2026-07-09T11:12:58,623 Created temporary directory: /tmp/pip-ephem-wheel-cache-ner_3wv6 2026-07-09T11:12:58,625 Created temporary directory: /tmp/pip-build-tracker-tece6f0p 2026-07-09T11:12:58,626 Initialized build tracking at /tmp/pip-build-tracker-tece6f0p 2026-07-09T11:12:58,626 Created build tracker: /tmp/pip-build-tracker-tece6f0p 2026-07-09T11:12:58,627 Entered build tracker: /tmp/pip-build-tracker-tece6f0p 2026-07-09T11:12:58,628 Created temporary directory: /tmp/pip-wheel-2jgobf4d 2026-07-09T11:12:58,630 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 2026-07-09T11:12:58,633 Created temporary directory: /tmp/pip-ephem-wheel-cache-ri0slqlc 2026-07-09T11:12:58,655 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-07-09T11:12:58,658 2 location(s) to search for versions of chemprop: 2026-07-09T11:12:58,658 * https://pypi.org/simple/chemprop/ 2026-07-09T11:12:58,658 * https://www.piwheels.org/simple/chemprop/ 2026-07-09T11:12:58,659 Fetching project page and analyzing links: https://pypi.org/simple/chemprop/ 2026-07-09T11:12:58,660 Getting page https://pypi.org/simple/chemprop/ 2026-07-09T11:12:58,661 Found index url https://pypi.org/simple 2026-07-09T11:12:58,816 Fetched page https://pypi.org/simple/chemprop/ as application/vnd.pypi.simple.v1+json 2026-07-09T11:12:58,826 Found link https://files.pythonhosted.org/packages/44/99/6be12b242e7b1919e30423d94fea03646e931c84e00ef2f3e1d6270578be/chemprop-1.0.0.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.6), version: 1.0.0 2026-07-09T11:12:58,827 Found link https://files.pythonhosted.org/packages/38/2a/f6fc398584b7d35b4e677815f28bc74725cce342a9d428bcd6525f59f315/chemprop-1.0.1.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.6), version: 1.0.1 2026-07-09T11:12:58,828 Found link https://files.pythonhosted.org/packages/2a/f1/05aa68fe3475d049a4d1181f0cc577eac6aaba1d29e46468d65f981dec9f/chemprop-1.0.2.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.6), version: 1.0.2 2026-07-09T11:12:58,829 Found link https://files.pythonhosted.org/packages/ca/88/5f401ed3111342f56b0f9c3068ac2a7d545e5cf353417505175c2ddddda8/chemprop-1.1.0.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.6), version: 1.1.0 2026-07-09T11:12:58,831 Found link https://files.pythonhosted.org/packages/b6/0a/507f86c0bf9fa326e7e8bdb776494b7fee8abf3c71f0a9a48fddaf8c8997/chemprop-1.2.0.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.6), version: 1.2.0 2026-07-09T11:12:58,832 Found link https://files.pythonhosted.org/packages/a3/1b/1809bb911a5aeb2fb54a8d0a102a85ee308820a73e0b7b349f604742c167/chemprop-1.3.0.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.6), version: 1.3.0 2026-07-09T11:12:58,833 Found link https://files.pythonhosted.org/packages/1c/9a/0c6a285514599fb11947818a47f666d0b685c4e3f7ea98826ac4ca59808d/chemprop-1.3.1.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.6), version: 1.3.1 2026-07-09T11:12:58,834 Found link https://files.pythonhosted.org/packages/01/6c/332059382c562cdfbd8daef3682c87331fbb5f205f82e18335323d4e9e6e/chemprop-1.4.1.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.6), version: 1.4.1 2026-07-09T11:12:58,835 Found link https://files.pythonhosted.org/packages/34/a5/2cf535b97576eea185371b7c82bf3da94fbd9a49e830b873bb76e13cc7e9/chemprop-1.5.0.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.6), version: 1.5.0 2026-07-09T11:12:58,836 Found link https://files.pythonhosted.org/packages/a7/80/e973ce06160b0eb34fe304e3c677f367922206ce79cd059c0375eff2fb9b/chemprop-1.5.1.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.6), version: 1.5.1 2026-07-09T11:12:58,837 Found link https://files.pythonhosted.org/packages/55/ca/9a346541df7fc06d2ef1dca87ff3aa25e8dee34420a954d219211d42cd7c/chemprop-1.5.2.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.7), version: 1.5.2 2026-07-09T11:12:58,838 Skipping link: No binaries permitted for chemprop: https://files.pythonhosted.org/packages/b9/aa/bdbbedd5994f5196fb33553292994fc5d0fea3974b3114e07ae98aca1b4e/chemprop-1.6.0-py3-none-any.whl (from https://pypi.org/simple/chemprop/) (requires-python:>=3.7) 2026-07-09T11:12:58,839 Found link 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(requires-python:>=3.11) 2026-07-09T11:12:58,858 Found link https://files.pythonhosted.org/packages/65/12/d3de1c2bf84a8a7eff2862b65ef27339d957783ab64d6bc1f3d56ea9e965/chemprop-2.0.5.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.11), version: 2.0.5 2026-07-09T11:12:58,858 Skipping link: No binaries permitted for chemprop: https://files.pythonhosted.org/packages/be/4a/85b97ec3c703f8f7fa7cb94f7224d64ecab2d501a85992ba3ea843398ea1/chemprop-2.1.0-py3-none-any.whl (from https://pypi.org/simple/chemprop/) (requires-python:>=3.11) 2026-07-09T11:12:58,859 Found link https://files.pythonhosted.org/packages/d9/6e/338ff0d40804a2c73fc63221ffe44792434a830dcc0a1892305261182733/chemprop-2.1.0.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:>=3.11), version: 2.1.0 2026-07-09T11:12:58,860 Skipping link: No binaries permitted for chemprop: 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https://pypi.org/simple/chemprop/) (requires-python:<3.15,>=3.11) 2026-07-09T11:12:58,872 Found link https://files.pythonhosted.org/packages/0f/30/c43905c31b600c7354509a9d6af3ebeff5baed2548b07d308ed97d8aab92/chemprop-2.3.0rc1.tar.gz (from https://pypi.org/simple/chemprop/) (requires-python:<3.15,>=3.11), version: 2.3.0rc1 2026-07-09T11:12:58,873 Fetching project page and analyzing links: https://www.piwheels.org/simple/chemprop/ 2026-07-09T11:12:58,874 Getting page https://www.piwheels.org/simple/chemprop/ 2026-07-09T11:12:58,875 Found index url https://www.piwheels.org/simple 2026-07-09T11:12:59,069 Fetched page https://www.piwheels.org/simple/chemprop/ as text/html 2026-07-09T11:12:59,078 Skipping link: No binaries permitted for chemprop: https://www.piwheels.org/simple/chemprop/chemprop-2.2.4-py3-none-any.whl#sha256=80eaf4872f55eb55796fc88e918f75344bacf5e2b28646140b94346b22e9b6a3 (from https://www.piwheels.org/simple/chemprop/) (requires-python:<3.15,>=3.11) 2026-07-09T11:12:59,079 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https://archive1.piwheels.org/simple/chemprop/chemprop-2.1.0-py3-none-any.whl#sha256=d2ea1c5cfc79d35388496cb304cf6aeb0e8e40438e81b4575f82465c457a1e78 (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.11) 2026-07-09T11:12:59,083 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-2.0.4-py3-none-any.whl#sha256=fb307a4ed867682df0653f0f4d3cb914143a085cdbc29e94aa666605874b8e96 (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.11) 2026-07-09T11:12:59,083 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-2.0.3-py3-none-any.whl#sha256=13e0572ade9f34bdc0b91e55610858740c5b6111eabf592a84ae97609dc9b946 (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.11) 2026-07-09T11:12:59,084 Skipping link: No binaries permitted for chemprop: 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https://archive1.piwheels.org/simple/chemprop/chemprop-1.6.1-py3-none-any.whl#sha256=31a9857f243a119255cbf14a95a1a2d954b724d573c99c4af136baccd35fd81f (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.7) 2026-07-09T11:12:59,088 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-1.6.1.dev0-py3-none-any.whl#sha256=91f59235cbefe634a55352d677505dfbff47487f031e81d6ad96be636ca20200 (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.7,<3.9) 2026-07-09T11:12:59,088 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-1.6.0-py3-none-any.whl#sha256=d24aa78331463dca4a4cd330f4e6699f515148a9e9ef25719e5a0c8d6c264259 (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.7) 2026-07-09T11:12:59,089 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-1.5.2-py3-none-any.whl#sha256=6d0abc06f42a696ab9629ea38fa357c9f2ac87059a53c8af3d1f689fe9267ece (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.7) 2026-07-09T11:12:59,089 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-1.5.1-py3-none-any.whl#sha256=4afbffbc588b0bf2d76f68094662d2e9c691298228c0161bead133fa662241e3 (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.6) 2026-07-09T11:12:59,090 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-1.5.0-py3-none-any.whl#sha256=8fe9987ed247550134fe4cbafc53e2f9613ca57c0c3249f2fc7345a6ccd6e3b9 (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.6) 2026-07-09T11:12:59,090 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-1.4.1-py3-none-any.whl#sha256=8f76d08b5c7e47e2fe6080400f05d1458d17edc60ed2ef5f40d758123a2de220 (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.6) 2026-07-09T11:12:59,091 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-1.3.1-py3-none-any.whl#sha256=bc0a910eeaf37758d3881d8e1b5fc3a837f23a140839bde1e5dd3fa5472bbb37 (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.6) 2026-07-09T11:12:59,091 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-1.3.0-py3-none-any.whl#sha256=95073a6381112777b672536985dc52f86cfd93f16d734cc3269b9f52a8b9e1cf (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.6) 2026-07-09T11:12:59,092 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-1.2.0-py3-none-any.whl#sha256=dbab9de8f1fde889df012351f9472f2b5aeef8f32687e0fd61063fd84241c0cf (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.6) 2026-07-09T11:12:59,093 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-1.1.0-py3-none-any.whl#sha256=38a5fb6ceea0d22a2bf1e678dccf74799375de98572a2ae0e7590c73548576d4 (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.6) 2026-07-09T11:12:59,093 