2025-02-12T18:33:40,775 Created temporary directory: /tmp/pip-build-tracker-7w4cir7o 2025-02-12T18:33:40,777 Initialized build tracking at /tmp/pip-build-tracker-7w4cir7o 2025-02-12T18:33:40,777 Created build tracker: /tmp/pip-build-tracker-7w4cir7o 2025-02-12T18:33:40,777 Entered build tracker: /tmp/pip-build-tracker-7w4cir7o 2025-02-12T18:33:40,778 Created temporary directory: /tmp/pip-wheel-5u8ggjww 2025-02-12T18:33:40,782 Created temporary directory: /tmp/pip-ephem-wheel-cache-ykd6qjnq 2025-02-12T18:33:40,826 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-02-12T18:33:40,829 2 location(s) to search for versions of polyatomic-complexes: 2025-02-12T18:33:40,829 * https://pypi.org/simple/polyatomic-complexes/ 2025-02-12T18:33:40,829 * https://www.piwheels.org/simple/polyatomic-complexes/ 2025-02-12T18:33:40,830 Fetching project page and analyzing links: https://pypi.org/simple/polyatomic-complexes/ 2025-02-12T18:33:40,830 Getting page https://pypi.org/simple/polyatomic-complexes/ 2025-02-12T18:33:40,832 Found index url https://pypi.org/simple/ 2025-02-12T18:33:41,053 Fetched page https://pypi.org/simple/polyatomic-complexes/ as application/vnd.pypi.simple.v1+json 2025-02-12T18:33:41,057 Skipping link: No binaries permitted for polyatomic-complexes: https://files.pythonhosted.org/packages/b8/7f/aa63fdcde4b62d550b25224f5cedc321dfd4e728e189b26f38bccdb12fc4/polyatomic_complexes-0.0.8-py3-none-any.whl (from https://pypi.org/simple/polyatomic-complexes/) (requires-python:>=3.11.6) 2025-02-12T18:33:41,058 Link requires a different Python (3.11.2 not in: '>=3.11.6'): https://files.pythonhosted.org/packages/45/26/20e9322ac55a46c7c80d6f40f5797fabbf1c165b1553b5c84cea78971233/polyatomic_complexes-0.0.8.tar.gz (from https://pypi.org/simple/polyatomic-complexes/) (requires-python:>=3.11.6) 2025-02-12T18:33:41,058 Skipping link: 0.0.8 Requires-Python >=3.11.6: https://files.pythonhosted.org/packages/45/26/20e9322ac55a46c7c80d6f40f5797fabbf1c165b1553b5c84cea78971233/polyatomic_complexes-0.0.8.tar.gz (from https://pypi.org/simple/polyatomic-complexes/) (requires-python:>=3.11.6) 2025-02-12T18:33:41,059 Skipping link: No binaries permitted for polyatomic-complexes: https://files.pythonhosted.org/packages/ce/60/621f50f11c82cf93ae3d0b87349e128275c787e9e5505f62ae2906774fc7/polyatomic_complexes-1.0.1-py3-none-any.whl (from https://pypi.org/simple/polyatomic-complexes/) 2025-02-12T18:33:41,059 Found link https://files.pythonhosted.org/packages/13/19/9c1cc2648f107e3b4a8b00e64f3d4a1e0af00cd2e821fc54912ac814c9bf/polyatomic_complexes-1.0.1.tar.gz (from https://pypi.org/simple/polyatomic-complexes/), version: 1.0.1 2025-02-12T18:33:41,060 Skipping link: No binaries permitted for polyatomic-complexes: https://files.pythonhosted.org/packages/e2/83/3cf48feb23bd8df32870814aa464f1ededcae8217c2b747de9053687d390/polyatomic_complexes-1.0.5-py3-none-any.whl (from https://pypi.org/simple/polyatomic-complexes/) 2025-02-12T18:33:41,061 Found link https://files.pythonhosted.org/packages/b6/af/31abe3497fe3c17d51d11e8f0e1768058f75424e95116d54a3687445369a/polyatomic_complexes-1.0.5.tar.gz (from https://pypi.org/simple/polyatomic-complexes/), version: 1.0.5 2025-02-12T18:33:41,061 Skipping link: No binaries permitted for polyatomic-complexes: https://files.pythonhosted.org/packages/89/57/cc07c696cae734bc8c482aaac5c8a884bd6459ba63ee46a575ec6ffa7c11/polyatomic_complexes-1.0.7-py3-none-any.whl (from https://pypi.org/simple/polyatomic-complexes/) 2025-02-12T18:33:41,062 Found link https://files.pythonhosted.org/packages/9b/a3/53e196525799acdbdb38823177faa3eab37b5d696cc6a028a54d82c69ce0/polyatomic_complexes-1.0.7.tar.gz (from https://pypi.org/simple/polyatomic-complexes/), version: 1.0.7 2025-02-12T18:33:41,063 Skipping link: No binaries permitted for polyatomic-complexes: https://files.pythonhosted.org/packages/40/6c/8800de4c8f4ec584229cb1e74d24bec91f06058dbe306768bb62f755589c/polyatomic_complexes-1.0.8-py3-none-any.whl (from https://pypi.org/simple/polyatomic-complexes/) 2025-02-12T18:33:41,063 Found link https://files.pythonhosted.org/packages/e7/d6/3d14d4b46c1400a8396ed8dfc4d20ad42f5225a153e5af5ced7a383b0ba0/polyatomic_complexes-1.0.8.tar.gz (from https://pypi.org/simple/polyatomic-complexes/), version: 1.0.8 2025-02-12T18:33:41,064 Fetching project page and analyzing links: https://www.piwheels.org/simple/polyatomic-complexes/ 2025-02-12T18:33:41,065 Getting page https://www.piwheels.org/simple/polyatomic-complexes/ 2025-02-12T18:33:41,066 Found index url https://www.piwheels.org/simple/ 2025-02-12T18:33:41,227 Fetched page https://www.piwheels.org/simple/polyatomic-complexes/ as text/html 2025-02-12T18:33:41,229 Skipping link: No binaries permitted for polyatomic-complexes: https://www.piwheels.org/simple/polyatomic-complexes/polyatomic_complexes-1.0.7-py3-none-any.whl#sha256=03d84d53a2fea691370e2c5453c50a2df5751bf729c0ea1d44a4f2b725f8222f (from https://www.piwheels.org/simple/polyatomic-complexes/) 2025-02-12T18:33:41,230 Skipping link: No binaries permitted for polyatomic-complexes: https://www.piwheels.org/simple/polyatomic-complexes/polyatomic_complexes-1.0.5-py3-none-any.whl#sha256=19c5fbced97d90add4ed6de87b24a303156affe83cbd65b47254d5abf343bf34 (from https://www.piwheels.org/simple/polyatomic-complexes/) 2025-02-12T18:33:41,230 Skipping link: No binaries permitted for polyatomic-complexes: https://www.piwheels.org/simple/polyatomic-complexes/polyatomic_complexes-1.0.1-py3-none-any.whl#sha256=ac641c89e07b745bfb451e1fb149e75de414c86db7de4147aaab370aa34056d8 (from https://www.piwheels.org/simple/polyatomic-complexes/) 2025-02-12T18:33:41,231 Skipping link: not a file: https://www.piwheels.org/simple/polyatomic-complexes/ 2025-02-12T18:33:41,231 Skipping link: not a file: https://pypi.org/simple/polyatomic-complexes/ 2025-02-12T18:33:41,250 Given no hashes to check 1 links for project 'polyatomic-complexes': discarding no candidates 2025-02-12T18:33:41,252 Collecting polyatomic-complexes==1.0.8 2025-02-12T18:33:41,255 Created temporary directory: /tmp/pip-unpack-445sm0s3 2025-02-12T18:33:41,472 Downloading polyatomic_complexes-1.0.8.tar.gz (177 kB) 2025-02-12T18:33:41,670 Added polyatomic-complexes==1.0.8 from https://files.pythonhosted.org/packages/e7/d6/3d14d4b46c1400a8396ed8dfc4d20ad42f5225a153e5af5ced7a383b0ba0/polyatomic_complexes-1.0.8.tar.gz to build tracker '/tmp/pip-build-tracker-7w4cir7o' 2025-02-12T18:33:41,671 Running setup.py (path:/tmp/pip-wheel-5u8ggjww/polyatomic-complexes_3f1cafdb746d4b9bafb61c825a609cd3/setup.py) egg_info for package polyatomic-complexes 2025-02-12T18:33:41,673 Created temporary directory: /tmp/pip-pip-egg-info-25hz7yqr 2025-02-12T18:33:41,673 Preparing metadata (setup.py): started 2025-02-12T18:33:41,674 Running command python setup.py egg_info 2025-02-12T18:33:42,760 running egg_info 2025-02-12T18:33:42,787 creating /tmp/pip-pip-egg-info-25hz7yqr/polyatomic_complexes.egg-info 2025-02-12T18:33:42,789 writing /tmp/pip-pip-egg-info-25hz7yqr/polyatomic_complexes.egg-info/PKG-INFO 2025-02-12T18:33:42,793 writing dependency_links to /tmp/pip-pip-egg-info-25hz7yqr/polyatomic_complexes.egg-info/dependency_links.txt 2025-02-12T18:33:42,796 writing requirements to /tmp/pip-pip-egg-info-25hz7yqr/polyatomic_complexes.egg-info/requires.txt 2025-02-12T18:33:42,797 writing top-level names to /tmp/pip-pip-egg-info-25hz7yqr/polyatomic_complexes.egg-info/top_level.txt 2025-02-12T18:33:42,798 writing manifest file '/tmp/pip-pip-egg-info-25hz7yqr/polyatomic_complexes.egg-info/SOURCES.txt' 2025-02-12T18:33:42,893 reading manifest file '/tmp/pip-pip-egg-info-25hz7yqr/polyatomic_complexes.egg-info/SOURCES.txt' 2025-02-12T18:33:42,894 reading manifest template 'MANIFEST.in' 2025-02-12T18:33:42,896 warning: no files found matching 'polyatomic_complexes/dataset/construct/atom_lookup.pkl' 2025-02-12T18:33:42,897 warning: no files found matching 'polyatomic_complexes/dataset/construct/*.csv' 2025-02-12T18:33:42,898 warning: no previously-included files found matching 'polyatomic_complexes/dataset/mp_matbench_jdft2d/jdft2d.csv' 2025-02-12T18:33:42,899 warning: no previously-included files found matching 'polyatomic_complexes/dataset/materials_project/materials_data.csv' 2025-02-12T18:33:42,900 warning: no previously-included files matching 'polyatomic_complexes/dataset/**/*.pkl' found anywhere in distribution 2025-02-12T18:33:42,901 warning: no previously-included files matching 'polyatomic_complexes/results/*' found anywhere in distribution 2025-02-12T18:33:42,902 warning: no previously-included files matching 'polyatomic_complexes/tests/*' found anywhere in distribution 2025-02-12T18:33:42,903 no previously-included directories found matching '*/__pycache__' 2025-02-12T18:33:42,903 no previously-included directories found matching '.env/*' 2025-02-12T18:33:42,904 no previously-included directories found matching '.github/*' 2025-02-12T18:33:42,904 adding license file 'LICENSE' 2025-02-12T18:33:42,908 writing manifest file '/tmp/pip-pip-egg-info-25hz7yqr/polyatomic_complexes.egg-info/SOURCES.txt' 2025-02-12T18:33:43,017 Preparing metadata (setup.py): finished with status 'done' 2025-02-12T18:33:43,022 Source in /tmp/pip-wheel-5u8ggjww/polyatomic-complexes_3f1cafdb746d4b9bafb61c825a609cd3 has version 1.0.8, which satisfies requirement polyatomic-complexes==1.0.8 from https://files.pythonhosted.org/packages/e7/d6/3d14d4b46c1400a8396ed8dfc4d20ad42f5225a153e5af5ced7a383b0ba0/polyatomic_complexes-1.0.8.tar.gz 2025-02-12T18:33:43,023 Removed polyatomic-complexes==1.0.8 from https://files.pythonhosted.org/packages/e7/d6/3d14d4b46c1400a8396ed8dfc4d20ad42f5225a153e5af5ced7a383b0ba0/polyatomic_complexes-1.0.8.tar.gz from build tracker '/tmp/pip-build-tracker-7w4cir7o' 2025-02-12T18:33:43,036 Created temporary directory: /tmp/pip-unpack-0ecwj7xo 2025-02-12T18:33:43,037 Created temporary directory: /tmp/pip-unpack-odcgwjo6 2025-02-12T18:33:43,037 Building wheels for collected packages: polyatomic-complexes 2025-02-12T18:33:43,042 Created temporary directory: /tmp/pip-wheel-krpl_fju 2025-02-12T18:33:43,043 Building wheel for polyatomic-complexes (setup.py): started 2025-02-12T18:33:43,044 Destination directory: /tmp/pip-wheel-krpl_fju 2025-02-12T18:33:43,045 Running command python setup.py bdist_wheel 2025-02-12T18:33:44,079 running bdist_wheel 2025-02-12T18:33:44,209 running build 2025-02-12T18:33:44,210 running build_py 2025-02-12T18:33:44,239 creating build/lib/polyatomic_complexes 2025-02-12T18:33:44,242 copying polyatomic_complexes/__init__.py -> build/lib/polyatomic_complexes 2025-02-12T18:33:44,245 creating build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,247 copying polyatomic_complexes/experiments/materials_project_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,249 copying polyatomic_complexes/experiments/gaussian_process.py -> build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,252 copying polyatomic_complexes/experiments/load_process_data.py -> build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,255 copying polyatomic_complexes/experiments/mp_matbench_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,258 copying polyatomic_complexes/experiments/freesolv_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,261 copying polyatomic_complexes/experiments/metrics.py -> build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,263 copying polyatomic_complexes/experiments/photoswitches_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,266 copying polyatomic_complexes/experiments/esol_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,268 copying polyatomic_complexes/experiments/jdft2d_matbench_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,271 copying polyatomic_complexes/experiments/lipophilicity_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,274 copying polyatomic_complexes/experiments/__init__.py -> build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,276 copying polyatomic_complexes/experiments/kernels.py -> build/lib/polyatomic_complexes/experiments 2025-02-12T18:33:44,279 creating build/lib/polyatomic_complexes/src 2025-02-12T18:33:44,281 copying polyatomic_complexes/src/__init__.py -> build/lib/polyatomic_complexes/src 2025-02-12T18:33:44,283 creating build/lib/polyatomic_complexes/src/experiment 2025-02-12T18:33:44,285 copying polyatomic_complexes/src/experiment/process_esol.py -> build/lib/polyatomic_complexes/src/experiment 2025-02-12T18:33:44,287 copying polyatomic_complexes/src/experiment/process_photoswitches.py -> build/lib/polyatomic_complexes/src/experiment 2025-02-12T18:33:44,289 copying polyatomic_complexes/src/experiment/process_mp_jdft2d.py -> build/lib/polyatomic_complexes/src/experiment 2025-02-12T18:33:44,292 copying polyatomic_complexes/src/experiment/process_materials_project.py -> build/lib/polyatomic_complexes/src/experiment 2025-02-12T18:33:44,294 copying polyatomic_complexes/src/experiment/process_lipophilicity.py -> build/lib/polyatomic_complexes/src/experiment 2025-02-12T18:33:44,296 copying polyatomic_complexes/src/experiment/process_freesolv.py -> build/lib/polyatomic_complexes/src/experiment 2025-02-12T18:33:44,298 copying polyatomic_complexes/src/experiment/__init__.py -> build/lib/polyatomic_complexes/src/experiment 2025-02-12T18:33:44,301 creating build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,302 copying polyatomic_complexes/src/complexes/space_utils.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,306 copying polyatomic_complexes/src/complexes/build_atom_lookup.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,308 copying polyatomic_complexes/src/complexes/general_utils.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,310 copying polyatomic_complexes/src/complexes/quantum_complex.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,313 copying polyatomic_complexes/src/complexes/polyatomic_complex.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,315 copying polyatomic_complexes/src/complexes/quantum_theor_complex.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,318 copying polyatomic_complexes/src/complexes/abstract_complex.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,321 copying polyatomic_complexes/src/complexes/polyatomic_complex_cls.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,323 copying polyatomic_complexes/src/complexes/force_complex.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,325 copying polyatomic_complexes/src/complexes/core_utils.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,327 copying polyatomic_complexes/src/complexes/__init__.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,329 copying polyatomic_complexes/src/complexes/atomic_complex.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,332 copying polyatomic_complexes/src/complexes/polyatomic_geometry.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,334 copying polyatomic_complexes/src/complexes/building_blocks.py -> build/lib/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,336 running egg_info 2025-02-12T18:33:44,366 writing polyatomic_complexes.egg-info/PKG-INFO 2025-02-12T18:33:44,370 writing dependency_links to polyatomic_complexes.egg-info/dependency_links.txt 2025-02-12T18:33:44,372 writing requirements to polyatomic_complexes.egg-info/requires.txt 2025-02-12T18:33:44,373 writing top-level names to polyatomic_complexes.egg-info/top_level.txt 2025-02-12T18:33:44,409 reading manifest file 'polyatomic_complexes.egg-info/SOURCES.txt' 2025-02-12T18:33:44,413 reading manifest template 'MANIFEST.in' 2025-02-12T18:33:44,414 warning: no files found matching 'polyatomic_complexes/dataset/construct/atom_lookup.pkl' 2025-02-12T18:33:44,415 warning: no files found matching 'polyatomic_complexes/dataset/construct/*.csv' 2025-02-12T18:33:44,417 warning: no previously-included files found matching 'polyatomic_complexes/dataset/mp_matbench_jdft2d/jdft2d.csv' 2025-02-12T18:33:44,418 warning: no previously-included files found matching 'polyatomic_complexes/dataset/materials_project/materials_data.csv' 2025-02-12T18:33:44,419 warning: no previously-included files matching 'polyatomic_complexes/dataset/**/*.pkl' found anywhere in distribution 2025-02-12T18:33:44,420 warning: no previously-included files matching 'polyatomic_complexes/results/*' found anywhere in distribution 2025-02-12T18:33:44,421 warning: no previously-included files matching 'polyatomic_complexes/tests/*' found anywhere in distribution 2025-02-12T18:33:44,422 no previously-included directories found matching '*/__pycache__' 2025-02-12T18:33:44,423 no previously-included directories found matching '.env/*' 2025-02-12T18:33:44,424 no previously-included directories found matching '.github/*' 2025-02-12T18:33:44,425 adding license file 'LICENSE' 2025-02-12T18:33:44,429 writing manifest file 'polyatomic_complexes.egg-info/SOURCES.txt' 2025-02-12T18:33:44,432 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'polyatomic_complexes.dataset.construct' is absent from the `packages` configuration. 