2026-09-09T15:23:16,692 Created temporary directory: /tmp/pip-ephem-wheel-cache-knyu0evd 2026-09-09T15:23:16,694 Created temporary directory: /tmp/pip-build-tracker-qw3nsrxt 2026-09-09T15:23:16,694 Initialized build tracking at /tmp/pip-build-tracker-qw3nsrxt 2026-09-09T15:23:16,695 Created build tracker: /tmp/pip-build-tracker-qw3nsrxt 2026-09-09T15:23:16,695 Entered build tracker: /tmp/pip-build-tracker-qw3nsrxt 2026-09-09T15:23:16,696 Created temporary directory: /tmp/pip-wheel-0npeqrg3 2026-09-09T15:23:16,698 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 2026-09-09T15:23:16,701 Created temporary directory: /tmp/pip-ephem-wheel-cache-l3gv394z 2026-09-09T15:23:16,723 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-09-09T15:23:16,726 2 location(s) to search for versions of datamol: 2026-09-09T15:23:16,726 * https://pypi.org/simple/datamol/ 2026-09-09T15:23:16,726 * https://www.piwheels.org/simple/datamol/ 2026-09-09T15:23:16,727 Fetching project page and analyzing links: https://pypi.org/simple/datamol/ 2026-09-09T15:23:16,728 Getting page https://pypi.org/simple/datamol/ 2026-09-09T15:23:16,729 Found index url https://pypi.org/simple 2026-09-09T15:23:16,968 Fetched page https://pypi.org/simple/datamol/ as application/vnd.pypi.simple.v1+json 2026-09-09T15:23:16,988 Found link https://files.pythonhosted.org/packages/a2/fa/673781040775b21feefb9ab77355e36804a110651779a9ff6e019e1c9cd3/datamol-0.3.1.tar.gz (from 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https://archive1.piwheels.org/simple/datamol/datamol-0.4.7-py3-none-any.whl#sha256=fff99c187600b125805e79dad97906ff0ae86b46239c8aa614ca54ba592c1721 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,338 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.4.6-py3-none-any.whl#sha256=7f0b300adc559a5f5c47873fbdde8a3a2c6f1ae69df2decc96a358d98e122985 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,338 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.4.5-py3-none-any.whl#sha256=eeb6891e1e8f4f8bac2a3fbad2466458b53a891a4b24702dc415ec41e666bca0 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,339 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.4.4-py3-none-any.whl#sha256=3c5cb65c9bf033c5de74470d25fac52d12d659b1c55a7fd2ef91ed484b220695 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,339 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.4.3-py3-none-any.whl#sha256=cefa5d119e0ecea9f9fb10ae1e62f29b3dc3c5b5f4059c9d00d44991713cd6d7 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,340 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.4.2-py3-none-any.whl#sha256=993d4b6e01d18f237231d170fdbdc432d1648ea8aac01736000337a4eb02da66 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,340 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.4.1-py3-none-any.whl#sha256=12fb0f4e2b1c17cdf20d9db067efeded47a00e3b90964bc4a16dd97ac7575256 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,341 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.4.0-py3-none-any.whl#sha256=a3fc7a846347668d4f092535bf5007a723e0e510b015aa2564cee3497e26518c (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,341 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.3.9-py3-none-any.whl#sha256=0c0548cd5b7648bfbf032cd82c1345d1afca1748c9eb4050c56dce373ad4bde1 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,342 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.3.8-py3-none-any.whl#sha256=a1559228affc6288819e8a2c18c92da3a0fa4291be9b921ca68f6167680f28e1 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,342 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.3.7-py3-none-any.whl#sha256=94d0b1100bb228e8f9fdff411889dfae0363fb4a6d6e7100d97a8a74b1182453 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,343 