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-1.0.2-py3-none-any.whl#sha256=a795a10c12be0e0a9edf5a7e10d1f9ec4f72b709477c844f46841edbed1d9b79 (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.6) 2026-07-09T11:12:59,094 Skipping link: No binaries permitted for chemprop: https://archive1.piwheels.org/simple/chemprop/chemprop-1.0.1-py3-none-any.whl#sha256=f84b2db11274ec940e8849847ea1f609b1adcd51677720410c048c2fc3672b55 (from https://www.piwheels.org/simple/chemprop/) (requires-python:>=3.6) 2026-07-09T11:12:59,094 Skipping link: not a file: https://www.piwheels.org/simple/chemprop/ 2026-07-09T11:12:59,095 Skipping link: not a file: https://pypi.org/simple/chemprop/ 2026-07-09T11:12:59,119 Given no hashes to check 1 links for project 'chemprop': discarding no candidates 2026-07-09T11:12:59,139 Collecting chemprop==2.3.0rc1 2026-07-09T11:12:59,141 Created temporary directory: /tmp/pip-unpack-_wct6ps2 2026-07-09T11:12:59,372 Downloading chemprop-2.3.0rc1.tar.gz (134 kB) 2026-07-09T11:12:59,677 Added chemprop==2.3.0rc1 from https://files.pythonhosted.org/packages/0f/30/c43905c31b600c7354509a9d6af3ebeff5baed2548b07d308ed97d8aab92/chemprop-2.3.0rc1.tar.gz to build tracker '/tmp/pip-build-tracker-tece6f0p' 2026-07-09T11:12:59,685 Created temporary directory: /tmp/pip-build-env-nf7r4sg9 2026-07-09T11:12:59,689 Installing build dependencies: started 2026-07-09T11:12:59,690 Running command pip subprocess to install build dependencies 2026-07-09T11:13:00,898 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2026-07-09T11:13:01,315 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 2026-07-09T11:13:01,340 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-07-09T11:13:03,185 Collecting setuptools>=45 2026-07-09T11:13:03,187 Obtaining dependency information for setuptools>=45 from https://www.piwheels.org/simple/setuptools/setuptools-83.0.0-py3-none-any.whl.metadata 2026-07-09T11:13:03,201 Using cached https://www.piwheels.org/simple/setuptools/setuptools-83.0.0-py3-none-any.whl.metadata (6.6 kB) 2026-07-09T11:13:03,440 Collecting wheel 2026-07-09T11:13:03,441 Obtaining dependency information for wheel from https://www.piwheels.org/simple/wheel/wheel-0.47.0-py3-none-any.whl.metadata 2026-07-09T11:13:03,456 Using cached https://www.piwheels.org/simple/wheel/wheel-0.47.0-py3-none-any.whl.metadata (2.3 kB) 2026-07-09T11:13:03,808 Collecting setuptools_scm[toml]>=6.2 2026-07-09T11:13:03,809 Obtaining dependency information for setuptools_scm[toml]>=6.2 from https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.0-py3-none-any.whl.metadata 2026-07-09T11:13:03,824 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.0-py3-none-any.whl.metadata (6.6 kB) 2026-07-09T11:13:03,835 Discarding https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.0-py3-none-any.whl#sha256=aea276de3de0e7db4e236bb9e5a53d6c9a6dddf092f72d3b6b14f6c8c0620c3c (from https://www.piwheels.org/simple/setuptools-scm/) (requires-python:>=3.8): Requested setuptools_scm>=6.2 from https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.0-py3-none-any.whl#sha256=aea276de3de0e7db4e236bb9e5a53d6c9a6dddf092f72d3b6b14f6c8c0620c3c has inconsistent Name: expected 'setuptools_scm', but metadata has 'setuptools-scm' 2026-07-09T11:13:03,860 Using cached setuptools_scm-10.2.0-py3-none-any.whl (27 kB) 2026-07-09T11:13:04,046 Collecting packaging>=24.0 2026-07-09T11:13:04,047 Obtaining dependency information for packaging>=24.0 from https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl.metadata 2026-07-09T11:13:04,060 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl.metadata (3.5 kB) 2026-07-09T11:13:04,162 Collecting vcs-versioning<3,>=2.0.0.dev0 2026-07-09T11:13:04,163 Obtaining dependency information for vcs-versioning<3,>=2.0.0.dev0 from https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.2.2-py3-none-any.whl.metadata 2026-07-09T11:13:04,177 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.2.2-py3-none-any.whl.metadata (1.7 kB) 2026-07-09T11:13:04,427 Using cached https://www.piwheels.org/simple/wheel/wheel-0.47.0-py3-none-any.whl (32 kB) 2026-07-09T11:13:04,448 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl (100 kB) 2026-07-09T11:13:04,470 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.2.2-py3-none-any.whl (108 kB) 2026-07-09T11:13:04,550 Using cached https://www.piwheels.org/simple/setuptools/setuptools-83.0.0-py3-none-any.whl (1.0 MB) 2026-07-09T11:13:04,583 Using cached https://www.piwheels.org/simple/wheel/wheel-0.47.0-py3-none-any.whl (32 kB) 2026-07-09T11:13:04,608 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl (100 kB) 2026-07-09T11:13:04,636 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.2.2-py3-none-any.whl (108 kB) 2026-07-09T11:13:04,737 Using cached https://www.piwheels.org/simple/setuptools/setuptools-83.0.0-py3-none-any.whl (1.0 MB) 2026-07-09T11:13:07,519 Installing collected packages: setuptools, packaging, wheel, vcs-versioning, setuptools_scm 2026-07-09T11:13:11,012 Creating /tmp/pip-build-env-nf7r4sg9/overlay/local/bin 2026-07-09T11:13:11,014 changing mode of /tmp/pip-build-env-nf7r4sg9/overlay/local/bin/wheel to 755 2026-07-09T11:13:11,452 changing mode of /tmp/pip-build-env-nf7r4sg9/overlay/local/bin/vcs-versioning to 755 2026-07-09T11:13:11,585 changing mode of /tmp/pip-build-env-nf7r4sg9/overlay/local/bin/setuptools-scm to 755 2026-07-09T11:13:11,621 Successfully installed packaging-26.2 setuptools-83.0.0 setuptools_scm-10.2.0 vcs-versioning-2.2.2 wheel-0.47.0 2026-07-09T11:13:11,924 Installing build dependencies: finished with status 'done' 2026-07-09T11:13:11,931 Getting requirements to build wheel: started 2026-07-09T11:13:11,932 Running command Getting requirements to build wheel 2026-07-09T11:13:12,656 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-07-09T11:13:12,657 !! 2026-07-09T11:13:12,658 ******************************************************************************** 2026-07-09T11:13:12,659 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). 2026-07-09T11:13:12,660 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-07-09T11:13:12,660 or your builds will no longer be supported. 2026-07-09T11:13:12,661 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-07-09T11:13:12,662 ******************************************************************************** 2026-07-09T11:13:12,663 !! 2026-07-09T11:13:12,664 corresp(dist, value, root_dir) 2026-07-09T11:13:12,721 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-07-09T11:13:12,722 !! 2026-07-09T11:13:12,723 ******************************************************************************** 2026-07-09T11:13:12,723 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-07-09T11:13:12,724 License :: OSI Approved :: MIT License 2026-07-09T11:13:12,725 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-07-09T11:13:12,725 ******************************************************************************** 2026-07-09T11:13:12,727 !! 2026-07-09T11:13:12,727 dist._finalize_license_expression() 2026-07-09T11:13:12,727 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-07-09T11:13:12,728 !! 2026-07-09T11:13:12,729 ******************************************************************************** 2026-07-09T11:13:12,729 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-07-09T11:13:12,730 License :: OSI Approved :: MIT License 2026-07-09T11:13:12,731 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-07-09T11:13:12,732 ******************************************************************************** 2026-07-09T11:13:12,733 !! 2026-07-09T11:13:12,733 self._finalize_license_expression() 2026-07-09T11:13:12,734 running egg_info 2026-07-09T11:13:12,739 writing chemprop.egg-info/PKG-INFO 2026-07-09T11:13:12,748 writing dependency_links to chemprop.egg-info/dependency_links.txt 2026-07-09T11:13:12,750 writing entry points to chemprop.egg-info/entry_points.txt 2026-07-09T11:13:12,755 writing requirements to chemprop.egg-info/requires.txt 2026-07-09T11:13:12,756 writing top-level names to chemprop.egg-info/top_level.txt 2026-07-09T11:13:12,801 listing git files failed - pretending there aren't any 2026-07-09T11:13:12,810 reading manifest file 'chemprop.egg-info/SOURCES.txt' 2026-07-09T11:13:12,816 reading manifest template 'MANIFEST.in' 2026-07-09T11:13:12,844 warning: no previously-included files matching '*.pyc' found anywhere in distribution 2026-07-09T11:13:12,845 warning: no previously-included files matching '__pycache__' found anywhere in distribution 2026-07-09T11:13:12,846 no previously-included directories found matching 'tests' 2026-07-09T11:13:12,847 no previously-included directories found matching 'docs' 2026-07-09T11:13:12,848 no previously-included directories found matching 'notebooks' 2026-07-09T11:13:12,849 no previously-included directories found matching 'examples' 2026-07-09T11:13:12,849 no previously-included directories found matching 'requirements' 2026-07-09T11:13:12,850 no previously-included directories found matching '.github' 2026-07-09T11:13:12,851 adding license file 'LICENSE.txt' 2026-07-09T11:13:12,856 writing manifest file 'chemprop.egg-info/SOURCES.txt' 2026-07-09T11:13:12,962 Getting requirements to build wheel: finished with status 'done' 2026-07-09T11:13:12,966 Created temporary directory: /tmp/pip-modern-metadata-73e7by8x 2026-07-09T11:13:12,968 Preparing metadata (pyproject.toml): started 2026-07-09T11:13:12,970 Running command Preparing metadata (pyproject.toml) 2026-07-09T11:13:13,635 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-07-09T11:13:13,635 !! 