2025-01-31T15:40:26,394 Created temporary directory: /tmp/pip-build-tracker-krxouxyw 2025-01-31T15:40:26,396 Initialized build tracking at /tmp/pip-build-tracker-krxouxyw 2025-01-31T15:40:26,396 Created build tracker: /tmp/pip-build-tracker-krxouxyw 2025-01-31T15:40:26,397 Entered build tracker: /tmp/pip-build-tracker-krxouxyw 2025-01-31T15:40:26,397 Created temporary directory: /tmp/pip-wheel-24u_anzv 2025-01-31T15:40:26,401 Created temporary directory: /tmp/pip-ephem-wheel-cache-jl_7gm26 2025-01-31T15:40:26,446 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-01-31T15:40:26,448 2 location(s) to search for versions of polyatomic-complexes: 2025-01-31T15:40:26,448 * https://pypi.org/simple/polyatomic-complexes/ 2025-01-31T15:40:26,448 * https://www.piwheels.org/simple/polyatomic-complexes/ 2025-01-31T15:40:26,449 Fetching project page and analyzing links: https://pypi.org/simple/polyatomic-complexes/ 2025-01-31T15:40:26,450 Getting page https://pypi.org/simple/polyatomic-complexes/ 2025-01-31T15:40:26,451 Found index url https://pypi.org/simple/ 2025-01-31T15:40:26,673 Fetched page https://pypi.org/simple/polyatomic-complexes/ as application/vnd.pypi.simple.v1+json 2025-01-31T15:40:26,675 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) 2025-01-31T15:40:26,677 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) 2025-01-31T15:40:26,677 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) 2025-01-31T15:40:26,678 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/) 2025-01-31T15:40:26,678 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 2025-01-31T15:40:26,679 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/) 2025-01-31T15:40:26,680 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 2025-01-31T15:40:26,681 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/) 2025-01-31T15:40:26,681 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 2025-01-31T15:40:26,682 Fetching project page and analyzing links: https://www.piwheels.org/simple/polyatomic-complexes/ 2025-01-31T15:40:26,683 Getting page https://www.piwheels.org/simple/polyatomic-complexes/ 2025-01-31T15:40:26,684 Found index url https://www.piwheels.org/simple/ 2025-01-31T15:40:26,849 Fetched page https://www.piwheels.org/simple/polyatomic-complexes/ as text/html 2025-01-31T15:40:26,851 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/) 2025-01-31T15:40:26,852 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/) 2025-01-31T15:40:26,853 Skipping link: not a file: https://www.piwheels.org/simple/polyatomic-complexes/ 2025-01-31T15:40:26,853 Skipping link: not a file: https://pypi.org/simple/polyatomic-complexes/ 2025-01-31T15:40:26,872 Given no hashes to check 1 links for project 'polyatomic-complexes': discarding no candidates 2025-01-31T15:40:26,874 Collecting polyatomic-complexes==1.0.7 2025-01-31T15:40:26,877 Created temporary directory: /tmp/pip-unpack-pogexzvh 2025-01-31T15:40:27,095 Downloading polyatomic_complexes-1.0.7.tar.gz (175 kB) 2025-01-31T15:40:27,296 Added polyatomic-complexes==1.0.7 from https://files.pythonhosted.org/packages/9b/a3/53e196525799acdbdb38823177faa3eab37b5d696cc6a028a54d82c69ce0/polyatomic_complexes-1.0.7.tar.gz to build tracker '/tmp/pip-build-tracker-krxouxyw' 2025-01-31T15:40:27,299 Running setup.py (path:/tmp/pip-wheel-24u_anzv/polyatomic-complexes_0751f84372d74ed787633f5b987f0dc0/setup.py) egg_info for package polyatomic-complexes 2025-01-31T15:40:27,299 Created temporary directory: /tmp/pip-pip-egg-info-kq1jgvag 2025-01-31T15:40:27,300 Preparing metadata (setup.py): started 2025-01-31T15:40:27,301 Running command python setup.py egg_info 2025-01-31T15:40:28,383 running egg_info 2025-01-31T15:40:28,413 creating /tmp/pip-pip-egg-info-kq1jgvag/polyatomic_complexes.egg-info 2025-01-31T15:40:28,414 writing /tmp/pip-pip-egg-info-kq1jgvag/polyatomic_complexes.egg-info/PKG-INFO 2025-01-31T15:40:28,419 writing dependency_links to /tmp/pip-pip-egg-info-kq1jgvag/polyatomic_complexes.egg-info/dependency_links.txt 2025-01-31T15:40:28,422 writing requirements to /tmp/pip-pip-egg-info-kq1jgvag/polyatomic_complexes.egg-info/requires.txt 2025-01-31T15:40:28,423 writing top-level names to /tmp/pip-pip-egg-info-kq1jgvag/polyatomic_complexes.egg-info/top_level.txt 2025-01-31T15:40:28,425 writing manifest file '/tmp/pip-pip-egg-info-kq1jgvag/polyatomic_complexes.egg-info/SOURCES.txt' 2025-01-31T15:40:28,518 reading manifest file '/tmp/pip-pip-egg-info-kq1jgvag/polyatomic_complexes.egg-info/SOURCES.txt' 2025-01-31T15:40:28,519 reading manifest template 'MANIFEST.in' 2025-01-31T15:40:28,520 warning: no files found matching 'polyatomic_complexes/dataset/construct/atom_lookup.pkl' 2025-01-31T15:40:28,521 warning: no files found matching 'polyatomic_complexes/dataset/construct/*.csv' 2025-01-31T15:40:28,523 warning: no previously-included files found matching 'polyatomic_complexes/dataset/mp_matbench_jdft2d/jdft2d.csv' 2025-01-31T15:40:28,524 warning: no previously-included files found matching 'polyatomic_complexes/dataset/materials_project/materials_data.csv' 2025-01-31T15:40:28,525 warning: no previously-included files matching 'polyatomic_complexes/dataset/**/*.pkl' found anywhere in distribution 2025-01-31T15:40:28,526 warning: no previously-included files matching 'polyatomic_complexes/results/*' found anywhere in distribution 2025-01-31T15:40:28,526 warning: no previously-included files matching 'polyatomic_complexes/tests/*' found anywhere in distribution 2025-01-31T15:40:28,527 no previously-included directories found matching '*/__pycache__' 2025-01-31T15:40:28,528 no previously-included directories found matching '.env/*' 2025-01-31T15:40:28,529 no previously-included directories found matching '.github/*' 2025-01-31T15:40:28,529 adding license file 'LICENSE' 2025-01-31T15:40:28,533 writing manifest file '/tmp/pip-pip-egg-info-kq1jgvag/polyatomic_complexes.egg-info/SOURCES.txt' 2025-01-31T15:40:28,641 Preparing metadata (setup.py): finished with status 'done' 2025-01-31T15:40:28,646 Source in /tmp/pip-wheel-24u_anzv/polyatomic-complexes_0751f84372d74ed787633f5b987f0dc0 has version 1.0.7, which satisfies requirement polyatomic-complexes==1.0.7 from https://files.pythonhosted.org/packages/9b/a3/53e196525799acdbdb38823177faa3eab37b5d696cc6a028a54d82c69ce0/polyatomic_complexes-1.0.7.tar.gz 2025-01-31T15:40:28,647 Removed polyatomic-complexes==1.0.7 from https://files.pythonhosted.org/packages/9b/a3/53e196525799acdbdb38823177faa3eab37b5d696cc6a028a54d82c69ce0/polyatomic_complexes-1.0.7.tar.gz from build tracker '/tmp/pip-build-tracker-krxouxyw' 2025-01-31T15:40:28,659 Created temporary directory: /tmp/pip-unpack-yiju1x82 2025-01-31T15:40:28,660 Created temporary directory: /tmp/pip-unpack-aulpk7py 2025-01-31T15:40:28,660 Building wheels for collected packages: polyatomic-complexes 2025-01-31T15:40:28,665 Created temporary directory: /tmp/pip-wheel-56tr846a 2025-01-31T15:40:28,665 Building wheel for polyatomic-complexes (setup.py): started 2025-01-31T15:40:28,666 Destination directory: /tmp/pip-wheel-56tr846a 2025-01-31T15:40:28,667 Running command python setup.py bdist_wheel 2025-01-31T15:40:29,922 running bdist_wheel 2025-01-31T15:40:30,054 running build 2025-01-31T15:40:30,055 running build_py 2025-01-31T15:40:30,085 creating build/lib/polyatomic_complexes 2025-01-31T15:40:30,087 copying polyatomic_complexes/__init__.py -> build/lib/polyatomic_complexes 2025-01-31T15:40:30,090 creating build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,091 copying polyatomic_complexes/experiments/metrics.py -> build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,093 copying polyatomic_complexes/experiments/__init__.py -> build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,095 copying polyatomic_complexes/experiments/mp_matbench_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,098 copying