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.3.6-py3-none-any.whl#sha256=11713dd70f937aa6af3a81236bccce27d05d20ea37865799a753f9bc2620cd3f (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,343 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.3.5-py3-none-any.whl#sha256=4fddb25d74a8bf3915b754272f6bff39f39f2af77d843190b06897ba57f4ba3c (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,344 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.3.4-py3-none-any.whl#sha256=bece28201f9ed416f68cd00ac905b721d7d0162c6e42b03b7d00acab9b0a5ff5 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,345 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.3.3-py3-none-any.whl#sha256=8299055c5bcaa45eec865c7431187d80fd3181ed7718f94b5e0c3c259a9dfcf0 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,345 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.3.2-py3-none-any.whl#sha256=7332d09bda2b261eab6164f5ea0f693048886b233ae351c0e5da955d91f98e85 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,346 Skipping link: No binaries permitted for datamol: https://archive1.piwheels.org/simple/datamol/datamol-0.3.1-py3-none-any.whl#sha256=2849063742e4d599aa8a45b7e9d46a7b6ba5ce891e8f1c8952a2f530951cee97 (from https://www.piwheels.org/simple/datamol/) (requires-python:>=3.7) 2026-09-09T15:23:17,346 Skipping link: not a file: https://www.piwheels.org/simple/datamol/ 2026-09-09T15:23:17,347 Skipping link: not a file: https://pypi.org/simple/datamol/ 2026-09-09T15:23:17,376 Given no hashes to check 1 links for project 'datamol': discarding no candidates 2026-09-09T15:23:17,395 Collecting datamol==0.13.0 2026-09-09T15:23:17,398 Created temporary directory: /tmp/pip-unpack-q0i852kg 2026-09-09T15:23:17,555 Downloading datamol-0.13.0.tar.gz (3.9 MB) 2026-09-09T15:23:18,592 Added datamol==0.13.0 from https://files.pythonhosted.org/packages/2c/e1/68636e590674a437aa975d59f465bafe0f06c0e890f70daa8c2fb71409d3/datamol-0.13.0.tar.gz to build tracker '/tmp/pip-build-tracker-qw3nsrxt' 2026-09-09T15:23:18,600 Created temporary directory: /tmp/pip-build-env-af0rmk_t 2026-09-09T15:23:18,604 Installing build dependencies: started 2026-09-09T15:23:18,606 Running command pip subprocess to install build dependencies 2026-09-09T15:23:19,779 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2026-09-09T15:23:20,238 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 2026-09-09T15:23:20,260 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-09-09T15:23:22,080 Collecting setuptools>=77 2026-09-09T15:23:22,081 Obtaining dependency information for setuptools>=77 from https://www.piwheels.org/simple/setuptools/setuptools-84.0.0-py3-none-any.whl.metadata 2026-09-09T15:23:22,097 Using cached https://www.piwheels.org/simple/setuptools/setuptools-84.0.0-py3-none-any.whl.metadata (6.6 kB) 2026-09-09T15:23:22,467 Collecting setuptools-scm>=8 2026-09-09T15:23:22,468 Obtaining dependency information for setuptools-scm>=8 from https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.3-py3-none-any.whl.metadata 2026-09-09T15:23:22,483 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.3-py3-none-any.whl.metadata (6.7 kB) 2026-09-09T15:23:22,790 Collecting vcs-versioning<3,>=2.3.2.dev0 2026-09-09T15:23:22,791 Obtaining dependency information for vcs-versioning<3,>=2.3.2.dev0 from https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.3.4-py3-none-any.whl.metadata 2026-09-09T15:23:22,805 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.3.4-py3-none-any.whl.metadata (1.7 kB) 2026-09-09T15:23:22,993 Collecting packaging>=20 2026-09-09T15:23:22,994 Obtaining dependency information for packaging>=20 from https://www.piwheels.org/simple/packaging/packaging-26.3-py3-none-any.whl.metadata 2026-09-09T15:23:23,007 Using cached https://www.piwheels.org/simple/packaging/packaging-26.3-py3-none-any.whl.metadata (3.6 kB) 2026-09-09T15:23:23,241 