'rdkit_to_params-1.2.14.dist-info/WHEEL' 2025-11-16T23:42:54,160 adding 'rdkit_to_params-1.2.14.dist-info/entry_points.txt' 2025-11-16T23:42:54,161 adding 'rdkit_to_params-1.2.14.dist-info/top_level.txt' 2025-11-16T23:42:54,162 adding 'rdkit_to_params-1.2.14.dist-info/RECORD' 2025-11-16T23:42:54,164 removing build/bdist.linux-armv7l/wheel 2025-11-16T23:42:54,270 Building wheel for rdkit-to-params (pyproject.toml): finished with status 'done' 2025-11-16T23:42:54,276 Created wheel for rdkit-to-params: filename=rdkit_to_params-1.2.14-py3-none-any.whl size=51271 sha256=a26dcbca441f9570bcb60d8062a0440f2b09f471a342f8f47ef604cd36473816 2025-11-16T23:42:54,277 Stored in directory: /tmp/pip-ephem-wheel-cache-jwzeeld2/wheels/bc/bb/f8/f2d4cab0f7f392701413567d6f392afc05d642cb1c619f0aec 2025-11-16T23:42:54,291 Successfully built rdkit-to-params 2025-11-16T23:42:54,296 Removed build tracker: '/tmp/pip-build-tracker-b05d8j2m'