2026-03-05T11:47:48,933 Created temporary directory: /tmp/pip-ephem-wheel-cache-5hsg32rq 2026-03-05T11:47:48,935 Created temporary directory: /tmp/pip-build-tracker-3iutpbqs 2026-03-05T11:47:48,936 Initialized build tracking at /tmp/pip-build-tracker-3iutpbqs 2026-03-05T11:47:48,936 Created build tracker: /tmp/pip-build-tracker-3iutpbqs 2026-03-05T11:47:48,937 Entered build tracker: /tmp/pip-build-tracker-3iutpbqs 2026-03-05T11:47:48,938 Created temporary directory: /tmp/pip-wheel-8f3ebbp_ 2026-03-05T11:47:48,941 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 2026-03-05T11:47:48,943 Created temporary directory: /tmp/pip-ephem-wheel-cache-kz58qchi 2026-03-05T11:47:48,966 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-03-05T11:47:48,969 2 location(s) to search for versions of acellera-openff-nagl: 2026-03-05T11:47:48,969 * https://pypi.org/simple/acellera-openff-nagl/ 2026-03-05T11:47:48,969 * https://www.piwheels.org/simple/acellera-openff-nagl/ 2026-03-05T11:47:48,970 Fetching project page and analyzing links: https://pypi.org/simple/acellera-openff-nagl/ 2026-03-05T11:47:48,971 Getting page https://pypi.org/simple/acellera-openff-nagl/ 2026-03-05T11:47:48,972 Found index url https://pypi.org/simple 2026-03-05T11:47:49,182 Fetched page https://pypi.org/simple/acellera-openff-nagl/ as application/vnd.pypi.simple.v1+json 2026-03-05T11:47:49,184 Found link https://files.pythonhosted.org/packages/65/ca/0be282c4670abb56073506d1bcd9a503e646d9be8cf2d1f31ade384687e9/acellera_openff_nagl-0.5.4.tar.gz (from https://pypi.org/simple/acellera-openff-nagl/) (requires-python:>=3.10), version: 0.5.4 2026-03-05T11:47:49,185 Fetching project page and analyzing links: https://www.piwheels.org/simple/acellera-openff-nagl/ 2026-03-05T11:47:49,185 Getting page https://www.piwheels.org/simple/acellera-openff-nagl/ 2026-03-05T11:47:49,187 Found index url https://www.piwheels.org/simple 2026-03-05T11:47:49,393 Fetched page https://www.piwheels.org/simple/acellera-openff-nagl/ as text/html 2026-03-05T11:47:49,394 Skipping link: not a file: https://www.piwheels.org/simple/acellera-openff-nagl/ 2026-03-05T11:47:49,395 Skipping link: not a file: https://pypi.org/simple/acellera-openff-nagl/ 2026-03-05T11:47:49,414 Given no hashes to check 1 links for project 'acellera-openff-nagl': discarding no candidates 2026-03-05T11:47:49,432 Collecting acellera-openff-nagl==0.5.4 2026-03-05T11:47:49,434 Created temporary directory: /tmp/pip-unpack-lk6skhen 2026-03-05T11:47:49,642 Downloading acellera_openff_nagl-0.5.4.tar.gz (115 kB) 2026-03-05T11:47:49,882 Added acellera-openff-nagl==0.5.4 from https://files.pythonhosted.org/packages/65/ca/0be282c4670abb56073506d1bcd9a503e646d9be8cf2d1f31ade384687e9/acellera_openff_nagl-0.5.4.tar.gz to build tracker '/tmp/pip-build-tracker-3iutpbqs' 2026-03-05T11:47:49,889 Created temporary directory: /tmp/pip-build-env-absrzz4n 2026-03-05T11:47:49,894 Installing build dependencies: started 2026-03-05T11:47:49,896 Running command pip subprocess to install build dependencies 2026-03-05T11:47:51,074 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2026-03-05T11:47:51,641 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 2026-03-05T11:47:51,664 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-03-05T11:47:53,447 Collecting setuptools 2026-03-05T11:47:53,534 Using cached https://www.piwheels.org/simple/setuptools/setuptools-82.0.0-py3-none-any.whl (1.0 MB) 2026-03-05T11:47:53,670 Collecting versioneer[toml]==0.29 2026-03-05T11:47:53,685 Downloading https://www.piwheels.org/simple/versioneer/versioneer-0.29-py3-none-any.whl (46 kB) 2026-03-05T11:47:53,704 ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 46.8/46.8 kB 3.7 MB/s eta 0:00:00 2026-03-05T11:47:53,938 Collecting wheel 2026-03-05T11:47:53,952 Using cached https://www.piwheels.org/simple/wheel/wheel-0.46.3-py3-none-any.whl (30 kB) 2026-03-05T11:47:54,143 Collecting packaging>=24.0 2026-03-05T11:47:54,159 Using cached https://www.piwheels.org/simple/packaging/packaging-26.0-py3-none-any.whl (74 kB) 2026-03-05T11:47:57,148 Installing collected packages: versioneer, setuptools, packaging, wheel 2026-03-05T11:47:57,178 Creating /tmp/pip-build-env-absrzz4n/overlay/local/bin 2026-03-05T11:47:57,180 changing mode of /tmp/pip-build-env-absrzz4n/overlay/local/bin/versioneer to 755 2026-03-05T11:48:00,591 changing mode of /tmp/pip-build-env-absrzz4n/overlay/local/bin/wheel to 755 2026-03-05T11:48:00,620 Successfully installed packaging-26.0 setuptools-82.0.0 versioneer-0.29 wheel-0.46.3 2026-03-05T11:48:00,904 Installing build dependencies: finished with status 'done' 2026-03-05T11:48:00,911 Getting requirements to build wheel: started 2026-03-05T11:48:00,912 Running command Getting requirements to build wheel 2026-03-05T11:48:01,540 /tmp/pip-build-env-absrzz4n/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-03-05T11:48:01,541 !! 