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.3-py3-none-any.whl (29 kB) 2026-09-09T15:23:23,263 Using cached https://www.piwheels.org/simple/packaging/packaging-26.3-py3-none-any.whl (129 kB) 2026-09-09T15:23:23,288 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.3.4-py3-none-any.whl (115 kB) 2026-09-09T15:23:23,366 Using cached https://www.piwheels.org/simple/setuptools/setuptools-84.0.0-py3-none-any.whl (818 kB) 2026-09-09T15:23:23,402 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.3-py3-none-any.whl (29 kB) 2026-09-09T15:23:23,433 Using cached https://www.piwheels.org/simple/packaging/packaging-26.3-py3-none-any.whl (129 kB) 2026-09-09T15:23:23,465 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.3.4-py3-none-any.whl (115 kB) 2026-09-09T15:23:23,561 Using cached https://www.piwheels.org/simple/setuptools/setuptools-84.0.0-py3-none-any.whl (818 kB) 2026-09-09T15:23:26,355 Installing collected packages: setuptools, packaging, vcs-versioning, setuptools-scm 2026-09-09T15:23:29,278 Creating /tmp/pip-build-env-af0rmk_t/overlay/local/bin 2026-09-09T15:23:29,280 changing mode of /tmp/pip-build-env-af0rmk_t/overlay/local/bin/vcs-versioning to 755 2026-09-09T15:23:29,413 changing mode of /tmp/pip-build-env-af0rmk_t/overlay/local/bin/setuptools-scm to 755 2026-09-09T15:23:29,442 Successfully installed packaging-26.3 setuptools-84.0.0 setuptools-scm-10.2.3 vcs-versioning-2.3.4 2026-09-09T15:23:29,754 Installing build dependencies: finished with status 'done' 2026-09-09T15:23:29,763 Getting requirements to build wheel: started 2026-09-09T15:23:29,764 Running command Getting requirements to build wheel 2026-09-09T15:23:30,661 running egg_info 2026-09-09T15:23:30,673 writing datamol.egg-info/PKG-INFO 2026-09-09T15:23:30,682 writing dependency_links to datamol.egg-info/dependency_links.txt 2026-09-09T15:23:30,688 writing requirements to datamol.egg-info/requires.txt 2026-09-09T15:23:30,689 writing top-level names to datamol.egg-info/top_level.txt 2026-09-09T15:23:30,721 adding license file 'LICENSE' 2026-09-09T15:23:30,730 writing manifest file 'datamol.egg-info/SOURCES.txt' 2026-09-09T15:23:30,838 Getting requirements to build wheel: finished with status 'done' 2026-09-09T15:23:30,841 Created temporary directory: /tmp/pip-modern-metadata-v9_nj6ap 2026-09-09T15:23:30,844 Preparing metadata (pyproject.toml): started 2026-09-09T15:23:30,845 Running command Preparing metadata (pyproject.toml) 2026-09-09T15:23:31,636 running dist_info 2026-09-09T15:23:31,637 creating /tmp/pip-modern-metadata-v9_nj6ap/datamol.egg-info 2026-09-09T15:23:31,648 writing /tmp/pip-modern-metadata-v9_nj6ap/datamol.egg-info/PKG-INFO 2026-09-09T15:23:31,657 writing dependency_links to /tmp/pip-modern-metadata-v9_nj6ap/datamol.egg-info/dependency_links.txt 2026-09-09T15:23:31,663 writing requirements to /tmp/pip-modern-metadata-v9_nj6ap/datamol.egg-info/requires.txt 2026-09-09T15:23:31,664 writing top-level names to /tmp/pip-modern-metadata-v9_nj6ap/datamol.egg-info/top_level.txt 2026-09-09T15:23:31,666 writing manifest file '/tmp/pip-modern-metadata-v9_nj6ap/datamol.egg-info/SOURCES.txt' 2026-09-09T15:23:31,693 adding license file 'LICENSE' 2026-09-09T15:23:31,701 writing manifest file '/tmp/pip-modern-metadata-v9_nj6ap/datamol.egg-info/SOURCES.txt' 2026-09-09T15:23:31,703 creating '/tmp/pip-modern-metadata-v9_nj6ap/datamol-0.13.0.dist-info' 2026-09-09T15:23:31,848 Preparing metadata (pyproject.toml): finished with status 'done' 2026-09-09T15:23:31,854 Source in /tmp/pip-wheel-0npeqrg3/datamol_fc78d2b7ada64a99a12a4c98f86e819b has version 0.13.0, which satisfies requirement datamol==0.13.0 from https://files.pythonhosted.org/packages/2c/e1/68636e590674a437aa975d59f465bafe0f06c0e890f70daa8c2fb71409d3/datamol-0.13.0.tar.gz 2026-09-09T15:23:31,855 Removed datamol==0.13.0 