2026-07-09T11:13:13,636 ******************************************************************************** 2026-07-09T11:13:13,637 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). 2026-07-09T11:13:13,638 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-07-09T11:13:13,639 or your builds will no longer be supported. 2026-07-09T11:13:13,639 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-07-09T11:13:13,640 ******************************************************************************** 2026-07-09T11:13:13,641 !! 2026-07-09T11:13:13,641 corresp(dist, value, root_dir) 2026-07-09T11:13:13,692 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-07-09T11:13:13,693 !! 2026-07-09T11:13:13,694 ******************************************************************************** 2026-07-09T11:13:13,694 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-07-09T11:13:13,695 License :: OSI Approved :: MIT License 2026-07-09T11:13:13,696 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-07-09T11:13:13,697 ******************************************************************************** 2026-07-09T11:13:13,698 !! 2026-07-09T11:13:13,698 dist._finalize_license_expression() 2026-07-09T11:13:13,699 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-07-09T11:13:13,699 !! 2026-07-09T11:13:13,700 ******************************************************************************** 2026-07-09T11:13:13,701 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-07-09T11:13:13,702 License :: OSI Approved :: MIT License 2026-07-09T11:13:13,703 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-07-09T11:13:13,703 ******************************************************************************** 2026-07-09T11:13:13,704 !! 2026-07-09T11:13:13,705 self._finalize_license_expression() 2026-07-09T11:13:13,706 running dist_info 2026-07-09T11:13:13,708 creating /tmp/pip-modern-metadata-73e7by8x/chemprop.egg-info 2026-07-09T11:13:13,715 writing /tmp/pip-modern-metadata-73e7by8x/chemprop.egg-info/PKG-INFO 2026-07-09T11:13:13,724 writing dependency_links to /tmp/pip-modern-metadata-73e7by8x/chemprop.egg-info/dependency_links.txt 2026-07-09T11:13:13,726 writing entry points to /tmp/pip-modern-metadata-73e7by8x/chemprop.egg-info/entry_points.txt 2026-07-09T11:13:13,731 writing requirements to /tmp/pip-modern-metadata-73e7by8x/chemprop.egg-info/requires.txt 2026-07-09T11:13:13,732 writing top-level names to /tmp/pip-modern-metadata-73e7by8x/chemprop.egg-info/top_level.txt 2026-07-09T11:13:13,733 writing manifest file '/tmp/pip-modern-metadata-73e7by8x/chemprop.egg-info/SOURCES.txt' 2026-07-09T11:13:13,774 listing git files failed - pretending there aren't any 2026-07-09T11:13:13,781 reading manifest file '/tmp/pip-modern-metadata-73e7by8x/chemprop.egg-info/SOURCES.txt' 2026-07-09T11:13:13,783 reading manifest template 'MANIFEST.in' 2026-07-09T11:13:13,812 warning: no previously-included files matching '*.pyc' found anywhere in distribution 2026-07-09T11:13:13,812 warning: no previously-included files matching '__pycache__' found anywhere in distribution 2026-07-09T11:13:13,813 no previously-included directories found matching 'tests' 2026-07-09T11:13:13,814 no previously-included directories found matching 'docs' 2026-07-09T11:13:13,814 no previously-included directories found matching 'notebooks' 2026-07-09T11:13:13,815 no previously-included directories found matching 'examples' 2026-07-09T11:13:13,816 no previously-included directories found matching 'requirements' 2026-07-09T11:13:13,816 no previously-included directories found matching '.github' 2026-07-09T11:13:13,817 adding license file 'LICENSE.txt' 2026-07-09T11:13:13,821 writing manifest file '/tmp/pip-modern-metadata-73e7by8x/chemprop.egg-info/SOURCES.txt' 2026-07-09T11:13:13,822 creating '/tmp/pip-modern-metadata-73e7by8x/chemprop-2.3.0rc1.dist-info' 2026-07-09T11:13:13,956 Preparing metadata (pyproject.toml): finished with status 'done' 2026-07-09T11:13:13,962 Source in /tmp/pip-wheel-2jgobf4d/chemprop_56c61264769b4fe68170f2c7ec5604a5 has version 2.3.0rc1, which satisfies requirement chemprop==2.3.0rc1 from https://files.pythonhosted.org/packages/0f/30/c43905c31b600c7354509a9d6af3ebeff5baed2548b07d308ed97d8aab92/chemprop-2.3.0rc1.tar.gz 2026-07-09T11:13:13,963 Removed chemprop==2.3.0rc1 from https://files.pythonhosted.org/packages/0f/30/c43905c31b600c7354509a9d6af3ebeff5baed2548b07d308ed97d8aab92/chemprop-2.3.0rc1.tar.gz from build tracker '/tmp/pip-build-tracker-tece6f0p' 2026-07-09T11:13:13,969 Created temporary directory: /tmp/pip-unpack-vqn3qzc8 2026-07-09T11:13:13,970 Building wheels for collected packages: chemprop 2026-07-09T11:13:13,974 Created temporary directory: /tmp/pip-wheel-_sbbefpf 2026-07-09T11:13:13,975 Destination directory: /tmp/pip-wheel-_sbbefpf 2026-07-09T11:13:13,977 Building wheel for chemprop (pyproject.toml): started 2026-07-09T11:13:13,978 Running command Building wheel for chemprop (pyproject.toml) 2026-07-09T11:13:14,629 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-07-09T11:13:14,630 !! 2026-07-09T11:13:14,631 ******************************************************************************** 2026-07-09T11:13:14,631 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). 2026-07-09T11:13:14,633 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-07-09T11:13:14,633 or your builds will no longer be supported. 2026-07-09T11:13:14,634 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-07-09T11:13:14,635 ******************************************************************************** 2026-07-09T11:13:14,636 !! 2026-07-09T11:13:14,637 corresp(dist, value, root_dir) 2026-07-09T11:13:14,684 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-07-09T11:13:14,685 !! 2026-07-09T11:13:14,686 ******************************************************************************** 2026-07-09T11:13:14,687 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-07-09T11:13:14,688 License :: OSI Approved :: MIT License 2026-07-09T11:13:14,689 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-07-09T11:13:14,690 ******************************************************************************** 2026-07-09T11:13:14,691 !! 2026-07-09T11:13:14,691 dist._finalize_license_expression() 2026-07-09T11:13:14,692 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-07-09T11:13:14,693 !! 2026-07-09T11:13:14,694 ******************************************************************************** 2026-07-09T11:13:14,695 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-07-09T11:13:14,696 License :: OSI Approved :: MIT License 2026-07-09T11:13:14,697 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-07-09T11:13:14,698 ******************************************************************************** 2026-07-09T11:13:14,699 !! 2026-07-09T11:13:14,700 self._finalize_license_expression() 2026-07-09T11:13:14,700 running bdist_wheel 2026-07-09T11:13:14,721 running build 2026-07-09T11:13:14,721 running build_py 2026-07-09T11:13:14,723 creating build/lib/chemprop 2026-07-09T11:13:14,725 copying chemprop/__init__.py -> build/lib/chemprop 2026-07-09T11:13:14,727 copying chemprop/exceptions.py -> build/lib/chemprop 2026-07-09T11:13:14,729 copying chemprop/types.py -> build/lib/chemprop 2026-07-09T11:13:14,731 copying chemprop/schedulers.py -> build/lib/chemprop 2026-07-09T11:13:14,733 copying chemprop/conf.py -> build/lib/chemprop 2026-07-09T11:13:14,734 running egg_info 2026-07-09T11:13:14,742 writing chemprop.egg-info/PKG-INFO 2026-07-09T11:13:14,751 writing dependency_links to chemprop.egg-info/dependency_links.txt 2026-07-09T11:13:14,752 writing entry points to chemprop.egg-info/entry_points.txt 2026-07-09T11:13:14,756 writing requirements to chemprop.egg-info/requires.txt 2026-07-09T11:13:14,757 writing top-level names to chemprop.egg-info/top_level.txt 2026-07-09T11:13:14,792 listing git files failed - pretending there aren't any 2026-07-09T11:13:14,799 reading manifest file 'chemprop.egg-info/SOURCES.txt' 2026-07-09T11:13:14,805 reading manifest template 'MANIFEST.in' 2026-07-09T11:13:14,835 warning: no previously-included files matching '*.pyc' found anywhere in distribution 2026-07-09T11:13:14,836 warning: no previously-included files matching '__pycache__' found anywhere in distribution 2026-07-09T11:13:14,837 no previously-included directories found matching 'tests' 2026-07-09T11:13:14,838 no previously-included directories found matching 'docs' 2026-07-09T11:13:14,839 no previously-included directories found matching 'notebooks' 2026-07-09T11:13:14,839 no previously-included directories found matching 'examples' 2026-07-09T11:13:14,840 no previously-included directories found matching 'requirements' 2026-07-09T11:13:14,841 no previously-included directories found matching '.github' 2026-07-09T11:13:14,842 adding license file 'LICENSE.txt' 2026-07-09T11:13:14,847 writing manifest file 'chemprop.egg-info/SOURCES.txt' 2026-07-09T11:13:14,850 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'chemprop.callbacks' is absent from the `packages` configuration. 2026-07-09T11:13:14,850 !! 2026-07-09T11:13:14,851 ******************************************************************************** 2026-07-09T11:13:14,852 ############################ 2026-07-09T11:13:14,853 # Package would be ignored # 2026-07-09T11:13:14,853 ############################ 2026-07-09T11:13:14,854 Python recognizes 'chemprop.callbacks' as an importable package[^1], 2026-07-09T11:13:14,854 but it is absent from setuptools' `packages` configuration. 