2026-03-05T11:48:01,542 ******************************************************************************** 2026-03-05T11:48:01,542 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). 2026-03-05T11:48:01,543 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-03-05T11:48:01,544 or your builds will no longer be supported. 2026-03-05T11:48:01,544 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-03-05T11:48:01,545 ******************************************************************************** 2026-03-05T11:48:01,546 !! 2026-03-05T11:48:01,546 corresp(dist, value, root_dir) 2026-03-05T11:48:01,630 running egg_info 2026-03-05T11:48:01,637 writing acellera_openff_nagl.egg-info/PKG-INFO 2026-03-05T11:48:01,642 writing dependency_links to acellera_openff_nagl.egg-info/dependency_links.txt 2026-03-05T11:48:01,645 writing requirements to acellera_openff_nagl.egg-info/requires.txt 2026-03-05T11:48:01,647 writing top-level names to acellera_openff_nagl.egg-info/top_level.txt 2026-03-05T11:48:01,681 reading manifest file 'acellera_openff_nagl.egg-info/SOURCES.txt' 2026-03-05T11:48:01,688 reading manifest template 'MANIFEST.in' 2026-03-05T11:48:01,696 warning: no previously-included files matching '*.py[cod]' found anywhere in distribution 2026-03-05T11:48:01,698 warning: no previously-included files matching '__pycache__' found anywhere in distribution 2026-03-05T11:48:01,699 warning: no previously-included files matching '*.soinclude' found anywhere in distribution 2026-03-05T11:48:01,701 no previously-included directories found matching 'openff/nagl/tests' 2026-03-05T11:48:01,702 adding license file 'LICENSE' 2026-03-05T11:48:01,703 adding license file 'LICENSE-3RD-PARTY' 2026-03-05T11:48:01,703 adding license file 'AUTHORS.md' 2026-03-05T11:48:01,710 writing manifest file 'acellera_openff_nagl.egg-info/SOURCES.txt' 2026-03-05T11:48:01,808 Getting requirements to build wheel: finished with status 'done' 2026-03-05T11:48:01,812 Created temporary directory: /tmp/pip-modern-metadata-nzkythcq 2026-03-05T11:48:01,814 Preparing metadata (pyproject.toml): started 2026-03-05T11:48:01,815 Running command Preparing metadata (pyproject.toml) 2026-03-05T11:48:02,392 /tmp/pip-build-env-absrzz4n/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-03-05T11:48:02,392 !! 2026-03-05T11:48:02,393 ******************************************************************************** 2026-03-05T11:48:02,394 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). 2026-03-05T11:48:02,395 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-03-05T11:48:02,396 or your builds will no longer be supported. 2026-03-05T11:48:02,396 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-03-05T11:48:02,397 ******************************************************************************** 2026-03-05T11:48:02,398 !! 2026-03-05T11:48:02,399 corresp(dist, value, root_dir) 2026-03-05T11:48:02,478 running dist_info 2026-03-05T11:48:02,489 creating /tmp/pip-modern-metadata-nzkythcq/acellera_openff_nagl.egg-info 2026-03-05T11:48:02,490 writing /tmp/pip-modern-metadata-nzkythcq/acellera_openff_nagl.egg-info/PKG-INFO 2026-03-05T11:48:02,495 writing dependency_links to /tmp/pip-modern-metadata-nzkythcq/acellera_openff_nagl.egg-info/dependency_links.txt 2026-03-05T11:48:02,498 writing requirements to /tmp/pip-modern-metadata-nzkythcq/acellera_openff_nagl.egg-info/requires.txt 2026-03-05T11:48:02,499 writing top-level names to /tmp/pip-modern-metadata-nzkythcq/acellera_openff_nagl.egg-info/top_level.txt 2026-03-05T11:48:02,500 writing manifest file '/tmp/pip-modern-metadata-nzkythcq/acellera_openff_nagl.egg-info/SOURCES.txt' 2026-03-05T11:48:02,531 reading manifest file '/tmp/pip-modern-metadata-nzkythcq/acellera_openff_nagl.egg-info/SOURCES.txt' 2026-03-05T11:48:02,533 reading manifest template 'MANIFEST.in' 2026-03-05T11:48:02,542 warning: no previously-included files matching '*.py[cod]' found anywhere in distribution 2026-03-05T11:48:02,542 warning: no previously-included files matching '__pycache__' found anywhere in distribution 2026-03-05T11:48:02,543 warning: no previously-included files matching '*.soinclude' found anywhere in distribution 2026-03-05T11:48:02,545 no previously-included directories found matching 'openff/nagl/tests' 