from https://files.pythonhosted.org/packages/2c/e1/68636e590674a437aa975d59f465bafe0f06c0e890f70daa8c2fb71409d3/datamol-0.13.0.tar.gz from build tracker '/tmp/pip-build-tracker-qw3nsrxt' 2026-09-09T15:23:31,862 Created temporary directory: /tmp/pip-unpack-kszgde0r 2026-09-09T15:23:31,863 Building wheels for collected packages: datamol 2026-09-09T15:23:31,866 Created temporary directory: /tmp/pip-wheel-dn3j0c8t 2026-09-09T15:23:31,867 Destination directory: /tmp/pip-wheel-dn3j0c8t 2026-09-09T15:23:31,869 Building wheel for datamol (pyproject.toml): started 2026-09-09T15:23:31,870 Running command Building wheel for datamol (pyproject.toml) 2026-09-09T15:23:32,634 running bdist_wheel 2026-09-09T15:23:32,659 running build 2026-09-09T15:23:32,660 running build_py 2026-09-09T15:23:32,662 creating build/lib/datamol 2026-09-09T15:23:32,664 copying datamol/log.py -> build/lib/datamol 2026-09-09T15:23:32,666 copying datamol/cluster.py -> build/lib/datamol 2026-09-09T15:23:32,669 copying datamol/convert.py -> build/lib/datamol 2026-09-09T15:23:32,671 copying datamol/types.py -> build/lib/datamol 2026-09-09T15:23:32,673 copying datamol/_version.py -> build/lib/datamol 2026-09-09T15:23:32,675 copying datamol/io.py -> build/lib/datamol 2026-09-09T15:23:32,677 copying datamol/mol.py -> build/lib/datamol 2026-09-09T15:23:32,681 copying datamol/mcs.py -> build/lib/datamol 2026-09-09T15:23:32,683 copying datamol/_sanifix4.py -> build/lib/datamol 2026-09-09T15:23:32,685 copying datamol/similarity.py -> build/lib/datamol 2026-09-09T15:23:32,686 copying datamol/__init__.py -> build/lib/datamol 2026-09-09T15:23:32,689 copying datamol/align.py -> build/lib/datamol 2026-09-09T15:23:32,691 copying datamol/molar.py -> build/lib/datamol 2026-09-09T15:23:32,693 copying datamol/graph.py -> build/lib/datamol 2026-09-09T15:23:32,695 copying datamol/fp.py -> build/lib/datamol 2026-09-09T15:23:32,698 creating build/lib/datamol/utils 2026-09-09T15:23:32,699 copying datamol/utils/perf.py -> build/lib/datamol/utils 2026-09-09T15:23:32,701 copying datamol/utils/testing.py -> build/lib/datamol/utils 2026-09-09T15:23:32,703 copying datamol/utils/decorators.py -> build/lib/datamol/utils 2026-09-09T15:23:32,705 copying datamol/utils/fs.py -> build/lib/datamol/utils 2026-09-09T15:23:32,707 copying datamol/utils/__init__.py -> build/lib/datamol/utils 2026-09-09T15:23:32,709 copying datamol/utils/jobs.py -> build/lib/datamol/utils 2026-09-09T15:23:32,712 creating build/lib/datamol/fragment 2026-09-09T15:23:32,713 copying datamol/fragment/_assemble.py -> build/lib/datamol/fragment 2026-09-09T15:23:32,715 copying datamol/fragment/__init__.py -> build/lib/datamol/fragment 2026-09-09T15:23:32,717 copying datamol/fragment/_fragment.py -> build/lib/datamol/fragment 2026-09-09T15:23:32,720 creating build/lib/datamol/viz 2026-09-09T15:23:32,721 copying datamol/viz/_viz.py -> build/lib/datamol/viz 2026-09-09T15:23:32,723 copying datamol/viz/_substructure.py -> build/lib/datamol/viz 2026-09-09T15:23:32,725 copying datamol/viz/__init__.py -> build/lib/datamol/viz 2026-09-09T15:23:32,727 copying datamol/viz/utils.py -> build/lib/datamol/viz 2026-09-09T15:23:32,729 copying datamol/viz/_lasso_highlight.py -> build/lib/datamol/viz 2026-09-09T15:23:32,731 copying datamol/viz/_conformers.py -> build/lib/datamol/viz 2026-09-09T15:23:32,733 copying datamol/viz/_circle_grid.py -> build/lib/datamol/viz 2026-09-09T15:23:32,736 creating build/lib/datamol/conformers 2026-09-09T15:23:32,738 copying datamol/conformers/__init__.py -> build/lib/datamol/conformers 2026-09-09T15:23:32,739 copying datamol/conformers/_conformers.py -> build/lib/datamol/conformers 2026-09-09T15:23:32,742 copying datamol/conformers/_features.py -> build/lib/datamol/conformers 2026-09-09T15:23:32,745 creating build/lib/datamol/descriptors 