2025-02-12T18:33:44,432 !! 2025-02-12T18:33:44,434 ******************************************************************************** 2025-02-12T18:33:44,434 ############################ 2025-02-12T18:33:44,435 # Package would be ignored # 2025-02-12T18:33:44,436 ############################ 2025-02-12T18:33:44,437 Python recognizes 'polyatomic_complexes.dataset.construct' as an importable package[^1], 2025-02-12T18:33:44,437 but it is absent from setuptools' `packages` configuration. 2025-02-12T18:33:44,439 This leads to an ambiguous overall configuration. If you want to distribute this 2025-02-12T18:33:44,440 package, please make sure that 'polyatomic_complexes.dataset.construct' is explicitly added 2025-02-12T18:33:44,441 to the `packages` configuration field. 2025-02-12T18:33:44,442 Alternatively, you can also rely on setuptools' discovery methods 2025-02-12T18:33:44,442 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-02-12T18:33:44,443 instead of `find_packages(...)`/`find:`). 2025-02-12T18:33:44,444 You can read more about "package discovery" on setuptools documentation page: 2025-02-12T18:33:44,445 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-02-12T18:33:44,446 If you don't want 'polyatomic_complexes.dataset.construct' to be distributed and are 2025-02-12T18:33:44,446 already explicitly excluding 'polyatomic_complexes.dataset.construct' via 2025-02-12T18:33:44,447 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-02-12T18:33:44,447 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-02-12T18:33:44,448 combination with a more fine grained `package-data` configuration. 2025-02-12T18:33:44,449 You can read more about "package data files" on setuptools documentation page: 2025-02-12T18:33:44,450 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-02-12T18:33:44,452 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-02-12T18:33:44,452 even if it does not contain any `.py` files. 2025-02-12T18:33:44,453 On the other hand, currently there is no concept of package data 2025-02-12T18:33:44,453 directory, all directories are treated like packages. 2025-02-12T18:33:44,454 ******************************************************************************** 2025-02-12T18:33:44,455 !! 2025-02-12T18:33:44,455 check.warn(importable) 2025-02-12T18:33:44,456 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'polyatomic_complexes.dataset.esol' is absent from the `packages` configuration. 2025-02-12T18:33:44,457 !! 2025-02-12T18:33:44,458 ******************************************************************************** 2025-02-12T18:33:44,458 ############################ 2025-02-12T18:33:44,459 # Package would be ignored # 2025-02-12T18:33:44,459 ############################ 2025-02-12T18:33:44,459 Python recognizes 'polyatomic_complexes.dataset.esol' as an importable package[^1], 2025-02-12T18:33:44,460 but it is absent from setuptools' `packages` configuration. 2025-02-12T18:33:44,461 This leads to an ambiguous overall configuration. If you want to distribute this 2025-02-12T18:33:44,462 package, please make sure that 'polyatomic_complexes.dataset.esol' is explicitly added 2025-02-12T18:33:44,462 to the `packages` configuration field. 2025-02-12T18:33:44,463 Alternatively, you can also rely on setuptools' discovery methods 2025-02-12T18:33:44,463 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-02-12T18:33:44,464 instead of `find_packages(...)`/`find:`). 2025-02-12T18:33:44,465 You can read more about "package discovery" on setuptools documentation page: 2025-02-12T18:33:44,466 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-02-12T18:33:44,467 If you don't want 'polyatomic_complexes.dataset.esol' to be distributed and are 2025-02-12T18:33:44,467 already explicitly excluding 'polyatomic_complexes.dataset.esol' via 2025-02-12T18:33:44,468 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-02-12T18:33:44,468 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-02-12T18:33:44,469 combination with a more fine grained `package-data` configuration. 2025-02-12T18:33:44,470 You can read more about "package data files" on setuptools documentation page: 2025-02-12T18:33:44,471 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-02-12T18:33:44,472 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-02-12T18:33:44,473 even if it does not contain any `.py` files. 2025-02-12T18:33:44,473 On the other hand, currently there is no concept of package data 2025-02-12T18:33:44,474 directory, all directories are treated like packages. 2025-02-12T18:33:44,474 ******************************************************************************** 2025-02-12T18:33:44,476 !! 2025-02-12T18:33:44,476 check.warn(importable) 2025-02-12T18:33:44,477 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'polyatomic_complexes.dataset.free_solv' is absent from the `packages` configuration. 2025-02-12T18:33:44,477 !! 