2026-03-05T11:48:02,545 adding license file 'LICENSE' 2026-03-05T11:48:02,546 adding license file 'LICENSE-3RD-PARTY' 2026-03-05T11:48:02,547 adding license file 'AUTHORS.md' 2026-03-05T11:48:02,551 writing manifest file '/tmp/pip-modern-metadata-nzkythcq/acellera_openff_nagl.egg-info/SOURCES.txt' 2026-03-05T11:48:02,552 creating '/tmp/pip-modern-metadata-nzkythcq/acellera_openff_nagl-0.5.4.dist-info' 2026-03-05T11:48:02,678 Preparing metadata (pyproject.toml): finished with status 'done' 2026-03-05T11:48:02,683 Source in /tmp/pip-wheel-8f3ebbp_/acellera-openff-nagl_01586b8011ce498b992f7e29d338264a has version 0.5.4, which satisfies requirement acellera-openff-nagl==0.5.4 from https://files.pythonhosted.org/packages/65/ca/0be282c4670abb56073506d1bcd9a503e646d9be8cf2d1f31ade384687e9/acellera_openff_nagl-0.5.4.tar.gz 2026-03-05T11:48:02,684 Removed acellera-openff-nagl==0.5.4 from https://files.pythonhosted.org/packages/65/ca/0be282c4670abb56073506d1bcd9a503e646d9be8cf2d1f31ade384687e9/acellera_openff_nagl-0.5.4.tar.gz from build tracker '/tmp/pip-build-tracker-3iutpbqs' 2026-03-05T11:48:02,690 Created temporary directory: /tmp/pip-unpack-o7mooomj 2026-03-05T11:48:02,690 Building wheels for collected packages: acellera-openff-nagl 2026-03-05T11:48:02,695 Created temporary directory: /tmp/pip-wheel-blmpeigg 2026-03-05T11:48:02,695 Destination directory: /tmp/pip-wheel-blmpeigg 2026-03-05T11:48:02,698 Building wheel for acellera-openff-nagl (pyproject.toml): started 2026-03-05T11:48:02,699 Running command Building wheel for acellera-openff-nagl (pyproject.toml) 2026-03-05T11:48:03,284 /tmp/pip-build-env-absrzz4n/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-03-05T11:48:03,285 !! 2026-03-05T11:48:03,286 ******************************************************************************** 2026-03-05T11:48:03,286 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). 2026-03-05T11:48:03,287 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-03-05T11:48:03,288 or your builds will no longer be supported. 2026-03-05T11:48:03,289 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-03-05T11:48:03,289 ******************************************************************************** 2026-03-05T11:48:03,290 !! 2026-03-05T11:48:03,290 corresp(dist, value, root_dir) 2026-03-05T11:48:03,360 running bdist_wheel 2026-03-05T11:48:03,380 running build 2026-03-05T11:48:03,380 running build_py 2026-03-05T11:48:03,387 creating build/lib/openff/nagl 2026-03-05T11:48:03,389 copying openff/nagl/domains.py -> build/lib/openff/nagl 2026-03-05T11:48:03,391 copying openff/nagl/lookups.py -> build/lib/openff/nagl 2026-03-05T11:48:03,394 copying openff/nagl/_version.py -> build/lib/openff/nagl 2026-03-05T11:48:03,397 copying openff/nagl/__init__.py -> build/lib/openff/nagl 2026-03-05T11:48:03,399 creating build/lib/openff/nagl/nn 2026-03-05T11:48:03,400 copying openff/nagl/nn/_dataset.py -> build/lib/openff/nagl/nn 2026-03-05T11:48:03,403 copying openff/nagl/nn/postprocess.py -> build/lib/openff/nagl/nn 2026-03-05T11:48:03,405 copying openff/nagl/nn/activation.py -> build/lib/openff/nagl/nn 2026-03-05T11:48:03,407 copying openff/nagl/nn/_pooling.py -> build/lib/openff/nagl/nn 2026-03-05T11:48:03,409 copying openff/nagl/nn/_sequential.py -> build/lib/openff/nagl/nn 2026-03-05T11:48:03,411 copying openff/nagl/nn/_containers.py -> build/lib/openff/nagl/nn 2026-03-05T11:48:03,413 copying openff/nagl/nn/_base.py -> build/lib/openff/nagl/nn 2026-03-05T11:48:03,415 copying openff/nagl/nn/_models.py -> build/lib/openff/nagl/nn 2026-03-05T11:48:03,418 copying openff/nagl/nn/__init__.py -> build/lib/openff/nagl/nn 2026-03-05T11:48:03,420 creating build/lib/openff/nagl/training 2026-03-05T11:48:03,421 copying openff/nagl/training/loss.py -> build/lib/openff/nagl/training 2026-03-05T11:48:03,424 copying openff/nagl/training/training.py -> build/lib/openff/nagl/training 2026-03-05T11:48:03,426 copying openff/nagl/training/metrics.py -> build/lib/openff/nagl/training 2026-03-05T11:48:03,428 copying openff/nagl/training/__init__.py -> build/lib/openff/nagl/training 2026-03-05T11:48:03,431 creating build/lib/openff/nagl/_base 2026-03-05T11:48:03,432 copying openff/nagl/_base/metaregistry.py -> build/lib/openff/nagl/_base 2026-03-05T11:48:03,434 copying openff/nagl/_base/base.py -> build/lib/openff/nagl/_base 2026-03-05T11:48:03,436 copying openff/nagl/_base/__init__.py -> build/lib/openff/nagl/_base 2026-03-05T11:48:03,438 creating build/lib/openff/nagl/utils 2026-03-05T11:48:03,439 copying openff/nagl/utils/_time.py -> build/lib/openff/nagl/utils 2026-03-05T11:48:03,442 copying openff/nagl/utils/_hash.py -> build/lib/openff/nagl/utils 2026-03-05T11:48:03,444 copying openff/nagl/utils/_parallelization.py -> build/lib/openff/nagl/utils 2026-03-05T11:48:03,446 copying openff/nagl/utils/_types.py -> build/lib/openff/nagl/utils 2026-03-05T11:48:03,448 copying openff/nagl/utils/_utils.py -> build/lib/openff/nagl/utils 2026-03-05T11:48:03,450 copying openff/nagl/utils/resonance.py -> build/lib/openff/nagl/utils 2026-03-05T11:48:03,453 copying openff/nagl/utils/__init__.py -> build/lib/openff/nagl/utils 2026-03-05T11:48:03,455 creating build/lib/openff/nagl/molecule 2026-03-05T11:48:03,456 copying openff/nagl/molecule/_utils.py -> build/lib/openff/nagl/molecule 2026-03-05T11:48:03,458 copying openff/nagl/molecule/_base.py -> build/lib/openff/nagl/molecule 2026-03-05T11:48:03,460 copying openff/nagl/molecule/__init__.py -> build/lib/openff/nagl/molecule 2026-03-05T11:48:03,462 creating build/lib/openff/nagl/features 2026-03-05T11:48:03,463 copying openff/nagl/features/_data.py -> build/lib/openff/nagl/features 2026-03-05T11:48:03,466 copying openff/nagl/features/bonds.py -> build/lib/openff/nagl/features 2026-03-05T11:48:03,468 copying openff/nagl/features/atoms.py -> build/lib/openff/nagl/features 2026-03-05T11:48:03,471 copying openff/nagl/features/_utils.py -> build/lib/openff/nagl/features 2026-03-05T11:48:03,472 copying openff/nagl/features/_base.py -> build/lib/openff/nagl/features 2026-03-05T11:48:03,474 copying openff/nagl/features/_featurizers.py -> build/lib/openff/nagl/features 2026-03-05T11:48:03,476 copying openff/nagl/features/__init__.py -> build/lib/openff/nagl/features 2026-03-05T11:48:03,479 creating build/lib/openff/nagl/toolkits 2026-03-05T11:48:03,480 copying openff/nagl/toolkits/rdkit.py -> build/lib/openff/nagl/toolkits 2026-03-05T11:48:03,483 copying openff/nagl/toolkits/openeye.py -> build/lib/openff/nagl/toolkits 2026-03-05T11:48:03,485 copying openff/nagl/toolkits/openff.py -> build/lib/openff/nagl/toolkits 2026-03-05T11:48:03,488 copying openff/nagl/toolkits/_base.py -> build/lib/openff/nagl/toolkits 2026-03-05T11:48:03,490 copying openff/nagl/toolkits/__init__.py -> build/lib/openff/nagl/toolkits 2026-03-05T11:48:03,492 copying openff/nagl/toolkits/registry.py -> build/lib/openff/nagl/toolkits 2026-03-05T11:48:03,494 creating build/lib/openff/nagl/config 2026-03-05T11:48:03,495 copying openff/nagl/config/training.py -> build/lib/openff/nagl/config 2026-03-05T11:48:03,497 copying openff/nagl/config/data.py -> build/lib/openff/nagl/config 2026-03-05T11:48:03,499 copying openff/nagl/config/optimizer.py -> build/lib/openff/nagl/config 2026-03-05T11:48:03,501 copying openff/nagl/config/model.py -> build/lib/openff/nagl/config 2026-03-05T11:48:03,504 copying openff/nagl/config/__init__.py -> build/lib/openff/nagl/config 2026-03-05T11:48:03,506 creating build/lib/openff/nagl/label 2026-03-05T11:48:03,507 copying openff/nagl/label/utils.py -> build/lib/openff/nagl/label 2026-03-05T11:48:03,509 copying openff/nagl/label/dataset.py -> build/lib/openff/nagl/label 2026-03-05T11:48:03,511 copying openff/nagl/label/labels.py -> build/lib/openff/nagl/label 2026-03-05T11:48:03,514 creating build/lib/openff/nagl/nn/gcn 2026-03-05T11:48:03,515 copying openff/nagl/nn/gcn/_function.py -> build/lib/openff/nagl/nn/gcn 2026-03-05T11:48:03,518 copying openff/nagl/nn/gcn/_gin.py -> build/lib/openff/nagl/nn/gcn 2026-03-05T11:48:03,520 copying openff/nagl/nn/gcn/_base.py -> build/lib/openff/nagl/nn/gcn 2026-03-05T11:48:03,523 copying openff/nagl/nn/gcn/_sage.py -> build/lib/openff/nagl/nn/gcn 2026-03-05T11:48:03,525 copying openff/nagl/nn/gcn/__init__.py -> build/lib/openff/nagl/nn/gcn 2026-03-05T11:48:03,528 creating build/lib/openff/nagl/training/templates 2026-03-05T11:48:03,529 copying openff/nagl/training/templates/files.py -> build/lib/openff/nagl/training/templates 2026-03-05T11:48:03,530 copying openff/nagl/training/templates/__init__.py -> build/lib/openff/nagl/training/templates 2026-03-05T11:48:03,532 creating build/lib/openff/nagl/molecule/_dgl 2026-03-05T11:48:03,533 copying openff/nagl/molecule/_dgl/molecule.py -> build/lib/openff/nagl/molecule/_dgl 2026-03-05T11:48:03,536 copying openff/nagl/molecule/_dgl/utils.py -> build/lib/openff/nagl/molecule/_dgl 2026-03-05T11:48:03,538 copying openff/nagl/molecule/_dgl/batch.py -> build/lib/openff/nagl/molecule/_dgl 2026-03-05T11:48:03,540 copying openff/nagl/molecule/_dgl/__init__.py -> build/lib/openff/nagl/molecule/_dgl 2026-03-05T11:48:03,543 creating