2026-09-09T15:23:32,746 copying datamol/descriptors/__init__.py -> build/lib/datamol/descriptors 2026-09-09T15:23:32,748 copying datamol/descriptors/compute.py -> build/lib/datamol/descriptors 2026-09-09T15:23:32,750 copying datamol/descriptors/descriptors.py -> build/lib/datamol/descriptors 2026-09-09T15:23:32,753 creating build/lib/datamol/scaffold 2026-09-09T15:23:32,754 copying datamol/scaffold/_fuzzy.py -> build/lib/datamol/scaffold 2026-09-09T15:23:32,756 copying datamol/scaffold/__init__.py -> build/lib/datamol/scaffold 2026-09-09T15:23:32,758 creating build/lib/datamol/isomers 2026-09-09T15:23:32,759 copying datamol/isomers/_structural.py -> build/lib/datamol/isomers 2026-09-09T15:23:32,762 copying datamol/isomers/__init__.py -> build/lib/datamol/isomers 2026-09-09T15:23:32,763 copying datamol/isomers/_enumerate.py -> build/lib/datamol/isomers 2026-09-09T15:23:32,766 creating build/lib/datamol/data 2026-09-09T15:23:32,767 copying datamol/data/__init__.py -> build/lib/datamol/data 2026-09-09T15:23:32,770 creating build/lib/datamol/predictors 2026-09-09T15:23:32,771 copying datamol/predictors/__init__.py -> build/lib/datamol/predictors 2026-09-09T15:23:32,772 copying datamol/predictors/esol.py -> build/lib/datamol/predictors 2026-09-09T15:23:32,775 creating build/lib/datamol/reactions 2026-09-09T15:23:32,776 copying datamol/reactions/_reactions.py -> build/lib/datamol/reactions 2026-09-09T15:23:32,778 copying datamol/reactions/__init__.py -> build/lib/datamol/reactions 2026-09-09T15:23:32,780 copying datamol/reactions/_attachments.py -> build/lib/datamol/reactions 2026-09-09T15:23:32,781 running egg_info 2026-09-09T15:23:32,792 writing datamol.egg-info/PKG-INFO 2026-09-09T15:23:32,803 writing dependency_links to datamol.egg-info/dependency_links.txt 2026-09-09T15:23:32,809 writing requirements to datamol.egg-info/requires.txt 2026-09-09T15:23:32,810 writing top-level names to datamol.egg-info/top_level.txt 2026-09-09T15:23:32,830 adding license file 'LICENSE' 2026-09-09T15:23:32,838 writing manifest file 'datamol.egg-info/SOURCES.txt' 2026-09-09T15:23:32,848 copying datamol/data/cdk2.sdf -> build/lib/datamol/data 2026-09-09T15:23:32,855 copying datamol/data/chembl_approved_drugs.parquet -> build/lib/datamol/data 2026-09-09T15:23:32,862 copying datamol/data/chembl_drugs.csv -> build/lib/datamol/data 2026-09-09T15:23:32,867 copying datamol/data/chembl_samples.csv -> build/lib/datamol/data 2026-09-09T15:23:32,871 copying datamol/data/freesolv.csv -> build/lib/datamol/data 2026-09-09T15:23:32,875 copying datamol/data/reactions.json -> build/lib/datamol/data 2026-09-09T15:23:32,881 copying datamol/data/salts_solvents.smi -> build/lib/datamol/data 2026-09-09T15:23:32,883 copying datamol/data/solubility.test.sdf -> build/lib/datamol/data 2026-09-09T15:23:32,889 copying datamol/data/solubility.train.sdf -> build/lib/datamol/data 2026-09-09T15:23:32,938 installing to build/bdist.linux-armv7l/wheel 2026-09-09T15:23:32,939 running install 2026-09-09T15:23:32,962 running install_lib 2026-09-09T15:23:32,969 creating build/bdist.linux-armv7l/wheel 2026-09-09T15:23:32,971 creating build/bdist.linux-armv7l/wheel/datamol 2026-09-09T15:23:32,973 creating build/bdist.linux-armv7l/wheel/datamol/utils 2026-09-09T15:23:32,974 copying build/lib/datamol/utils/perf.py -> build/bdist.linux-armv7l/wheel/./datamol/utils 2026-09-09T15:23:32,976 copying build/lib/datamol/utils/testing.py -> build/bdist.linux-armv7l/wheel/./datamol/utils 2026-09-09T15:23:32,978 copying build/lib/datamol/utils/decorators.py -> build/bdist.linux-armv7l/wheel/./datamol/utils 2026-09-09T15:23:32,980 copying build/lib/datamol/utils/fs.py -> build/bdist.linux-armv7l/wheel/./datamol/utils 2026-09-09T15:23:32,982 copying build/lib/datamol/utils/__init__.py -> build/bdist.linux-armv7l/wheel/./datamol/utils 2026-09-09T15:23:32,984 copying build/lib/datamol/utils/jobs.py -> build/bdist.linux-armv7l/wheel/./datamol/utils 2026-09-09T15:23:32,986 copying build/lib/datamol/log.