2025-02-12T18:33:44,479 ******************************************************************************** 2025-02-12T18:33:44,479 ############################ 2025-02-12T18:33:44,480 # Package would be ignored # 2025-02-12T18:33:44,480 ############################ 2025-02-12T18:33:44,481 Python recognizes 'polyatomic_complexes.dataset.free_solv' as an importable package[^1], 2025-02-12T18:33:44,481 but it is absent from setuptools' `packages` configuration. 2025-02-12T18:33:44,482 This leads to an ambiguous overall configuration. If you want to distribute this 2025-02-12T18:33:44,483 package, please make sure that 'polyatomic_complexes.dataset.free_solv' is explicitly added 2025-02-12T18:33:44,483 to the `packages` configuration field. 2025-02-12T18:33:44,485 Alternatively, you can also rely on setuptools' discovery methods 2025-02-12T18:33:44,485 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-02-12T18:33:44,486 instead of `find_packages(...)`/`find:`). 2025-02-12T18:33:44,487 You can read more about "package discovery" on setuptools documentation page: 2025-02-12T18:33:44,488 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-02-12T18:33:44,489 If you don't want 'polyatomic_complexes.dataset.free_solv' to be distributed and are 2025-02-12T18:33:44,489 already explicitly excluding 'polyatomic_complexes.dataset.free_solv' via 2025-02-12T18:33:44,489 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-02-12T18:33:44,490 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-02-12T18:33:44,490 combination with a more fine grained `package-data` configuration. 2025-02-12T18:33:44,491 You can read more about "package data files" on setuptools documentation page: 2025-02-12T18:33:44,492 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-02-12T18:33:44,494 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-02-12T18:33:44,494 even if it does not contain any `.py` files. 2025-02-12T18:33:44,495 On the other hand, currently there is no concept of package data 2025-02-12T18:33:44,495 directory, all directories are treated like packages. 2025-02-12T18:33:44,495 ******************************************************************************** 2025-02-12T18:33:44,497 !! 2025-02-12T18:33:44,497 check.warn(importable) 2025-02-12T18:33:44,498 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'polyatomic_complexes.dataset.lipophilicity' is absent from the `packages` configuration. 2025-02-12T18:33:44,498 !! 2025-02-12T18:33:44,499 ******************************************************************************** 2025-02-12T18:33:44,500 ############################ 2025-02-12T18:33:44,500 # Package would be ignored # 2025-02-12T18:33:44,501 ############################ 2025-02-12T18:33:44,501 Python recognizes 'polyatomic_complexes.dataset.lipophilicity' as an importable package[^1], 2025-02-12T18:33:44,502 but it is absent from setuptools' `packages` configuration. 2025-02-12T18:33:44,503 This leads to an ambiguous overall configuration. If you want to distribute this 2025-02-12T18:33:44,504 package, please make sure that 'polyatomic_complexes.dataset.lipophilicity' is explicitly added 2025-02-12T18:33:44,504 to the `packages` configuration field. 2025-02-12T18:33:44,505 Alternatively, you can also rely on setuptools' discovery methods 2025-02-12T18:33:44,506 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-02-12T18:33:44,507 instead of `find_packages(...)`/`find:`). 2025-02-12T18:33:44,508 You can read more about "package discovery" on setuptools documentation page: 2025-02-12T18:33:44,509 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-02-12T18:33:44,510 If you don't want 'polyatomic_complexes.dataset.lipophilicity' to be distributed and are 2025-02-12T18:33:44,511 already explicitly excluding 'polyatomic_complexes.dataset.lipophilicity' via 2025-02-12T18:33:44,511 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-02-12T18:33:44,512 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-02-12T18:33:44,512 combination with a more fine grained `package-data` configuration. 2025-02-12T18:33:44,513 You can read more about "package data files" on setuptools documentation page: 2025-02-12T18:33:44,515 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-02-12T18:33:44,517 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-02-12T18:33:44,517 even if it does not contain any `.py` files. 2025-02-12T18:33:44,518 On the other hand, currently there is no concept of package data 2025-02-12T18:33:44,519 directory, all directories are treated like packages. 2025-02-12T18:33:44,519 ******************************************************************************** 2025-02-12T18:33:44,520 !! 2025-02-12T18:33:44,520 check.warn(importable) 2025-02-12T18:33:44,521 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'polyatomic_complexes.dataset.photoswitches' is absent from the `packages` configuration. 2025-02-12T18:33:44,521 !! 2025-02-12T18:33:44,522 ******************************************************************************** 2025-02-12T18:33:44,522 ############################ 2025-02-12T18:33:44,523 # Package would be ignored # 2025-02-12T18:33:44,524 ############################ 2025-02-12T18:33:44,524 Python recognizes 'polyatomic_complexes.dataset.photoswitches' as an importable package[^1], 2025-02-12T18:33:44,525 but it is absent from setuptools' `packages` configuration. 