build/lib/openff/nagl/molecule/_graph 2026-03-05T11:48:03,544 copying openff/nagl/molecule/_graph/_batch.py -> build/lib/openff/nagl/molecule/_graph 2026-03-05T11:48:03,546 copying openff/nagl/molecule/_graph/_graph.py -> build/lib/openff/nagl/molecule/_graph 2026-03-05T11:48:03,549 copying openff/nagl/molecule/_graph/_update.py -> build/lib/openff/nagl/molecule/_graph 2026-03-05T11:48:03,551 copying openff/nagl/molecule/_graph/molecule.py -> build/lib/openff/nagl/molecule/_graph 2026-03-05T11:48:03,553 copying openff/nagl/molecule/_graph/_utils.py -> build/lib/openff/nagl/molecule/_graph 2026-03-05T11:48:03,555 copying openff/nagl/molecule/_graph/__init__.py -> build/lib/openff/nagl/molecule/_graph 2026-03-05T11:48:03,579 installing to build/bdist.linux-armv7l/wheel 2026-03-05T11:48:03,579 running install 2026-03-05T11:48:03,603 running install_lib 2026-03-05T11:48:03,609 creating build/bdist.linux-armv7l/wheel 2026-03-05T11:48:03,611 creating build/bdist.linux-armv7l/wheel/openff 2026-03-05T11:48:03,612 creating build/bdist.linux-armv7l/wheel/openff/nagl 2026-03-05T11:48:03,614 creating build/bdist.linux-armv7l/wheel/openff/nagl/nn 2026-03-05T11:48:03,615 copying build/lib/openff/nagl/nn/_dataset.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn 2026-03-05T11:48:03,618 copying build/lib/openff/nagl/nn/postprocess.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn 2026-03-05T11:48:03,620 copying build/lib/openff/nagl/nn/activation.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn 2026-03-05T11:48:03,622 copying build/lib/openff/nagl/nn/_pooling.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn 2026-03-05T11:48:03,624 creating build/bdist.linux-armv7l/wheel/openff/nagl/nn/gcn 2026-03-05T11:48:03,625 copying build/lib/openff/nagl/nn/gcn/_function.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn/gcn 2026-03-05T11:48:03,627 copying build/lib/openff/nagl/nn/gcn/_gin.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn/gcn 2026-03-05T11:48:03,629 copying build/lib/openff/nagl/nn/gcn/_base.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn/gcn 2026-03-05T11:48:03,631 copying build/lib/openff/nagl/nn/gcn/_sage.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn/gcn 2026-03-05T11:48:03,633 copying build/lib/openff/nagl/nn/gcn/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn/gcn 2026-03-05T11:48:03,635 copying build/lib/openff/nagl/nn/_sequential.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn 2026-03-05T11:48:03,637 copying build/lib/openff/nagl/nn/_containers.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn 2026-03-05T11:48:03,639 copying build/lib/openff/nagl/nn/_base.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn 2026-03-05T11:48:03,641 copying build/lib/openff/nagl/nn/_models.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn 2026-03-05T11:48:03,643 copying build/lib/openff/nagl/nn/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/nn 2026-03-05T11:48:03,645 copying build/lib/openff/nagl/domains.py -> build/bdist.linux-armv7l/wheel/./openff/nagl 2026-03-05T11:48:03,647 copying build/lib/openff/nagl/lookups.py -> build/bdist.linux-armv7l/wheel/./openff/nagl 2026-03-05T11:48:03,649 creating build/bdist.linux-armv7l/wheel/openff/nagl/training 2026-03-05T11:48:03,650 copying build/lib/openff/nagl/training/loss.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/training 2026-03-05T11:48:03,653 copying build/lib/openff/nagl/training/training.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/training 2026-03-05T11:48:03,656 creating build/bdist.linux-armv7l/wheel/openff/nagl/training/templates 2026-03-05T11:48:03,657 copying build/lib/openff/nagl/training/templates/files.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/training/templates 2026-03-05T11:48:03,658 copying build/lib/openff/nagl/training/templates/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/training/templates 2026-03-05T11:48:03,660 copying build/lib/openff/nagl/training/metrics.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/training 2026-03-05T11:48:03,662 copying build/lib/openff/nagl/training/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/training 2026-03-05T11:48:03,664 creating build/bdist.linux-armv7l/wheel/openff/nagl/_base 2026-03-05T11:48:03,665 copying build/lib/openff/nagl/_base/metaregistry.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/_base 2026-03-05T11:48:03,666 copying build/lib/openff/nagl/_base/base.