2026-07-09T11:13:14,855 This leads to an ambiguous overall configuration. If you want to distribute this 2026-07-09T11:13:14,856 package, please make sure that 'chemprop.callbacks' is explicitly added 2026-07-09T11:13:14,857 to the `packages` configuration field. 2026-07-09T11:13:14,858 Alternatively, you can also rely on setuptools' discovery methods 2026-07-09T11:13:14,858 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-07-09T11:13:14,859 instead of `find_packages(...)`/`find:`). 2026-07-09T11:13:14,860 You can read more about "package discovery" on setuptools documentation page: 2026-07-09T11:13:14,861 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-07-09T11:13:14,862 If you don't want 'chemprop.callbacks' to be distributed and are 2026-07-09T11:13:14,863 already explicitly excluding 'chemprop.callbacks' via 2026-07-09T11:13:14,863 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-07-09T11:13:14,864 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-07-09T11:13:14,865 combination with a more fine grained `package-data` configuration. 2026-07-09T11:13:14,866 You can read more about "package data files" on setuptools documentation page: 2026-07-09T11:13:14,866 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-07-09T11:13:14,868 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-07-09T11:13:14,869 even if it does not contain any `.py` files. 2026-07-09T11:13:14,869 On the other hand, currently there is no concept of package data 2026-07-09T11:13:14,870 directory, all directories are treated like packages. 2026-07-09T11:13:14,870 ******************************************************************************** 2026-07-09T11:13:14,871 !! 2026-07-09T11:13:14,872 check.warn(importable) 2026-07-09T11:13:14,872 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'chemprop.cli' is absent from the `packages` configuration. 2026-07-09T11:13:14,873 !! 2026-07-09T11:13:14,874 ******************************************************************************** 2026-07-09T11:13:14,875 ############################ 2026-07-09T11:13:14,875 # Package would be ignored # 2026-07-09T11:13:14,876 ############################ 2026-07-09T11:13:14,877 Python recognizes 'chemprop.cli' as an importable package[^1], 2026-07-09T11:13:14,877 but it is absent from setuptools' `packages` configuration. 2026-07-09T11:13:14,878 This leads to an ambiguous overall configuration. If you want to distribute this 2026-07-09T11:13:14,879 package, please make sure that 'chemprop.cli' is explicitly added 2026-07-09T11:13:14,879 to the `packages` configuration field. 2026-07-09T11:13:14,880 Alternatively, you can also rely on setuptools' discovery methods 2026-07-09T11:13:14,881 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-07-09T11:13:14,882 instead of `find_packages(...)`/`find:`). 2026-07-09T11:13:14,883 You can read more about "package discovery" on setuptools documentation page: 2026-07-09T11:13:14,884 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-07-09T11:13:14,885 If you don't want 'chemprop.cli' to be distributed and are 2026-07-09T11:13:14,886 already explicitly excluding 'chemprop.cli' via 2026-07-09T11:13:14,886 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-07-09T11:13:14,887 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-07-09T11:13:14,888 combination with a more fine grained `package-data` configuration. 2026-07-09T11:13:14,889 You can read more about "package data files" on setuptools documentation page: 2026-07-09T11:13:14,890 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-07-09T11:13:14,892 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-07-09T11:13:14,893 even if it does not contain any `.py` files. 2026-07-09T11:13:14,893 On the other hand, currently there is no concept of package data 2026-07-09T11:13:14,894 directory, all directories are treated like packages. 2026-07-09T11:13:14,895 ******************************************************************************** 2026-07-09T11:13:14,896 !! 2026-07-09T11:13:14,897 check.warn(importable) 2026-07-09T11:13:14,897 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'chemprop.cli.utils' is absent from the `packages` configuration. 2026-07-09T11:13:14,898 !! 2026-07-09T11:13:14,899 ******************************************************************************** 2026-07-09T11:13:14,900 ############################ 2026-07-09T11:13:14,900 # Package would be ignored # 2026-07-09T11:13:14,901 ############################ 2026-07-09T11:13:14,901 Python recognizes 'chemprop.cli.utils' as an importable package[^1], 2026-07-09T11:13:14,902 but it is absent from setuptools' `packages` configuration. 2026-07-09T11:13:14,903 This leads to an ambiguous overall configuration. If you want to distribute this 2026-07-09T11:13:14,903 package, please make sure that 'chemprop.cli.utils' is explicitly added 2026-07-09T11:13:14,904 to the `packages` configuration field. 2026-07-09T11:13:14,905 Alternatively, you can also rely on setuptools' discovery methods 2026-07-09T11:13:14,906 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-07-09T11:13:14,906 instead of `find_packages(...)`/`find:`). 2026-07-09T11:13:14,907 You can read more about "package discovery" on setuptools documentation page: 2026-07-09T11:13:14,908 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-07-09T11:13:14,909 If you don't want 'chemprop.cli.utils' to be distributed and are 2026-07-09T11:13:14,910 already explicitly excluding 'chemprop.cli.utils' via 2026-07-09T11:13:14,911 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-07-09T11:13:14,911 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-07-09T11:13:14,911 combination with a more fine grained `package-data` configuration. 2026-07-09T11:13:14,912 You can read more about "package data files" on setuptools documentation page: 2026-07-09T11:13:14,913 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-07-09T11:13:14,915 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-07-09T11:13:14,916 even if it does not contain any `.py` files. 2026-07-09T11:13:14,916 On the other hand, currently there is no concept of package data 2026-07-09T11:13:14,917 directory, all directories are treated like packages. 2026-07-09T11:13:14,917 ******************************************************************************** 2026-07-09T11:13:14,918 !! 2026-07-09T11:13:14,919 check.warn(importable) 2026-07-09T11:13:14,919 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'chemprop.data' is absent from the `packages` configuration. 2026-07-09T11:13:14,920 !! 2026-07-09T11:13:14,921 ******************************************************************************** 2026-07-09T11:13:14,922 ############################ 2026-07-09T11:13:14,922 # Package would be ignored # 2026-07-09T11:13:14,923 ############################ 2026-07-09T11:13:14,923 Python recognizes 'chemprop.data' as an importable package[^1], 2026-07-09T11:13:14,924 but it is absent from setuptools' `packages` configuration. 2026-07-09T11:13:14,925 This leads to an ambiguous overall configuration. If you want to distribute this 2026-07-09T11:13:14,926 package, please make sure that 'chemprop.data' is explicitly added 2026-07-09T11:13:14,927 to the `packages` configuration field. 2026-07-09T11:13:14,928 Alternatively, you can also rely on setuptools' discovery methods 2026-07-09T11:13:14,928 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-07-09T11:13:14,929 instead of `find_packages(...)`/`find:`). 2026-07-09T11:13:14,930 You can read more about "package discovery" on setuptools documentation page: 2026-07-09T11:13:14,931 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-07-09T11:13:14,932 If you don't want 'chemprop.data' to be distributed and are 2026-07-09T11:13:14,933 already explicitly excluding 'chemprop.data' via 2026-07-09T11:13:14,934 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-07-09T11:13:14,934 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-07-09T11:13:14,935 combination with a more fine grained `package-data` configuration. 2026-07-09T11:13:14,936 You can read more about "package data files" on setuptools documentation page: 2026-07-09T11:13:14,937 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-07-09T11:13:14,939 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-07-09T11:13:14,939 even if it does not contain any `.py` files. 2026-07-09T11:13:14,940 On the other hand, currently there is no concept of package data 2026-07-09T11:13:14,940 directory, all directories are treated like packages. 2026-07-09T11:13:14,941 ******************************************************************************** 2026-07-09T11:13:14,942 !! 2026-07-09T11:13:14,943 check.warn(importable) 2026-07-09T11:13:14,943 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'chemprop.featurizers' is absent from the `packages` configuration. 2026-07-09T11:13:14,944 !! 2026-07-09T11:13:14,945 ******************************************************************************** 2026-07-09T11:13:14,945 ############################ 2026-07-09T11:13:14,946 # Package would be ignored # 2026-07-09T11:13:14,946 ############################ 2026-07-09T11:13:14,947 Python recognizes 'chemprop.featurizers' as an importable package[^1], 2026-07-09T11:13:14,947 but it is absent from setuptools' `packages` configuration. 