2025-02-12T18:33:44,526 This leads to an ambiguous overall configuration. If you want to distribute this 2025-02-12T18:33:44,526 package, please make sure that 'polyatomic_complexes.dataset.photoswitches' is explicitly added 2025-02-12T18:33:44,527 to the `packages` configuration field. 2025-02-12T18:33:44,527 Alternatively, you can also rely on setuptools' discovery methods 2025-02-12T18:33:44,528 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-02-12T18:33:44,529 instead of `find_packages(...)`/`find:`). 2025-02-12T18:33:44,530 You can read more about "package discovery" on setuptools documentation page: 2025-02-12T18:33:44,531 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-02-12T18:33:44,532 If you don't want 'polyatomic_complexes.dataset.photoswitches' to be distributed and are 2025-02-12T18:33:44,532 already explicitly excluding 'polyatomic_complexes.dataset.photoswitches' via 2025-02-12T18:33:44,533 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-02-12T18:33:44,533 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-02-12T18:33:44,534 combination with a more fine grained `package-data` configuration. 2025-02-12T18:33:44,535 You can read more about "package data files" on setuptools documentation page: 2025-02-12T18:33:44,536 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-02-12T18:33:44,538 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-02-12T18:33:44,538 even if it does not contain any `.py` files. 2025-02-12T18:33:44,539 On the other hand, currently there is no concept of package data 2025-02-12T18:33:44,539 directory, all directories are treated like packages. 2025-02-12T18:33:44,540 ******************************************************************************** 2025-02-12T18:33:44,541 !! 2025-02-12T18:33:44,542 check.warn(importable) 2025-02-12T18:33:44,542 creating build/lib/polyatomic_complexes/dataset/construct 2025-02-12T18:33:44,543 copying polyatomic_complexes/dataset/construct/atomic_mass.json -> build/lib/polyatomic_complexes/dataset/construct 2025-02-12T18:33:44,543 copying polyatomic_complexes/dataset/construct/basis_sets.json -> build/lib/polyatomic_complexes/dataset/construct 2025-02-12T18:33:44,544 copying polyatomic_complexes/dataset/construct/basis_sets_complex.json -> build/lib/polyatomic_complexes/dataset/construct 2025-02-12T18:33:44,544 copying polyatomic_complexes/dataset/construct/lookup_map.json -> build/lib/polyatomic_complexes/dataset/construct 2025-02-12T18:33:44,545 creating build/lib/polyatomic_complexes/dataset/esol 2025-02-12T18:33:44,546 copying polyatomic_complexes/dataset/esol/ESOL.csv -> build/lib/polyatomic_complexes/dataset/esol 2025-02-12T18:33:44,546 creating build/lib/polyatomic_complexes/dataset/free_solv 2025-02-12T18:33:44,547 copying polyatomic_complexes/dataset/free_solv/FreeSolv.csv -> build/lib/polyatomic_complexes/dataset/free_solv 2025-02-12T18:33:44,547 creating build/lib/polyatomic_complexes/dataset/lipophilicity 2025-02-12T18:33:44,548 copying polyatomic_complexes/dataset/lipophilicity/Lipophilicity.csv -> build/lib/polyatomic_complexes/dataset/lipophilicity 2025-02-12T18:33:44,548 creating build/lib/polyatomic_complexes/dataset/photoswitches 2025-02-12T18:33:44,549 copying polyatomic_complexes/dataset/photoswitches/photoswitches.csv -> build/lib/polyatomic_complexes/dataset/photoswitches 2025-02-12T18:33:44,549 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2025-02-12T18:33:44,550 !! 2025-02-12T18:33:44,550 ******************************************************************************** 2025-02-12T18:33:44,551 Please avoid running ``setup.py`` directly. 2025-02-12T18:33:44,551 Instead, use pypa/build, pypa/installer or other 2025-02-12T18:33:44,552 standards-based tools. 2025-02-12T18:33:44,553 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2025-02-12T18:33:44,553 ******************************************************************************** 2025-02-12T18:33:44,554 !! 2025-02-12T18:33:44,554 self.initialize_options() 2025-02-12T18:33:44,567 installing to build/bdist.linux-armv7l/wheel 2025-02-12T18:33:44,568 running install 2025-02-12T18:33:44,593 running install_lib 2025-02-12T18:33:44,623 creating build/bdist.linux-armv7l/wheel 2025-02-12T18:33:44,625 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes 2025-02-12T18:33:44,627 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/dataset 2025-02-12T18:33:44,629 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/dataset/construct 2025-02-12T18:33:44,630 copying build/lib/polyatomic_complexes/dataset/construct/basis_sets.json -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/construct 2025-02-12T18:33:44,632 copying build/lib/polyatomic_complexes/dataset/construct/lookup_map.json -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/construct 2025-02-12T18:33:44,634 copying build/lib/polyatomic_complexes/dataset/construct/atomic_mass.json -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/construct 2025-02-12T18:33:44,637 copying build/lib/polyatomic_complexes/dataset/construct/basis_sets_complex.json -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/construct 2025-02-12T18:33:44,639 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/dataset/photoswitches 2025-02-12T18:33:44,640 copying build/lib/polyatomic_complexes/dataset/photoswitches/photoswitches.csv -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/photoswitches 2025-02-12T18:33:44,644 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/dataset/free_solv 2025-02-12T18:33:44,646 copying build/lib/polyatomic_complexes/dataset/free_solv/FreeSolv.csv -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/free_solv 2025-02-12T18:33:44,649 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/dataset/esol 2025-02-12T18:33:44,650 copying build/lib/polyatomic_complexes/dataset/esol/ESOL.csv -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/esol 2025-02-12T18:33:44,655 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/dataset/lipophilicity 2025-02-12T18:33:44,656 copying build/lib/polyatomic_complexes/dataset/lipophilicity/Lipophilicity.csv -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/lipophilicity 2025-02-12T18:33:44,664 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/experiments 2025-02-12T18:33:44,666 copying build/lib/polyatomic_complexes/experiments/materials_project_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-02-12T18:33:44,669 copying build/lib/polyatomic_complexes/experiments/gaussian_process.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-02-12T18:33:44,672 copying build/lib/polyatomic_complexes/experiments/load_process_data.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-02-12T18:33:44,675 copying build/lib/polyatomic_complexes/experiments/mp_matbench_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-02-12T18:33:44,677 copying build/lib/polyatomic_complexes/experiments/freesolv_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-02-12T18:33:44,680 copying build/lib/polyatomic_complexes/experiments/metrics.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-02-12T18:33:44,682 copying build/lib/polyatomic_complexes/experiments/photoswitches_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-02-12T18:33:44,685 copying build/lib/polyatomic_complexes/experiments/esol_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-02-12T18:33:44,688 copying build/lib/polyatomic_complexes/experiments/jdft2d_matbench_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-02-12T18:33:44,690 copying build/lib/polyatomic_complexes/experiments/lipophilicity_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-02-12T18:33:44,693 copying build/lib/polyatomic_complexes/experiments/__init__.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-02-12T18:33:44,695 copying build/lib/polyatomic_complexes/experiments/kernels.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-02-12T18:33:44,698 copying build/lib/polyatomic_complexes/__init__.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes 2025-02-12T18:33:44,700 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/src 2025-02-12T18:33:44,702 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/src/experiment 2025-02-12T18:33:44,704 copying build/lib/polyatomic_complexes/src/experiment/process_esol.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-02-12T18:33:44,707 copying build/lib/polyatomic_complexes/src/experiment/process_photoswitches.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-02-12T18:33:44,710 copying build/lib/polyatomic_complexes/src/experiment/process_mp_jdft2d.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-02-12T18:33:44,712 copying build/lib/polyatomic_complexes/src/experiment/process_materials_project.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-02-12T18:33:44,714 copying build/lib/polyatomic_complexes/src/experiment/process_lipophilicity.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-02-12T18:33:44,716 copying build/lib/polyatomic_complexes/src/experiment/process_freesolv.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-02-12T18:33:44,719 copying build/lib/polyatomic_complexes/src/experiment/__init__.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-02-12T18:33:44,722 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/src/complexes 2025-02-12T18:33:44,723 copying build/lib/polyatomic_complexes/src/complexes/space_utils.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,726 copying build/lib/polyatomic_complexes/src/complexes/build_atom_lookup.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,729 copying build/lib/polyatomic_complexes/src/complexes/general_utils.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,731 copying build/lib/polyatomic_complexes/src/complexes/quantum_complex.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,734 copying build/lib/polyatomic_complexes/src/complexes/polyatomic_complex.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,737 copying build/lib/polyatomic_complexes/src/complexes/quantum_theor_complex.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,741 copying build/lib/polyatomic_complexes/src/complexes/abstract_complex.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,744 copying build/lib/polyatomic_complexes/src/complexes/polyatomic_complex_cls.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,746 copying build/lib/polyatomic_complexes/src/complexes/force_complex.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,749 copying build/lib/polyatomic_complexes/src/complexes/core_utils.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,753 copying build/lib/polyatomic_complexes/src/complexes/__init__.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,755 copying build/lib/polyatomic_complexes/src/complexes/atomic_complex.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,759 copying build/lib/polyatomic_complexes/src/complexes/polyatomic_geometry.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,762 copying build/lib/polyatomic_complexes/src/complexes/building_blocks.