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:32,988 copying build/lib/datamol/cluster.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:32,991 copying build/lib/datamol/convert.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:32,994 creating build/bdist.linux-armv7l/wheel/datamol/fragment 2026-09-09T15:23:32,995 copying build/lib/datamol/fragment/_assemble.py -> build/bdist.linux-armv7l/wheel/./datamol/fragment 2026-09-09T15:23:32,997 copying build/lib/datamol/fragment/__init__.py -> build/bdist.linux-armv7l/wheel/./datamol/fragment 2026-09-09T15:23:32,999 copying build/lib/datamol/fragment/_fragment.py -> build/bdist.linux-armv7l/wheel/./datamol/fragment 2026-09-09T15:23:33,001 copying build/lib/datamol/types.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:33,002 copying build/lib/datamol/_version.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:33,004 creating build/bdist.linux-armv7l/wheel/datamol/viz 2026-09-09T15:23:33,005 copying build/lib/datamol/viz/_viz.py -> build/bdist.linux-armv7l/wheel/./datamol/viz 2026-09-09T15:23:33,007 copying build/lib/datamol/viz/_substructure.py -> build/bdist.linux-armv7l/wheel/./datamol/viz 2026-09-09T15:23:33,009 copying build/lib/datamol/viz/__init__.py -> build/bdist.linux-armv7l/wheel/./datamol/viz 2026-09-09T15:23:33,011 copying build/lib/datamol/viz/utils.py -> build/bdist.linux-armv7l/wheel/./datamol/viz 2026-09-09T15:23:33,013 copying build/lib/datamol/viz/_lasso_highlight.py -> build/bdist.linux-armv7l/wheel/./datamol/viz 2026-09-09T15:23:33,015 copying build/lib/datamol/viz/_conformers.py -> build/bdist.linux-armv7l/wheel/./datamol/viz 2026-09-09T15:23:33,017 copying build/lib/datamol/viz/_circle_grid.py -> build/bdist.linux-armv7l/wheel/./datamol/viz 2026-09-09T15:23:33,020 creating build/bdist.linux-armv7l/wheel/datamol/conformers 2026-09-09T15:23:33,021 copying build/lib/datamol/conformers/__init__.py -> build/bdist.linux-armv7l/wheel/./datamol/conformers 2026-09-09T15:23:33,023 copying build/lib/datamol/conformers/_conformers.py -> build/bdist.linux-armv7l/wheel/./datamol/conformers 2026-09-09T15:23:33,025 copying build/lib/datamol/conformers/_features.py -> build/bdist.linux-armv7l/wheel/./datamol/conformers 2026-09-09T15:23:33,028 creating build/bdist.linux-armv7l/wheel/datamol/descriptors 2026-09-09T15:23:33,029 copying build/lib/datamol/descriptors/__init__.py -> build/bdist.linux-armv7l/wheel/./datamol/descriptors 2026-09-09T15:23:33,031 copying build/lib/datamol/descriptors/compute.py -> build/bdist.linux-armv7l/wheel/./datamol/descriptors 2026-09-09T15:23:33,033 copying build/lib/datamol/descriptors/descriptors.py -> build/bdist.linux-armv7l/wheel/./datamol/descriptors 2026-09-09T15:23:33,036 creating build/bdist.linux-armv7l/wheel/datamol/scaffold 2026-09-09T15:23:33,037 copying build/lib/datamol/scaffold/_fuzzy.py -> build/bdist.linux-armv7l/wheel/./datamol/scaffold 2026-09-09T15:23:33,039 copying build/lib/datamol/scaffold/__init__.py -> build/bdist.linux-armv7l/wheel/./datamol/scaffold 2026-09-09T15:23:33,041 copying build/lib/datamol/io.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:33,044 copying build/lib/datamol/mol.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:33,046 copying build/lib/datamol/mcs.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:33,048 copying build/lib/datamol/_sanifix4.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:33,050 copying build/lib/datamol/similarity.