2026-07-09T11:13:14,948 This leads to an ambiguous overall configuration. If you want to distribute this 2026-07-09T11:13:14,949 package, please make sure that 'chemprop.featurizers' is explicitly added 2026-07-09T11:13:14,949 to the `packages` configuration field. 2026-07-09T11:13:14,950 Alternatively, you can also rely on setuptools' discovery methods 2026-07-09T11:13:14,951 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-07-09T11:13:14,951 instead of `find_packages(...)`/`find:`). 2026-07-09T11:13:14,952 You can read more about "package discovery" on setuptools documentation page: 2026-07-09T11:13:14,954 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-07-09T11:13:14,955 If you don't want 'chemprop.featurizers' to be distributed and are 2026-07-09T11:13:14,955 already explicitly excluding 'chemprop.featurizers' via 2026-07-09T11:13:14,956 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-07-09T11:13:14,957 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-07-09T11:13:14,957 combination with a more fine grained `package-data` configuration. 2026-07-09T11:13:14,958 You can read more about "package data files" on setuptools documentation page: 2026-07-09T11:13:14,959 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-07-09T11:13:14,961 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-07-09T11:13:14,962 even if it does not contain any `.py` files. 2026-07-09T11:13:14,962 On the other hand, currently there is no concept of package data 2026-07-09T11:13:14,963 directory, all directories are treated like packages. 2026-07-09T11:13:14,963 ******************************************************************************** 2026-07-09T11:13:14,964 !! 2026-07-09T11:13:14,965 check.warn(importable) 2026-07-09T11:13:14,965 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'chemprop.featurizers.molgraph' is absent from the `packages` configuration. 2026-07-09T11:13:14,966 !! 2026-07-09T11:13:14,967 ******************************************************************************** 2026-07-09T11:13:14,967 ############################ 2026-07-09T11:13:14,968 # Package would be ignored # 2026-07-09T11:13:14,968 ############################ 2026-07-09T11:13:14,969 Python recognizes 'chemprop.featurizers.molgraph' as an importable package[^1], 2026-07-09T11:13:14,969 but it is absent from setuptools' `packages` configuration. 2026-07-09T11:13:14,970 This leads to an ambiguous overall configuration. If you want to distribute this 2026-07-09T11:13:14,971 package, please make sure that 'chemprop.featurizers.molgraph' is explicitly added 2026-07-09T11:13:14,971 to the `packages` configuration field. 2026-07-09T11:13:14,972 Alternatively, you can also rely on setuptools' discovery methods 2026-07-09T11:13:14,972 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-07-09T11:13:14,973 instead of `find_packages(...)`/`find:`). 2026-07-09T11:13:14,974 You can read more about "package discovery" on setuptools documentation page: 2026-07-09T11:13:14,975 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-07-09T11:13:14,976 If you don't want 'chemprop.featurizers.molgraph' to be distributed and are 2026-07-09T11:13:14,976 already explicitly excluding 'chemprop.featurizers.molgraph' via 2026-07-09T11:13:14,977 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-07-09T11:13:14,977 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-07-09T11:13:14,978 combination with a more fine grained `package-data` configuration. 2026-07-09T11:13:14,979 You can read more about "package data files" on setuptools documentation page: 2026-07-09T11:13:14,980 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-07-09T11:13:14,981 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-07-09T11:13:14,982 even if it does not contain any `.py` files. 2026-07-09T11:13:14,982 On the other hand, currently there is no concept of package data 2026-07-09T11:13:14,983 directory, all directories are treated like packages. 2026-07-09T11:13:14,983 ******************************************************************************** 2026-07-09T11:13:14,984 !! 2026-07-09T11:13:14,985 check.warn(importable) 2026-07-09T11:13:14,985 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'chemprop.models' is absent from the `packages` configuration. 2026-07-09T11:13:14,986 !! 2026-07-09T11:13:14,987 ******************************************************************************** 2026-07-09T11:13:14,987 ############################ 2026-07-09T11:13:14,988 # Package would be ignored # 2026-07-09T11:13:14,989 ############################ 2026-07-09T11:13:14,989 Python recognizes 'chemprop.models' as an importable package[^1], 2026-07-09T11:13:14,990 but it is absent from setuptools' `packages` configuration. 2026-07-09T11:13:14,991 This leads to an ambiguous overall configuration. If you want to distribute this 2026-07-09T11:13:14,991 package, please make sure that 'chemprop.models' is explicitly added 2026-07-09T11:13:14,992 to the `packages` configuration field. 2026-07-09T11:13:14,993 Alternatively, you can also rely on setuptools' discovery methods 2026-07-09T11:13:14,993 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-07-09T11:13:14,994 instead of `find_packages(...)`/`find:`). 2026-07-09T11:13:14,995 You can read more about "package discovery" on setuptools documentation page: 2026-07-09T11:13:14,996 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-07-09T11:13:14,996 If you don't want 'chemprop.models' to be distributed and are 2026-07-09T11:13:14,997 already explicitly excluding 'chemprop.models' via 2026-07-09T11:13:14,997 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-07-09T11:13:14,998 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-07-09T11:13:14,998 combination with a more fine grained `package-data` configuration. 2026-07-09T11:13:14,999 You can read more about "package data files" on setuptools documentation page: 2026-07-09T11:13:15,000 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-07-09T11:13:15,001 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-07-09T11:13:15,002 even if it does not contain any `.py` files. 2026-07-09T11:13:15,002 On the other hand, currently there is no concept of package data 2026-07-09T11:13:15,003 directory, all directories are treated like packages. 2026-07-09T11:13:15,003 ******************************************************************************** 2026-07-09T11:13:15,004 !! 2026-07-09T11:13:15,005 check.warn(importable) 2026-07-09T11:13:15,005 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'chemprop.nn' is absent from the `packages` configuration. 2026-07-09T11:13:15,005 !! 2026-07-09T11:13:15,006 ******************************************************************************** 2026-07-09T11:13:15,007 ############################ 2026-07-09T11:13:15,007 # Package would be ignored # 2026-07-09T11:13:15,008 ############################ 2026-07-09T11:13:15,008 Python recognizes 'chemprop.nn' as an importable package[^1], 2026-07-09T11:13:15,009 but it is absent from setuptools' `packages` configuration. 2026-07-09T11:13:15,010 This leads to an ambiguous overall configuration. If you want to distribute this 2026-07-09T11:13:15,010 package, please make sure that 'chemprop.nn' is explicitly added 2026-07-09T11:13:15,011 to the `packages` configuration field. 2026-07-09T11:13:15,012 Alternatively, you can also rely on setuptools' discovery methods 2026-07-09T11:13:15,012 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-07-09T11:13:15,013 instead of `find_packages(...)`/`find:`). 2026-07-09T11:13:15,014 You can read more about "package discovery" on setuptools documentation page: 2026-07-09T11:13:15,015 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-07-09T11:13:15,016 If you don't want 'chemprop.nn' to be distributed and are 2026-07-09T11:13:15,016 already explicitly excluding 'chemprop.nn' via 2026-07-09T11:13:15,017 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-07-09T11:13:15,017 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-07-09T11:13:15,018 combination with a more fine grained `package-data` configuration. 2026-07-09T11:13:15,019 You can read more about "package data files" on setuptools documentation page: 2026-07-09T11:13:15,020 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-07-09T11:13:15,021 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-07-09T11:13:15,022 even if it does not contain any `.py` files. 2026-07-09T11:13:15,022 On the other hand, currently there is no concept of package data 2026-07-09T11:13:15,023 directory, all directories are treated like packages. 2026-07-09T11:13:15,023 ******************************************************************************** 2026-07-09T11:13:15,024 !! 2026-07-09T11:13:15,025 check.warn(importable) 2026-07-09T11:13:15,025 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'chemprop.nn.message_passing' is absent from the `packages` configuration. 2026-07-09T11:13:15,025 !! 2026-07-09T11:13:15,026 ******************************************************************************** 2026-07-09T11:13:15,027 ############################ 2026-07-09T11:13:15,027 # Package would be ignored # 2026-07-09T11:13:15,028 ############################ 2026-07-09T11:13:15,028 Python recognizes 'chemprop.nn.message_passing' as an importable package[^1], 2026-07-09T11:13:15,029 but it is absent from setuptools' `packages` configuration. 