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-02-12T18:33:44,765 copying build/lib/polyatomic_complexes/src/__init__.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src 2025-02-12T18:33:44,767 running install_egg_info 2025-02-12T18:33:44,803 Copying polyatomic_complexes.egg-info to build/bdist.linux-armv7l/wheel/./polyatomic_complexes-1.0.8-py3.11.egg-info 2025-02-12T18:33:44,815 running install_scripts 2025-02-12T18:33:44,849 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes-1.0.8.dist-info/WHEEL 2025-02-12T18:33:44,853 creating '/tmp/pip-wheel-krpl_fju/polyatomic_complexes-1.0.8-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-02-12T18:33:44,857 adding 'polyatomic_complexes/__init__.py' 2025-02-12T18:33:44,861 adding 'polyatomic_complexes/dataset/construct/atomic_mass.json' 2025-02-12T18:33:44,863 adding 'polyatomic_complexes/dataset/construct/basis_sets.json' 2025-02-12T18:33:44,865 adding 'polyatomic_complexes/dataset/construct/basis_sets_complex.json' 2025-02-12T18:33:44,868 adding 'polyatomic_complexes/dataset/construct/lookup_map.json' 2025-02-12T18:33:44,898 adding 'polyatomic_complexes/dataset/esol/ESOL.csv' 2025-02-12T18:33:44,908 adding 'polyatomic_complexes/dataset/free_solv/FreeSolv.csv' 2025-02-12T18:33:44,979 adding 'polyatomic_complexes/dataset/lipophilicity/Lipophilicity.csv' 2025-02-12T18:33:44,988 adding 'polyatomic_complexes/dataset/photoswitches/photoswitches.csv' 2025-02-12T18:33:44,991 adding 'polyatomic_complexes/experiments/__init__.py' 2025-02-12T18:33:44,993 adding 'polyatomic_complexes/experiments/esol_experiment.py' 2025-02-12T18:33:44,995 adding 'polyatomic_complexes/experiments/freesolv_experiment.py' 2025-02-12T18:33:44,998 adding 'polyatomic_complexes/experiments/gaussian_process.py' 2025-02-12T18:33:45,000 adding 'polyatomic_complexes/experiments/jdft2d_matbench_experiment.py' 2025-02-12T18:33:45,002 adding 'polyatomic_complexes/experiments/kernels.py' 2025-02-12T18:33:45,004 adding 'polyatomic_complexes/experiments/lipophilicity_experiment.py' 2025-02-12T18:33:45,007 adding 'polyatomic_complexes/experiments/load_process_data.py' 2025-02-12T18:33:45,009 adding 'polyatomic_complexes/experiments/materials_project_experiment.py' 2025-02-12T18:33:45,011 adding 'polyatomic_complexes/experiments/metrics.py' 2025-02-12T18:33:45,013 adding 'polyatomic_complexes/experiments/mp_matbench_experiment.py' 2025-02-12T18:33:45,015 adding 'polyatomic_complexes/experiments/photoswitches_experiment.py' 2025-02-12T18:33:45,018 adding 'polyatomic_complexes/src/__init__.py' 2025-02-12T18:33:45,020 adding 'polyatomic_complexes/src/complexes/__init__.py' 2025-02-12T18:33:45,023 adding 'polyatomic_complexes/src/complexes/abstract_complex.py' 2025-02-12T18:33:45,025 adding 'polyatomic_complexes/src/complexes/atomic_complex.py' 2025-02-12T18:33:45,027 adding 'polyatomic_complexes/src/complexes/build_atom_lookup.py' 2025-02-12T18:33:45,029 adding 'polyatomic_complexes/src/complexes/building_blocks.py' 2025-02-12T18:33:45,031 adding 'polyatomic_complexes/src/complexes/core_utils.py' 2025-02-12T18:33:45,033 adding 'polyatomic_complexes/src/complexes/force_complex.py' 2025-02-12T18:33:45,035 adding 'polyatomic_complexes/src/complexes/general_utils.py' 2025-02-12T18:33:45,038 adding 'polyatomic_complexes/src/complexes/polyatomic_complex.py' 2025-02-12T18:33:45,039 adding 'polyatomic_complexes/src/complexes/polyatomic_complex_cls.py' 2025-02-12T18:33:45,041 adding 'polyatomic_complexes/src/complexes/polyatomic_geometry.py' 2025-02-12T18:33:45,044 adding 'polyatomic_complexes/src/complexes/quantum_complex.py' 2025-02-12T18:33:45,048 adding 'polyatomic_complexes/src/complexes/quantum_theor_complex.py' 2025-02-12T18:33:45,051 adding 'polyatomic_complexes/src/complexes/space_utils.py' 2025-02-12T18:33:45,054 adding 'polyatomic_complexes/src/experiment/__init__.py' 2025-02-12T18:33:45,055 adding 'polyatomic_complexes/src/experiment/process_esol.py' 2025-02-12T18:33:45,057 adding 'polyatomic_complexes/src/experiment/process_freesolv.py' 2025-02-12T18:33:45,059 adding 'polyatomic_complexes/src/experiment/process_lipophilicity.py' 2025-02-12T18:33:45,061 adding 'polyatomic_complexes/src/experiment/process_materials_project.py' 2025-02-12T18:33:45,063 adding 'polyatomic_complexes/src/experiment/process_mp_jdft2d.py' 2025-02-12T18:33:45,065 adding 'polyatomic_complexes/src/experiment/process_photoswitches.py' 2025-02-12T18:33:45,067 adding 'polyatomic_complexes-1.0.8.dist-info/LICENSE' 2025-02-12T18:33:45,069 adding 'polyatomic_complexes-1.0.8.dist-info/METADATA' 2025-02-12T18:33:45,070 adding 'polyatomic_complexes-1.0.8.dist-info/WHEEL' 2025-02-12T18:33:45,072 adding 'polyatomic_complexes-1.0.8.dist-info/top_level.txt' 2025-02-12T18:33:45,074 adding 'polyatomic_complexes-1.0.8.dist-info/RECORD' 2025-02-12T18:33:45,081 removing build/bdist.linux-armv7l/wheel 2025-02-12T18:33:45,212 Building wheel for polyatomic-complexes (setup.py): finished with status 'done' 2025-02-12T18:33:45,217 Created wheel for polyatomic-complexes: filename=polyatomic_complexes-1.0.8-py3-none-any.whl size=205508 sha256=ee04fe1a274fe731488351603a7f45ea4a34820ad6d1822cb4eb7d8452a764f0 2025-02-12T18:33:45,218 Stored in directory: /tmp/pip-ephem-wheel-cache-ykd6qjnq/wheels/16/17/37/f07b17d3f13ef4a62f172a08212b7f5801a4cc893123c507d2 2025-02-12T18:33:45,231 Successfully built polyatomic-complexes 2025-02-12T18:33:45,242 Removed build tracker: '/tmp/pip-build-tracker-7w4cir7o'