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/_base 2026-03-05T11:48:03,668 copying build/lib/openff/nagl/_base/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/_base 2026-03-05T11:48:03,670 creating build/bdist.linux-armv7l/wheel/openff/nagl/utils 2026-03-05T11:48:03,671 copying build/lib/openff/nagl/utils/_time.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/utils 2026-03-05T11:48:03,673 copying build/lib/openff/nagl/utils/_hash.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/utils 2026-03-05T11:48:03,675 copying build/lib/openff/nagl/utils/_parallelization.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/utils 2026-03-05T11:48:03,677 copying build/lib/openff/nagl/utils/_types.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/utils 2026-03-05T11:48:03,679 copying build/lib/openff/nagl/utils/_utils.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/utils 2026-03-05T11:48:03,681 copying build/lib/openff/nagl/utils/resonance.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/utils 2026-03-05T11:48:03,683 copying build/lib/openff/nagl/utils/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/utils 2026-03-05T11:48:03,685 creating build/bdist.linux-armv7l/wheel/openff/nagl/molecule 2026-03-05T11:48:03,686 copying build/lib/openff/nagl/molecule/_utils.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule 2026-03-05T11:48:03,689 creating build/bdist.linux-armv7l/wheel/openff/nagl/molecule/_dgl 2026-03-05T11:48:03,689 copying build/lib/openff/nagl/molecule/_dgl/molecule.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule/_dgl 2026-03-05T11:48:03,692 copying build/lib/openff/nagl/molecule/_dgl/utils.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule/_dgl 2026-03-05T11:48:03,694 copying build/lib/openff/nagl/molecule/_dgl/batch.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule/_dgl 2026-03-05T11:48:03,695 copying build/lib/openff/nagl/molecule/_dgl/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule/_dgl 2026-03-05T11:48:03,698 creating build/bdist.linux-armv7l/wheel/openff/nagl/molecule/_graph 2026-03-05T11:48:03,699 copying build/lib/openff/nagl/molecule/_graph/_batch.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule/_graph 2026-03-05T11:48:03,701 copying build/lib/openff/nagl/molecule/_graph/_graph.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule/_graph 2026-03-05T11:48:03,703 copying build/lib/openff/nagl/molecule/_graph/_update.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule/_graph 2026-03-05T11:48:03,705 copying build/lib/openff/nagl/molecule/_graph/molecule.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule/_graph 2026-03-05T11:48:03,707 copying build/lib/openff/nagl/molecule/_graph/_utils.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule/_graph 2026-03-05T11:48:03,709 copying build/lib/openff/nagl/molecule/_graph/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule/_graph 2026-03-05T11:48:03,711 copying build/lib/openff/nagl/molecule/_base.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule 2026-03-05T11:48:03,713 copying build/lib/openff/nagl/molecule/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/molecule 2026-03-05T11:48:03,715 creating build/bdist.linux-armv7l/wheel/openff/nagl/features 2026-03-05T11:48:03,716 copying build/lib/openff/nagl/features/_data.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/features 2026-03-05T11:48:03,719 copying build/lib/openff/nagl/features/bonds.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/features 2026-03-05T11:48:03,721 copying build/lib/openff/nagl/features/atoms.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/features 2026-03-05T11:48:03,723 copying build/lib/openff/nagl/features/_utils.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/features 2026-03-05T11:48:03,724 copying build/lib/openff/nagl/features/_base.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/features 2026-03-05T11:48:03,726 copying build/lib/openff/nagl/features/_featurizers.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/features 2026-03-05T11:48:03,728 copying build/lib/openff/nagl/features/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/features 2026-03-05T11:48:03,729 copying build/lib/openff/nagl/_version.py -> build/bdist.linux-armv7l/wheel/./openff/nagl 2026-03-05T11:48:03,732 creating build/bdist.linux-armv7l/wheel/openff/nagl/toolkits 2026-03-05T11:48:03,733 copying build/lib/openff/nagl/toolkits/rdkit.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/toolkits 2026-03-05T11:48:03,736 copying build/lib/openff/nagl/toolkits/openeye.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/toolkits 2026-03-05T11:48:03,738 copying build/lib/openff/nagl/toolkits/openff.