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:33,053 creating build/bdist.linux-armv7l/wheel/datamol/isomers 2026-09-09T15:23:33,054 copying build/lib/datamol/isomers/_structural.py -> build/bdist.linux-armv7l/wheel/./datamol/isomers 2026-09-09T15:23:33,056 copying build/lib/datamol/isomers/__init__.py -> build/bdist.linux-armv7l/wheel/./datamol/isomers 2026-09-09T15:23:33,058 copying build/lib/datamol/isomers/_enumerate.py -> build/bdist.linux-armv7l/wheel/./datamol/isomers 2026-09-09T15:23:33,060 copying build/lib/datamol/__init__.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:33,063 creating build/bdist.linux-armv7l/wheel/datamol/data 2026-09-09T15:23:33,064 copying build/lib/datamol/data/chembl_approved_drugs.parquet -> build/bdist.linux-armv7l/wheel/./datamol/data 2026-09-09T15:23:33,068 copying build/lib/datamol/data/solubility.test.sdf -> build/bdist.linux-armv7l/wheel/./datamol/data 2026-09-09T15:23:33,076 copying build/lib/datamol/data/chembl_samples.csv -> build/bdist.linux-armv7l/wheel/./datamol/data 2026-09-09T15:23:33,080 copying build/lib/datamol/data/cdk2.sdf -> build/bdist.linux-armv7l/wheel/./datamol/data 2026-09-09T15:23:33,084 copying build/lib/datamol/data/freesolv.csv -> build/bdist.linux-armv7l/wheel/./datamol/data 2026-09-09T15:23:33,087 copying build/lib/datamol/data/__init__.py -> build/bdist.linux-armv7l/wheel/./datamol/data 2026-09-09T15:23:33,089 copying build/lib/datamol/data/reactions.json -> build/bdist.linux-armv7l/wheel/./datamol/data 2026-09-09T15:23:33,095 copying build/lib/datamol/data/solubility.train.sdf -> build/bdist.linux-armv7l/wheel/./datamol/data 2026-09-09T15:23:33,126 copying build/lib/datamol/data/chembl_drugs.csv -> build/bdist.linux-armv7l/wheel/./datamol/data 2026-09-09T15:23:33,130 copying build/lib/datamol/data/salts_solvents.smi -> build/bdist.linux-armv7l/wheel/./datamol/data 2026-09-09T15:23:33,132 copying build/lib/datamol/align.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:33,135 copying build/lib/datamol/molar.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:33,137 copying build/lib/datamol/graph.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:33,140 creating build/bdist.linux-armv7l/wheel/datamol/predictors 2026-09-09T15:23:33,142 copying build/lib/datamol/predictors/__init__.py -> build/bdist.linux-armv7l/wheel/./datamol/predictors 2026-09-09T15:23:33,144 copying build/lib/datamol/predictors/esol.py -> build/bdist.linux-armv7l/wheel/./datamol/predictors 2026-09-09T15:23:33,146 copying build/lib/datamol/fp.py -> build/bdist.linux-armv7l/wheel/./datamol 2026-09-09T15:23:33,149 creating build/bdist.linux-armv7l/wheel/datamol/reactions 2026-09-09T15:23:33,150 copying build/lib/datamol/reactions/_reactions.py -> build/bdist.linux-armv7l/wheel/./datamol/reactions 2026-09-09T15:23:33,153 copying build/lib/datamol/reactions/__init__.py -> build/bdist.linux-armv7l/wheel/./datamol/reactions 2026-09-09T15:23:33,155 copying build/lib/datamol/reactions/_attachments.py -> build/bdist.linux-armv7l/wheel/./datamol/reactions 2026-09-09T15:23:33,157 running install_egg_info 2026-09-09T15:23:33,164 Copying datamol.egg-info to build/bdist.linux-armv7l/wheel/./datamol-0.13.0-py3.11.egg-info 2026-09-09T15:23:33,178 running install_scripts 2026-09-09T15:23:33,189 creating build/bdist.linux-armv7l/wheel/datamol-0.13.0.dist-info/WHEEL 2026-09-09T15:23:33,193 creating '/tmp/pip-wheel-dn3j0c8t/.tmp-jyb2jtz2/datamol-0.13.0-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-09-09T15:23:33,197 adding 'datamol/__init__.py' 2026-09-09T15:23:33,199 adding 'datamol/_sanifix4.py' 2026-09-09T15:23:33,200 adding 'datamol/_version.py' 2026-09-09T15:23:33,203 adding 'datamol/align.py' 2026-09-09T15:23:33,205 adding 'datamol/cluster.py' 2026-09-09T15:23:33,208 adding 'datamol/convert.py' 2026-09-09T15:23:33,210 adding 'datamol/fp.py' 2026-09-09T15:23:33,213 adding 'datamol/graph.py' 2026-09-09T15:23:33,216 adding 'datamol/io.py' 2026-09-09T15:23:33,218 adding 