2026-07-09T11:13:15,030 This leads to an ambiguous overall configuration. If you want to distribute this 2026-07-09T11:13:15,030 package, please make sure that 'chemprop.nn.message_passing' is explicitly added 2026-07-09T11:13:15,031 to the `packages` configuration field. 2026-07-09T11:13:15,031 Alternatively, you can also rely on setuptools' discovery methods 2026-07-09T11:13:15,032 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-07-09T11:13:15,032 instead of `find_packages(...)`/`find:`). 2026-07-09T11:13:15,033 You can read more about "package discovery" on setuptools documentation page: 2026-07-09T11:13:15,034 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-07-09T11:13:15,035 If you don't want 'chemprop.nn.message_passing' to be distributed and are 2026-07-09T11:13:15,036 already explicitly excluding 'chemprop.nn.message_passing' via 2026-07-09T11:13:15,036 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-07-09T11:13:15,037 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-07-09T11:13:15,037 combination with a more fine grained `package-data` configuration. 2026-07-09T11:13:15,038 You can read more about "package data files" on setuptools documentation page: 2026-07-09T11:13:15,039 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-07-09T11:13:15,041 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-07-09T11:13:15,041 even if it does not contain any `.py` files. 2026-07-09T11:13:15,042 On the other hand, currently there is no concept of package data 2026-07-09T11:13:15,042 directory, all directories are treated like packages. 2026-07-09T11:13:15,043 ******************************************************************************** 2026-07-09T11:13:15,044 !! 2026-07-09T11:13:15,044 check.warn(importable) 2026-07-09T11:13:15,045 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'chemprop.uncertainty' is absent from the `packages` configuration. 2026-07-09T11:13:15,045 !! 2026-07-09T11:13:15,046 ******************************************************************************** 2026-07-09T11:13:15,047 ############################ 2026-07-09T11:13:15,047 # Package would be ignored # 2026-07-09T11:13:15,048 ############################ 2026-07-09T11:13:15,048 Python recognizes 'chemprop.uncertainty' as an importable package[^1], 2026-07-09T11:13:15,049 but it is absent from setuptools' `packages` configuration. 2026-07-09T11:13:15,050 This leads to an ambiguous overall configuration. If you want to distribute this 2026-07-09T11:13:15,050 package, please make sure that 'chemprop.uncertainty' is explicitly added 2026-07-09T11:13:15,051 to the `packages` configuration field. 2026-07-09T11:13:15,052 Alternatively, you can also rely on setuptools' discovery methods 2026-07-09T11:13:15,052 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-07-09T11:13:15,053 instead of `find_packages(...)`/`find:`). 2026-07-09T11:13:15,053 You can read more about "package discovery" on setuptools documentation page: 2026-07-09T11:13:15,054 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-07-09T11:13:15,055 If you don't want 'chemprop.uncertainty' to be distributed and are 2026-07-09T11:13:15,056 already explicitly excluding 'chemprop.uncertainty' via 2026-07-09T11:13:15,056 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-07-09T11:13:15,057 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-07-09T11:13:15,057 combination with a more fine grained `package-data` configuration. 2026-07-09T11:13:15,058 You can read more about "package data files" on setuptools documentation page: 2026-07-09T11:13:15,059 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-07-09T11:13:15,061 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-07-09T11:13:15,061 even if it does not contain any `.py` files. 2026-07-09T11:13:15,062 On the other hand, currently there is no concept of package data 2026-07-09T11:13:15,062 directory, all directories are treated like packages. 2026-07-09T11:13:15,063 ******************************************************************************** 2026-07-09T11:13:15,064 !! 2026-07-09T11:13:15,064 check.warn(importable) 2026-07-09T11:13:15,065 /tmp/pip-build-env-nf7r4sg9/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'chemprop.utils' is absent from the `packages` configuration. 2026-07-09T11:13:15,065 !! 2026-07-09T11:13:15,067 ******************************************************************************** 2026-07-09T11:13:15,067 ############################ 2026-07-09T11:13:15,068 # Package would be ignored # 2026-07-09T11:13:15,068 ############################ 2026-07-09T11:13:15,068 Python recognizes 'chemprop.utils' as an importable package[^1], 2026-07-09T11:13:15,069 but it is absent from setuptools' `packages` configuration. 2026-07-09T11:13:15,070 This leads to an ambiguous overall configuration. If you want to distribute this 2026-07-09T11:13:15,071 package, please make sure that 'chemprop.utils' is explicitly added 2026-07-09T11:13:15,071 to the `packages` configuration field. 2026-07-09T11:13:15,072 Alternatively, you can also rely on setuptools' discovery methods 2026-07-09T11:13:15,073 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-07-09T11:13:15,073 instead of `find_packages(...)`/`find:`). 2026-07-09T11:13:15,074 You can read more about "package discovery" on setuptools documentation page: 2026-07-09T11:13:15,075 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-07-09T11:13:15,076 If you don't want 'chemprop.utils' to be distributed and are 2026-07-09T11:13:15,077 already explicitly excluding 'chemprop.utils' via 2026-07-09T11:13:15,078 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-07-09T11:13:15,078 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-07-09T11:13:15,079 combination with a more fine grained `package-data` configuration. 2026-07-09T11:13:15,080 You can read more about "package data files" on setuptools documentation page: 2026-07-09T11:13:15,080 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-07-09T11:13:15,082 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-07-09T11:13:15,082 even if it does not contain any `.py` files. 2026-07-09T11:13:15,082 On the other hand, currently there is no concept of package data 2026-07-09T11:13:15,083 directory, all directories are treated like packages. 2026-07-09T11:13:15,083 ******************************************************************************** 2026-07-09T11:13:15,084 !! 2026-07-09T11:13:15,085 check.warn(importable) 2026-07-09T11:13:15,085 creating build/lib/chemprop/callbacks 2026-07-09T11:13:15,086 copying chemprop/callbacks/__init__.py -> build/lib/chemprop/callbacks 2026-07-09T11:13:15,086 copying chemprop/callbacks/interpret.py -> build/lib/chemprop/callbacks 2026-07-09T11:13:15,087 creating build/lib/chemprop/cli 2026-07-09T11:13:15,087 copying chemprop/cli/common.py -> build/lib/chemprop/cli 2026-07-09T11:13:15,088 copying chemprop/cli/conf.py -> build/lib/chemprop/cli 2026-07-09T11:13:15,088 copying chemprop/cli/convert.py -> build/lib/chemprop/cli 2026-07-09T11:13:15,089 copying chemprop/cli/fingerprint.py -> build/lib/chemprop/cli 2026-07-09T11:13:15,089 copying chemprop/cli/hpopt.py -> build/lib/chemprop/cli 2026-07-09T11:13:15,090 copying chemprop/cli/main.py -> build/lib/chemprop/cli 2026-07-09T11:13:15,090 copying chemprop/cli/predict.py -> build/lib/chemprop/cli 2026-07-09T11:13:15,091 copying chemprop/cli/train.py -> build/lib/chemprop/cli 2026-07-09T11:13:15,092 creating build/lib/chemprop/cli/utils 2026-07-09T11:13:15,092 copying chemprop/cli/utils/MAB_parsing.py -> build/lib/chemprop/cli/utils 2026-07-09T11:13:15,093 copying chemprop/cli/utils/__init__.py -> build/lib/chemprop/cli/utils 2026-07-09T11:13:15,093 copying chemprop/cli/utils/actions.py -> build/lib/chemprop/cli/utils 2026-07-09T11:13:15,094 copying chemprop/cli/utils/args.py -> build/lib/chemprop/cli/utils 2026-07-09T11:13:15,095 copying chemprop/cli/utils/command.py -> build/lib/chemprop/cli/utils 2026-07-09T11:13:15,095 copying chemprop/cli/utils/parsing.py -> build/lib/chemprop/cli/utils 2026-07-09T11:13:15,096 copying chemprop/cli/utils/utils.py -> build/lib/chemprop/cli/utils 2026-07-09T11:13:15,096 creating build/lib/chemprop/data 2026-07-09T11:13:15,097 copying chemprop/data/__init__.py -> build/lib/chemprop/data 2026-07-09T11:13:15,097 copying chemprop/data/collate.py -> build/lib/chemprop/data 2026-07-09T11:13:15,098 copying chemprop/data/dataloader.py -> build/lib/chemprop/data 2026-07-09T11:13:15,098 copying chemprop/data/datapoints.py -> build/lib/chemprop/data 2026-07-09T11:13:15,099 copying chemprop/data/datasets.py -> build/lib/chemprop/data 2026-07-09T11:13:15,100 copying chemprop/data/molgraph.py -> build/lib/chemprop/data 2026-07-09T11:13:15,100 copying chemprop/data/samplers.py -> build/lib/chemprop/data 2026-07-09T11:13:15,101 copying chemprop/data/splitting.py -> build/lib/chemprop/data 2026-07-09T11:13:15,101 creating build/lib/chemprop/featurizers 2026-07-09T11:13:15,102 copying chemprop/featurizers/__init__.py -> build/lib/chemprop/featurizers 2026-07-09T11:13:15,102 copying chemprop/featurizers/atom.py -> build/lib/chemprop/featurizers 2026-07-09T11:13:15,103 copying chemprop/featurizers/base.py -> build/lib/chemprop/featurizers 2026-07-09T11:13:15,104 copying chemprop/featurizers/bond.py -> build/lib/chemprop/featurizers 2026-07-09T11:13:15,104 copying chemprop/featurizers/molecule.py -> build/lib/chemprop/featurizers 2026-07-09T11:13:15,105 creating build/lib/chemprop/featurizers/molgraph 