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/toolkits 2026-03-05T11:48:03,741 copying build/lib/openff/nagl/toolkits/_base.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/toolkits 2026-03-05T11:48:03,743 copying build/lib/openff/nagl/toolkits/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/toolkits 2026-03-05T11:48:03,744 copying build/lib/openff/nagl/toolkits/registry.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/toolkits 2026-03-05T11:48:03,747 creating build/bdist.linux-armv7l/wheel/openff/nagl/config 2026-03-05T11:48:03,748 copying build/lib/openff/nagl/config/training.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/config 2026-03-05T11:48:03,750 copying build/lib/openff/nagl/config/data.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/config 2026-03-05T11:48:03,752 copying build/lib/openff/nagl/config/optimizer.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/config 2026-03-05T11:48:03,753 copying build/lib/openff/nagl/config/model.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/config 2026-03-05T11:48:03,756 copying build/lib/openff/nagl/config/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/config 2026-03-05T11:48:03,758 creating build/bdist.linux-armv7l/wheel/openff/nagl/label 2026-03-05T11:48:03,759 copying build/lib/openff/nagl/label/utils.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/label 2026-03-05T11:48:03,761 copying build/lib/openff/nagl/label/dataset.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/label 2026-03-05T11:48:03,763 copying build/lib/openff/nagl/label/labels.py -> build/bdist.linux-armv7l/wheel/./openff/nagl/label 2026-03-05T11:48:03,766 copying build/lib/openff/nagl/__init__.py -> build/bdist.linux-armv7l/wheel/./openff/nagl 2026-03-05T11:48:03,767 running install_egg_info 2026-03-05T11:48:03,777 running egg_info 2026-03-05T11:48:03,783 writing acellera_openff_nagl.egg-info/PKG-INFO 2026-03-05T11:48:03,787 writing dependency_links to acellera_openff_nagl.egg-info/dependency_links.txt 2026-03-05T11:48:03,790 writing requirements to acellera_openff_nagl.egg-info/requires.txt 2026-03-05T11:48:03,791 writing top-level names to acellera_openff_nagl.egg-info/top_level.txt 2026-03-05T11:48:03,811 reading manifest file 'acellera_openff_nagl.egg-info/SOURCES.txt' 2026-03-05T11:48:03,816 reading manifest template 'MANIFEST.in' 2026-03-05T11:48:03,825 warning: no previously-included files matching '*.py[cod]' found anywhere in distribution 2026-03-05T11:48:03,825 warning: no previously-included files matching '__pycache__' found anywhere in distribution 2026-03-05T11:48:03,826 warning: no previously-included files matching '*.soinclude' found anywhere in distribution 2026-03-05T11:48:03,828 no previously-included directories found matching 'openff/nagl/tests' 2026-03-05T11:48:03,829 adding license file 'LICENSE' 2026-03-05T11:48:03,830 adding license file 'LICENSE-3RD-PARTY' 2026-03-05T11:48:03,830 adding license file 'AUTHORS.md' 2026-03-05T11:48:03,835 writing manifest file 'acellera_openff_nagl.egg-info/SOURCES.txt' 2026-03-05T11:48:03,836 Copying acellera_openff_nagl.egg-info to build/bdist.linux-armv7l/wheel/./acellera_openff_nagl-0.5.4-py3.11.egg-info 2026-03-05T11:48:03,846 running install_scripts 2026-03-05T11:48:03,861 creating build/bdist.linux-armv7l/wheel/acellera_openff_nagl-0.5.4.dist-info/WHEEL 2026-03-05T11:48:03,864 creating '/tmp/pip-wheel-blmpeigg/.tmp-zc59natl/acellera_openff_nagl-0.5.4-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-03-05T11:48:03,867 adding 'acellera_openff_nagl-0.5.4.dist-info/licenses/AUTHORS.md' 2026-03-05T11:48:03,868 adding 'acellera_openff_nagl-0.5.4.dist-info/licenses/LICENSE' 2026-03-05T11:48:03,871 adding 'acellera_openff_nagl-0.5.4.dist-info/licenses/LICENSE-3RD-PARTY' 2026-03-05T11:48:03,873 adding 'openff/nagl/__init__.py' 2026-03-05T11:48:03,876 adding 'openff/nagl/_version.py' 2026-03-05T11:48:03,878 adding 'openff/nagl/domains.py' 2026-03-05T11:48:03,880 adding 'openff/nagl/lookups.py' 2026-03-05T11:48:03,882 adding 'openff/nagl/_base/__init__.py' 2026-03-05T11:48:03,883 adding 'openff/nagl/_base/base.py' 2026-03-05T11:48:03,884 adding 'openff/nagl/_base/metaregistry.py' 2026-03-05T11:48:03,886 adding 'openff/nagl/config/__init__.py' 2026-03-05T11:48:03,887 adding 'openff/nagl/config/data.py' 2026-03-05T11:48:03,889 adding 'openff/nagl/config/model.py' 2026-03-05T11:48:03,890 adding 'openff/nagl/config/optimizer.py' 2026-03-05T11:48:03,891 adding 'openff/nagl/config/training.py' 2026-03-05T11:48:03,893 adding 