'datamol/log.py' 2026-09-09T15:23:33,220 adding 'datamol/mcs.py' 2026-09-09T15:23:33,226 adding 'datamol/mol.py' 2026-09-09T15:23:33,228 adding 'datamol/molar.py' 2026-09-09T15:23:33,229 adding 'datamol/similarity.py' 2026-09-09T15:23:33,230 adding 'datamol/types.py' 2026-09-09T15:23:33,232 adding 'datamol/conformers/__init__.py' 2026-09-09T15:23:33,235 adding 'datamol/conformers/_conformers.py' 2026-09-09T15:23:33,236 adding 'datamol/conformers/_features.py' 2026-09-09T15:23:33,238 adding 'datamol/data/__init__.py' 2026-09-09T15:23:33,257 adding 'datamol/data/cdk2.sdf' 2026-09-09T15:23:33,276 adding 'datamol/data/chembl_approved_drugs.parquet' 2026-09-09T15:23:33,299 adding 'datamol/data/chembl_drugs.csv' 2026-09-09T15:23:33,332 adding 'datamol/data/chembl_samples.csv' 2026-09-09T15:23:33,338 adding 'datamol/data/freesolv.csv' 2026-09-09T15:23:33,350 adding 'datamol/data/reactions.json' 2026-09-09T15:23:33,352 adding 'datamol/data/salts_solvents.smi' 2026-09-09T15:23:33,371 adding 'datamol/data/solubility.test.sdf' 2026-09-09T15:23:33,453 adding 'datamol/data/solubility.train.sdf' 2026-09-09T15:23:33,463 adding 'datamol/descriptors/__init__.py' 2026-09-09T15:23:33,464 adding 'datamol/descriptors/compute.py' 2026-09-09T15:23:33,466 adding 'datamol/descriptors/descriptors.py' 2026-09-09T15:23:33,467 adding 'datamol/fragment/__init__.py' 2026-09-09T15:23:33,469 adding 'datamol/fragment/_assemble.py' 2026-09-09T15:23:33,471 adding 'datamol/fragment/_fragment.py' 2026-09-09T15:23:33,473 adding 'datamol/isomers/__init__.py' 2026-09-09T15:23:33,474 adding 'datamol/isomers/_enumerate.py' 2026-09-09T15:23:33,476 adding 'datamol/isomers/_structural.py' 2026-09-09T15:23:33,478 adding 'datamol/predictors/__init__.py' 2026-09-09T15:23:33,479 adding 'datamol/predictors/esol.py' 2026-09-09T15:23:33,481 adding 'datamol/reactions/__init__.py' 2026-09-09T15:23:33,482 adding 'datamol/reactions/_attachments.py' 2026-09-09T15:23:33,484 adding 'datamol/reactions/_reactions.py' 2026-09-09T15:23:33,486 adding 'datamol/scaffold/__init__.py' 2026-09-09T15:23:33,488 adding 'datamol/scaffold/_fuzzy.py' 2026-09-09T15:23:33,489 adding 'datamol/utils/__init__.py' 2026-09-09T15:23:33,490 adding 'datamol/utils/decorators.py' 2026-09-09T15:23:33,493 adding 'datamol/utils/fs.py' 2026-09-09T15:23:33,495 adding 'datamol/utils/jobs.py' 2026-09-09T15:23:33,496 adding 'datamol/utils/perf.py' 2026-09-09T15:23:33,497 adding 'datamol/utils/testing.py' 2026-09-09T15:23:33,499 adding 'datamol/viz/__init__.py' 2026-09-09T15:23:33,501 adding 'datamol/viz/_circle_grid.py' 2026-09-09T15:23:33,503 adding 'datamol/viz/_conformers.py' 2026-09-09T15:23:33,506 adding 'datamol/viz/_lasso_highlight.py' 2026-09-09T15:23:33,508 adding 'datamol/viz/_substructure.py' 2026-09-09T15:23:33,509 adding 'datamol/viz/_viz.py' 2026-09-09T15:23:33,511 adding 'datamol/viz/utils.py' 2026-09-09T15:23:33,514 adding 'datamol-0.13.0.dist-info/licenses/LICENSE' 2026-09-09T15:23:33,516 adding 'datamol-0.13.0.dist-info/METADATA' 2026-09-09T15:23:33,517 adding 'datamol-0.13.0.dist-info/WHEEL' 2026-09-09T15:23:33,518 adding 'datamol-0.13.0.dist-info/top_level.txt' 2026-09-09T15:23:33,520 adding 'datamol-0.13.0.dist-info/RECORD' 2026-09-09T15:23:33,527 removing build/bdist.linux-armv7l/wheel 2026-09-09T15:23:33,653 Building wheel for datamol (pyproject.toml): finished with status 'done' 2026-09-09T15:23:33,671 Created wheel for datamol: filename=datamol-0.13.0-py3-none-any.whl size=497802 sha256=2f1262f1fb852413473f9fe11615597a9b5e73563c98d3cfcfcb527d07225d3f 2026-09-09T15:23:33,672 Stored in directory: /tmp/pip-ephem-wheel-cache-l3gv394z/wheels/be/b7/38/bbf231f08446f787df51b173e9acca3ac15dfd811fbc98f60a 2026-09-09T15:23:33,687 Successfully built datamol 2026-09-09T15:23:33,702 Removed build tracker: '/tmp/pip-build-tracker-qw3nsrxt'