2026-07-09T11:13:15,106 copying chemprop/featurizers/molgraph/__init__.py -> build/lib/chemprop/featurizers/molgraph 2026-07-09T11:13:15,106 copying chemprop/featurizers/molgraph/cache.py -> build/lib/chemprop/featurizers/molgraph 2026-07-09T11:13:15,107 copying chemprop/featurizers/molgraph/mixins.py -> build/lib/chemprop/featurizers/molgraph 2026-07-09T11:13:15,107 copying chemprop/featurizers/molgraph/molecule.py -> build/lib/chemprop/featurizers/molgraph 2026-07-09T11:13:15,108 copying chemprop/featurizers/molgraph/reaction.py -> build/lib/chemprop/featurizers/molgraph 2026-07-09T11:13:15,108 creating build/lib/chemprop/models 2026-07-09T11:13:15,109 copying chemprop/models/__init__.py -> build/lib/chemprop/models 2026-07-09T11:13:15,109 copying chemprop/models/model.py -> build/lib/chemprop/models 2026-07-09T11:13:15,109 copying chemprop/models/mol_atom_bond.py -> build/lib/chemprop/models 2026-07-09T11:13:15,110 copying chemprop/models/multi.py -> build/lib/chemprop/models 2026-07-09T11:13:15,110 copying chemprop/models/utils.py -> build/lib/chemprop/models 2026-07-09T11:13:15,111 creating build/lib/chemprop/nn 2026-07-09T11:13:15,111 copying chemprop/nn/__init__.py -> build/lib/chemprop/nn 2026-07-09T11:13:15,112 copying chemprop/nn/agg.py -> build/lib/chemprop/nn 2026-07-09T11:13:15,112 copying chemprop/nn/ffn.py -> build/lib/chemprop/nn 2026-07-09T11:13:15,113 copying chemprop/nn/hparams.py -> build/lib/chemprop/nn 2026-07-09T11:13:15,113 copying chemprop/nn/metrics.py -> build/lib/chemprop/nn 2026-07-09T11:13:15,113 copying chemprop/nn/predictors.py -> build/lib/chemprop/nn 2026-07-09T11:13:15,114 copying chemprop/nn/transforms.py -> build/lib/chemprop/nn 2026-07-09T11:13:15,114 copying chemprop/nn/utils.py -> build/lib/chemprop/nn 2026-07-09T11:13:15,115 creating build/lib/chemprop/nn/message_passing 2026-07-09T11:13:15,115 copying chemprop/nn/message_passing/__init__.py -> build/lib/chemprop/nn/message_passing 2026-07-09T11:13:15,116 copying chemprop/nn/message_passing/base.py -> build/lib/chemprop/nn/message_passing 2026-07-09T11:13:15,117 copying chemprop/nn/message_passing/mixins.py -> build/lib/chemprop/nn/message_passing 2026-07-09T11:13:15,117 copying chemprop/nn/message_passing/mol_atom_bond.py -> build/lib/chemprop/nn/message_passing 2026-07-09T11:13:15,118 copying chemprop/nn/message_passing/multi.py -> build/lib/chemprop/nn/message_passing 2026-07-09T11:13:15,118 copying chemprop/nn/message_passing/proto.py -> build/lib/chemprop/nn/message_passing 2026-07-09T11:13:15,119 creating build/lib/chemprop/uncertainty 2026-07-09T11:13:15,120 copying chemprop/uncertainty/__init__.py -> build/lib/chemprop/uncertainty 2026-07-09T11:13:15,120 copying chemprop/uncertainty/calibrator.py -> build/lib/chemprop/uncertainty 2026-07-09T11:13:15,121 copying chemprop/uncertainty/estimator.py -> build/lib/chemprop/uncertainty 2026-07-09T11:13:15,121 copying chemprop/uncertainty/evaluator.py -> build/lib/chemprop/uncertainty 2026-07-09T11:13:15,122 creating build/lib/chemprop/utils 2026-07-09T11:13:15,122 copying chemprop/utils/__init__.py -> build/lib/chemprop/utils 2026-07-09T11:13:15,123 copying chemprop/utils/registry.py -> build/lib/chemprop/utils 2026-07-09T11:13:15,123 copying chemprop/utils/utils.py -> build/lib/chemprop/utils 2026-07-09T11:13:15,124 copying chemprop/utils/v1_to_v2.py -> build/lib/chemprop/utils 2026-07-09T11:13:15,124 copying chemprop/utils/v2_0_to_v2_1.py -> build/lib/chemprop/utils 2026-07-09T11:13:15,125 installing to build/bdist.linux-armv7l/wheel 2026-07-09T11:13:15,126 running install 2026-07-09T11:13:15,132 running install_lib 2026-07-09T11:13:15,140 creating build/bdist.linux-armv7l/wheel 2026-07-09T11:13:15,142 creating build/bdist.linux-armv7l/wheel/chemprop 2026-07-09T11:13:15,144 creating build/bdist.linux-armv7l/wheel/chemprop/utils 2026-07-09T11:13:15,145 copying build/lib/chemprop/utils/v2_0_to_v2_1.py -> build/bdist.linux-armv7l/wheel/./chemprop/utils 2026-07-09T11:13:15,147 copying build/lib/chemprop/utils/__init__.py -> build/bdist.linux-armv7l/wheel/./chemprop/utils 2026-07-09T11:13:15,149 copying build/lib/chemprop/utils/v1_to_v2.py -> build/bdist.linux-armv7l/wheel/./chemprop/utils 2026-07-09T11:13:15,152 copying build/lib/chemprop/utils/utils.py -> build/bdist.linux-armv7l/wheel/./chemprop/utils 2026-07-09T11:13:15,154 copying build/lib/chemprop/utils/registry.py -> build/bdist.linux-armv7l/wheel/./chemprop/utils 2026-07-09T11:13:15,156 creating build/bdist.linux-armv7l/wheel/chemprop/cli 2026-07-09T11:13:15,158 creating build/bdist.linux-armv7l/wheel/chemprop/cli/utils 2026-07-09T11:13:15,159 copying build/lib/chemprop/cli/utils/__init__.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli/utils 2026-07-09T11:13:15,161 copying build/lib/chemprop/cli/utils/command.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli/utils 2026-07-09T11:13:15,163 copying build/lib/chemprop/cli/utils/MAB_parsing.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli/utils 2026-07-09T11:13:15,166 copying build/lib/chemprop/cli/utils/args.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli/utils 2026-07-09T11:13:15,167 copying build/lib/chemprop/cli/utils/parsing.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli/utils 2026-07-09T11:13:15,171 copying build/lib/chemprop/cli/utils/utils.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli/utils 2026-07-09T11:13:15,173 copying build/lib/chemprop/cli/utils/actions.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli/utils 2026-07-09T11:13:15,174 copying build/lib/chemprop/cli/main.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli 2026-07-09T11:13:15,176 copying build/lib/chemprop/cli/train.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli 2026-07-09T11:13:15,180 copying build/lib/chemprop/cli/predict.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli 2026-07-09T11:13:15,183 copying build/lib/chemprop/cli/fingerprint.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli 2026-07-09T11:13:15,186 copying build/lib/chemprop/cli/convert.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli 2026-07-09T11:13:15,188 copying build/lib/chemprop/cli/hpopt.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli 2026-07-09T11:13:15,190 copying build/lib/chemprop/cli/common.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli 2026-07-09T11:13:15,193 copying build/lib/chemprop/cli/conf.py -> build/bdist.linux-armv7l/wheel/./chemprop/cli 2026-07-09T11:13:15,195 copying build/lib/chemprop/__init__.py -> build/bdist.linux-armv7l/wheel/./chemprop 2026-07-09T11:13:15,197 copying build/lib/chemprop/exceptions.py -> build/bdist.linux-armv7l/wheel/./chemprop 2026-07-09T11:13:15,200 creating build/bdist.linux-armv7l/wheel/chemprop/callbacks 2026-07-09T11:13:15,201 copying build/lib/chemprop/callbacks/interpret.py -> build/bdist.linux-armv7l/wheel/./chemprop/callbacks 2026-07-09T11:13:15,203 copying build/lib/chemprop/callbacks/__init__.py -> build/bdist.linux-armv7l/wheel/./chemprop/callbacks 2026-07-09T11:13:15,205 creating build/bdist.linux-armv7l/wheel/chemprop/models 2026-07-09T11:13:15,206 copying build/lib/chemprop/models/__init__.py -> build/bdist.linux-armv7l/wheel/./chemprop/models 2026-07-09T11:13:15,209 copying build/lib/chemprop/models/model.py -> build/bdist.linux-armv7l/wheel/./chemprop/models 2026-07-09T11:13:15,211 copying build/lib/chemprop/models/multi.py -> build/bdist.linux-armv7l/wheel/./chemprop/models 2026-07-09T11:13:15,213 copying build/lib/chemprop/models/utils.py -> build/bdist.linux-armv7l/wheel/./chemprop/models 2026-07-09T11:13:15,215 copying build/lib/chemprop/models/mol_atom_bond.py -> build/bdist.linux-armv7l/wheel/./chemprop/models 2026-07-09T11:13:15,219 creating build/bdist.linux-armv7l/wheel/chemprop/featurizers 2026-07-09T11:13:15,220 copying build/lib/chemprop/featurizers/molecule.py -> build/bdist.linux-armv7l/wheel/./chemprop/featurizers 2026-07-09T11:13:15,222 copying build/lib/chemprop/featurizers/base.py -> build/bdist.linux-armv7l/wheel/./chemprop/featurizers 2026-07-09T11:13:15,224 copying build/lib/chemprop/featurizers/__init__.py -> build/bdist.linux-armv7l/wheel/./chemprop/featurizers 2026-07-09T11:13:15,226 copying build/lib/chemprop/featurizers/atom.py -> build/bdist.linux-armv7l/wheel/./chemprop/featurizers 2026-07-09T11:13:15,228 copying build/lib/chemprop/featurizers/bond.py -> build/bdist.linux-armv7l/wheel/./chemprop/featurizers 2026-07-09T11:13:15,231 creating build/bdist.linux-armv7l/wheel/chemprop/featurizers/molgraph 2026-07-09T11:13:15,232 copying build/lib/chemprop/featurizers/molgraph/cache.py -> build/bdist.linux-armv7l/wheel/./chemprop/featurizers/molgraph 2026-07-09T11:13:15,234 copying build/lib/chemprop/featurizers/molgraph/molecule.py -> build/bdist.linux-armv7l/wheel/./chemprop/featurizers/molgraph 2026-07-09T11:13:15,236 copying build/lib/chemprop/featurizers/molgraph/__init__.py -> build/bdist.linux-armv7l/wheel/./chemprop/featurizers/molgraph 2026-07-09T11:13:15,238 copying build/lib/chemprop/featurizers/molgraph/reaction.py -> build/bdist.linux-armv7l/wheel/./chemprop/featurizers/molgraph 2026-07-09T11:13:15,240 copying build/lib/chemprop/featurizers/molgraph/mixins.py -> build/bdist.linux-armv7l/wheel/./chemprop/featurizers/molgraph 2026-07-09T11:13:15,243 creating build/bdist.linux-armv7l/wheel/chemprop/uncertainty 2026-07-09T11:13:15,244 copying build/lib/chemprop/uncertainty/estimator.py -> build/bdist.linux-armv7l/wheel/./chemprop/uncertainty 2026-07-09T11:13:15,246 copying build/lib/chemprop/uncertainty/__init__.py -> build/bdist.linux-armv7l/wheel/./chemprop/uncertainty 2026-07-09T11:13:15,248 copying build/lib/chemprop/uncertainty/calibrator.py -> build/bdist.linux-armv7l/wheel/./chemprop/uncertainty 2026-07-09T11:13:15,251 copying build/lib/chemprop/uncertainty/evaluator.py -> build/bdist.linux-armv7l/wheel/./chemprop/uncertainty 2026-07-09T11:13:15,254 copying build/lib/chemprop/types.py -> build/bdist.linux-armv7l/wheel/./chemprop 2026-07-09T11:13:15,256 creating build/bdist.linux-armv7l/wheel/chemprop/data 2026-07-09T11:13:15,257 copying build/lib/chemprop/data/splitting.py -> build/bdist.linux-armv7l/wheel/./chemprop/data 2026-07-09T11:13:15,260 copying build/lib/chemprop/data/collate.py -> build/bdist.linux-armv7l/wheel/./chemprop/data 2026-07-09T11:13:15,262 copying build/lib/chemprop/data/__init__.py -> build/bdist.linux-armv7l/wheel/./chemprop/data 2026-07-09T11:13:15,264 copying build/lib/chemprop/data/datasets.py -> build/bdist.linux-armv7l/wheel/./chemprop/data 2026-07-09T11:13:15,267 copying build/lib/chemprop/data/datapoints.py -> build/bdist.linux-armv7l/wheel/./chemprop/data 2026-07-09T11:13:15,269 copying build/lib/chemprop/data/dataloader.py -> build/bdist.linux-armv7l/wheel/./chemprop/data 2026-07-09T11:13:15,271 copying build/lib/chemprop/data/samplers.py -> build/bdist.linux-armv7l/wheel/./chemprop/data 2026-07-09T11:13:15,273 copying build/lib/chemprop/data/molgraph.py -> build/bdist.linux-armv7l/wheel/./chemprop/data 2026-07-09T11:13:15,275 copying build/lib/chemprop/schedulers.py -> build/bdist.linux-armv7l/wheel/./chemprop 2026-07-09T11:13:15,278 creating build/bdist.linux-armv7l/wheel/chemprop/nn 2026-07-09T11:13:15,279 copying build/lib/chemprop/nn/predictors.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn 2026-07-09T11:13:15,281 copying build/lib/chemprop/nn/transforms.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn 2026-07-09T11:13:15,283 copying build/lib/chemprop/nn/hparams.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn 2026-07-09T11:13:15,285 copying build/lib/chemprop/nn/ffn.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn 2026-07-09T11:13:15,288 copying build/lib/chemprop/nn/__init__.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn 2026-07-09T11:13:15,290 copying build/lib/chemprop/nn/utils.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn 2026-07-09T11:13:15,292 copying build/lib/chemprop/nn/metrics.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn 2026-07-09T11:13:15,296 creating build/bdist.linux-armv7l/wheel/chemprop/nn/message_passing 2026-07-09T11:13:15,297 copying build/lib/chemprop/nn/message_passing/base.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn/message_passing 2026-07-09T11:13:15,300 copying build/lib/chemprop/nn/message_passing/__init__.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn/message_passing 2026-07-09T11:13:15,301 copying build/lib/chemprop/nn/message_passing/multi.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn/message_passing 2026-07-09T11:13:15,303 copying build/lib/chemprop/nn/message_passing/mixins.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn/message_passing 2026-07-09T11:13:15,305 copying build/lib/chemprop/nn/message_passing/proto.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn/message_passing 2026-07-09T11:13:15,307 copying build/lib/chemprop/nn/message_passing/mol_atom_bond.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn/message_passing 2026-07-09T11:13:15,310 copying build/lib/chemprop/nn/agg.py -> build/bdist.linux-armv7l/wheel/./chemprop/nn 2026-07-09T11:13:15,312 copying build/lib/chemprop/conf.py -> build/bdist.linux-armv7l/wheel/./chemprop 2026-07-09T11:13:15,313 running install_egg_info 2026-07-09T11:13:15,322 Copying chemprop.egg-info to build/bdist.linux-armv7l/wheel/./chemprop-2.3.0rc1-py3.11.egg-info 2026-07-09T11:13:15,336 running install_scripts 2026-07-09T11:13:15,349 creating build/bdist.linux-armv7l/wheel/chemprop-2.3.0rc1.dist-info/WHEEL 2026-07-09T11:13:15,352 creating '/tmp/pip-wheel-_sbbefpf/.tmp-ayrzmxzv/chemprop-2.3.0rc1-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-07-09T11:13:15,354 adding 'chemprop/__init__.py' 2026-07-09T11:13:15,356 adding 'chemprop/conf.py' 2026-07-09T11:13:15,357 adding 'chemprop/exceptions.py' 2026-07-09T11:13:15,358 adding 'chemprop/schedulers.py' 2026-07-09T11:13:15,360 adding 'chemprop/types.py' 2026-07-09T11:13:15,361 adding 'chemprop/callbacks/__init__.py' 2026-07-09T11:13:15,363 adding 'chemprop/callbacks/interpret.py' 2026-07-09T11:13:15,366 adding 'chemprop/cli/common.py' 2026-07-09T11:13:15,367 adding 'chemprop/cli/conf.py' 2026-07-09T11:13:15,369 adding 'chemprop/cli/convert.py' 2026-07-09T11:13:15,371 adding 'chemprop/cli/fingerprint.py' 2026-07-09T11:13:15,374 adding 'chemprop/cli/hpopt.py' 2026-07-09T11:13:15,375 adding 'chemprop/cli/main.py' 2026-07-09T11:13:15,380 adding 'chemprop/cli/predict.py' 2026-07-09T11:13:15,390 adding 'chemprop/cli/train.py' 2026-07-09T11:13:15,393 adding 'chemprop/cli/utils/MAB_parsing.py' 2026-07-09T11:13:15,394 adding 'chemprop/cli/utils/__init__.py' 2026-07-09T11:13:15,395 adding 'chemprop/cli/utils/actions.py' 2026-07-09T11:13:15,397 adding 'chemprop/cli/utils/args.py' 2026-07-09T11:13:15,398 adding 'chemprop/cli/utils/command.py' 2026-07-09T11:13:15,401 adding 'chemprop/cli/utils/parsing.py' 2026-07-09T11:13:15,402 adding 'chemprop/cli/utils/utils.py' 2026-07-09T11:13:15,404 adding 'chemprop/data/__init__.py' 2026-07-09T11:13:15,406 adding 'chemprop/data/collate.py' 2026-07-09T11:13:15,407 adding 'chemprop/data/dataloader.py' 2026-07-09T11:13:15,409 adding 'chemprop/data/datapoints.py' 2026-07-09T11:13:15,412 adding 'chemprop/data/datasets.py' 2026-07-09T11:13:15,414 adding 'chemprop/data/molgraph.py' 2026-07-09T11:13:15,415 adding 'chemprop/data/samplers.py' 2026-07-09T11:13:15,417 adding 'chemprop/data/splitting.py' 2026-07-09T11:13:15,419 adding 'chemprop/featurizers/__init__.py' 2026-07-09T11:13:15,421 adding 'chemprop/featurizers/atom.py' 2026-07-09T11:13:15,423 adding 'chemprop/featurizers/base.py' 2026-07-09T11:13:15,424 adding 'chemprop/featurizers/bond.py' 2026-07-09T11:13:15,426 adding 'chemprop/featurizers/molecule.py' 2026-07-09T11:13:15,428 adding 'chemprop/featurizers/molgraph/__init__.py' 2026-07-09T11:13:15,429 adding 'chemprop/featurizers/molgraph/cache.py' 2026-07-09T11:13:15,430 adding 'chemprop/featurizers/molgraph/mixins.py' 2026-07-09T11:13:15,432 adding 'chemprop/featurizers/molgraph/molecule.py' 2026-07-09T11:13:15,434 adding 'chemprop/featurizers/molgraph/reaction.py' 2026-07-09T11:13:15,436 adding 'chemprop/models/__init__.py' 2026-07-09T11:13:15,439 adding 'chemprop/models/model.py' 2026-07-09T11:13:15,441 adding 'chemprop/models/mol_atom_bond.py' 2026-07-09T11:13:15,443 adding 'chemprop/models/multi.py' 2026-07-09T11:13:15,444 adding 'chemprop/models/utils.py' 2026-07-09T11:13:15,446 adding 'chemprop/nn/__init__.py' 2026-07-09T11:13:15,447 adding 'chemprop/nn/agg.py' 2026-07-09T11:13:15,449 adding 'chemprop/nn/ffn.py' 2026-07-09T11:13:15,450 adding 'chemprop/nn/hparams.py' 2026-07-09T11:13:15,453 adding 'chemprop/nn/metrics.py' 2026-07-09T11:13:15,455 adding 'chemprop/nn/predictors.py' 2026-07-09T11:13:15,457 adding 'chemprop/nn/transforms.py' 2026-07-09T11:13:15,458 adding 'chemprop/nn/utils.py' 2026-07-09T11:13:15,459 adding 'chemprop/nn/message_passing/__init__.py' 2026-07-09T11:13:15,461 adding 'chemprop/nn/message_passing/base.py' 2026-07-09T11:13:15,462 adding 'chemprop/nn/message_passing/mixins.py' 2026-07-09T11:13:15,465 adding 'chemprop/nn/message_passing/mol_atom_bond.py' 2026-07-09T11:13:15,466 adding 'chemprop/nn/message_passing/multi.py' 2026-07-09T11:13:15,467 adding 'chemprop/nn/message_passing/proto.py' 2026-07-09T11:13:15,469 adding 'chemprop/uncertainty/__init__.py' 2026-07-09T11:13:15,472 adding 'chemprop/uncertainty/calibrator.py' 2026-07-09T11:13:15,475 adding 'chemprop/uncertainty/estimator.py' 2026-07-09T11:13:15,478 adding 'chemprop/uncertainty/evaluator.py' 2026-07-09T11:13:15,479 adding 'chemprop/utils/__init__.py' 2026-07-09T11:13:15,481 adding 'chemprop/utils/registry.py' 2026-07-09T11:13:15,482 adding 'chemprop/utils/utils.py' 2026-07-09T11:13:15,484 adding 'chemprop/utils/v1_to_v2.py' 2026-07-09T11:13:15,485 adding 'chemprop/utils/v2_0_to_v2_1.py' 2026-07-09T11:13:15,488 adding 'chemprop-2.3.0rc1.dist-info/licenses/LICENSE.txt' 2026-07-09T11:13:15,490 adding 'chemprop-2.3.0rc1.dist-info/METADATA' 2026-07-09T11:13:15,491 adding 'chemprop-2.3.0rc1.dist-info/WHEEL' 2026-07-09T11:13:15,492 adding 'chemprop-2.3.0rc1.dist-info/entry_points.txt' 2026-07-09T11:13:15,493 adding 'chemprop-2.3.0rc1.dist-info/top_level.txt' 2026-07-09T11:13:15,494 adding 'chemprop-2.3.0rc1.dist-info/RECORD' 2026-07-09T11:13:15,498 removing build/bdist.linux-armv7l/wheel 2026-07-09T11:13:15,626 Building wheel for chemprop (pyproject.toml): finished with status 'done' 2026-07-09T11:13:15,634 Created wheel for chemprop: filename=chemprop-2.3.0rc1-py3-none-any.whl size=151868 sha256=c0ce16ea35ee8f201752c0074bed75b4575606486eaf2d5b6993afd2fdd25f7c 2026-07-09T11:13:15,635 Stored in directory: /tmp/pip-ephem-wheel-cache-ri0slqlc/wheels/28/63/0f/8b9d2cf07e660a2120fefe50f5707f4d5f88e4831cd3b32a6c 2026-07-09T11:13:15,650 Successfully built chemprop 2026-07-09T11:13:15,659 Removed build tracker: '/tmp/pip-build-tracker-tece6f0p'