'openff/nagl/features/__init__.py' 2026-03-05T11:48:03,894 adding 'openff/nagl/features/_base.py' 2026-03-05T11:48:03,896 adding 'openff/nagl/features/_data.py' 2026-03-05T11:48:03,897 adding 'openff/nagl/features/_featurizers.py' 2026-03-05T11:48:03,899 adding 'openff/nagl/features/_utils.py' 2026-03-05T11:48:03,901 adding 'openff/nagl/features/atoms.py' 2026-03-05T11:48:03,902 adding 'openff/nagl/features/bonds.py' 2026-03-05T11:48:03,904 adding 'openff/nagl/label/dataset.py' 2026-03-05T11:48:03,906 adding 'openff/nagl/label/labels.py' 2026-03-05T11:48:03,908 adding 'openff/nagl/label/utils.py' 2026-03-05T11:48:03,909 adding 'openff/nagl/molecule/__init__.py' 2026-03-05T11:48:03,911 adding 'openff/nagl/molecule/_base.py' 2026-03-05T11:48:03,912 adding 'openff/nagl/molecule/_utils.py' 2026-03-05T11:48:03,914 adding 'openff/nagl/molecule/_dgl/__init__.py' 2026-03-05T11:48:03,915 adding 'openff/nagl/molecule/_dgl/batch.py' 2026-03-05T11:48:03,916 adding 'openff/nagl/molecule/_dgl/molecule.py' 2026-03-05T11:48:03,918 adding 'openff/nagl/molecule/_dgl/utils.py' 2026-03-05T11:48:03,920 adding 'openff/nagl/molecule/_graph/__init__.py' 2026-03-05T11:48:03,921 adding 'openff/nagl/molecule/_graph/_batch.py' 2026-03-05T11:48:03,923 adding 'openff/nagl/molecule/_graph/_graph.py' 2026-03-05T11:48:03,925 adding 'openff/nagl/molecule/_graph/_update.py' 2026-03-05T11:48:03,927 adding 'openff/nagl/molecule/_graph/_utils.py' 2026-03-05T11:48:03,928 adding 'openff/nagl/molecule/_graph/molecule.py' 2026-03-05T11:48:03,930 adding 'openff/nagl/nn/__init__.py' 2026-03-05T11:48:03,931 adding 'openff/nagl/nn/_base.py' 2026-03-05T11:48:03,933 adding 'openff/nagl/nn/_containers.py' 2026-03-05T11:48:03,936 adding 'openff/nagl/nn/_dataset.py' 2026-03-05T11:48:03,938 adding 'openff/nagl/nn/_models.py' 2026-03-05T11:48:03,940 adding 'openff/nagl/nn/_pooling.py' 2026-03-05T11:48:03,941 adding 'openff/nagl/nn/_sequential.py' 2026-03-05T11:48:03,942 adding 'openff/nagl/nn/activation.py' 2026-03-05T11:48:03,944 adding 'openff/nagl/nn/postprocess.py' 2026-03-05T11:48:03,946 adding 'openff/nagl/nn/gcn/__init__.py' 2026-03-05T11:48:03,947 adding 'openff/nagl/nn/gcn/_base.py' 2026-03-05T11:48:03,949 adding 'openff/nagl/nn/gcn/_function.py' 2026-03-05T11:48:03,950 adding 'openff/nagl/nn/gcn/_gin.py' 2026-03-05T11:48:03,952 adding 'openff/nagl/nn/gcn/_sage.py' 2026-03-05T11:48:03,954 adding 'openff/nagl/toolkits/__init__.py' 2026-03-05T11:48:03,955 adding 'openff/nagl/toolkits/_base.py' 2026-03-05T11:48:03,957 adding 'openff/nagl/toolkits/openeye.py' 2026-03-05T11:48:03,961 adding 'openff/nagl/toolkits/openff.py' 2026-03-05T11:48:03,963 adding 'openff/nagl/toolkits/rdkit.py' 2026-03-05T11:48:03,965 adding 'openff/nagl/toolkits/registry.py' 2026-03-05T11:48:03,966 adding 'openff/nagl/training/__init__.py' 2026-03-05T11:48:03,968 adding 'openff/nagl/training/loss.py' 2026-03-05T11:48:03,970 adding 'openff/nagl/training/metrics.py' 2026-03-05T11:48:03,971 adding 'openff/nagl/training/training.py' 2026-03-05T11:48:03,973 adding 'openff/nagl/training/templates/__init__.py' 2026-03-05T11:48:03,974 adding 'openff/nagl/training/templates/files.py' 2026-03-05T11:48:03,976 adding 'openff/nagl/utils/__init__.py' 2026-03-05T11:48:03,977 adding 'openff/nagl/utils/_hash.py' 2026-03-05T11:48:03,979 adding 'openff/nagl/utils/_parallelization.py' 2026-03-05T11:48:03,980 adding 'openff/nagl/utils/_time.py' 2026-03-05T11:48:03,981 adding 'openff/nagl/utils/_types.py' 2026-03-05T11:48:03,983 adding 'openff/nagl/utils/_utils.py' 2026-03-05T11:48:03,987 adding 'openff/nagl/utils/resonance.py' 2026-03-05T11:48:03,988 adding 'acellera_openff_nagl-0.5.4.dist-info/METADATA' 2026-03-05T11:48:03,989 adding 'acellera_openff_nagl-0.5.4.dist-info/WHEEL' 2026-03-05T11:48:03,990 adding 'acellera_openff_nagl-0.5.4.dist-info/top_level.txt' 2026-03-05T11:48:03,992 adding 'acellera_openff_nagl-0.5.4.dist-info/RECORD' 2026-03-05T11:48:03,995 removing build/bdist.linux-armv7l/wheel 2026-03-05T11:48:04,116 Building wheel for acellera-openff-nagl (pyproject.toml): finished with status 'done' 2026-03-05T11:48:04,123 Created wheel for acellera-openff-nagl: filename=acellera_openff_nagl-0.5.4-py3-none-any.whl size=117681 sha256=63803985dc9bc138b54c72ec3e48a5cbd6ac1fe2068acc4b0734d93de2d574e1 2026-03-05T11:48:04,124 Stored in directory: /tmp/pip-ephem-wheel-cache-kz58qchi/wheels/b5/1b/02/f935ba0580626ead4b9d8fa56d110e174d067356d284f2f383 2026-03-05T11:48:04,139 Successfully built acellera-openff-nagl 2026-03-05T11:48:04,145 Removed build tracker: '/tmp/pip-build-tracker-3iutpbqs'