polyatomic_complexes/experiments/photoswitches_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,100 copying polyatomic_complexes/experiments/jdft2d_matbench_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,103 copying polyatomic_complexes/experiments/esol_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,105 copying polyatomic_complexes/experiments/gaussian_process.py -> build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,108 copying polyatomic_complexes/experiments/load_process_data.py -> build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,110 copying polyatomic_complexes/experiments/kernels.py -> build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,112 copying polyatomic_complexes/experiments/materials_project_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,115 copying polyatomic_complexes/experiments/freesolv_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,118 copying polyatomic_complexes/experiments/lipophilicity_experiment.py -> build/lib/polyatomic_complexes/experiments 2025-01-31T15:40:30,121 creating build/lib/polyatomic_complexes/src 2025-01-31T15:40:30,122 copying polyatomic_complexes/src/__init__.py -> build/lib/polyatomic_complexes/src 2025-01-31T15:40:30,125 creating build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,126 copying polyatomic_complexes/src/complexes/building_blocks.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,128 copying polyatomic_complexes/src/complexes/space_utils.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,131 copying polyatomic_complexes/src/complexes/polyatomic_complex.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,133 copying polyatomic_complexes/src/complexes/general_utils.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,135 copying polyatomic_complexes/src/complexes/atomic_complex.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,138 copying polyatomic_complexes/src/complexes/quantum_complex.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,141 copying polyatomic_complexes/src/complexes/__init__.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,143 copying polyatomic_complexes/src/complexes/force_complex.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,145 copying polyatomic_complexes/src/complexes/build_atom_lookup.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,147 copying polyatomic_complexes/src/complexes/core_utils.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,150 copying polyatomic_complexes/src/complexes/polyatomic_complex_cls.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,151 copying polyatomic_complexes/src/complexes/polyatomic_geometry.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,154 copying polyatomic_complexes/src/complexes/abstract_complex.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,156 copying polyatomic_complexes/src/complexes/quantum_theor_complex.py -> build/lib/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,160 creating build/lib/polyatomic_complexes/src/experiment 2025-01-31T15:40:30,161 copying polyatomic_complexes/src/experiment/process_mp_jdft2d.py -> build/lib/polyatomic_complexes/src/experiment 2025-01-31T15:40:30,163 copying polyatomic_complexes/src/experiment/__init__.py -> build/lib/polyatomic_complexes/src/experiment 2025-01-31T15:40:30,165 copying polyatomic_complexes/src/experiment/process_lipophilicity.py -> build/lib/polyatomic_complexes/src/experiment 2025-01-31T15:40:30,167 copying polyatomic_complexes/src/experiment/process_materials_project.py -> build/lib/polyatomic_complexes/src/experiment 2025-01-31T15:40:30,169 copying polyatomic_complexes/src/experiment/process_freesolv.py -> build/lib/polyatomic_complexes/src/experiment 2025-01-31T15:40:30,171 copying polyatomic_complexes/src/experiment/process_photoswitches.py -> build/lib/polyatomic_complexes/src/experiment 2025-01-31T15:40:30,173 copying polyatomic_complexes/src/experiment/process_esol.py -> build/lib/polyatomic_complexes/src/experiment 2025-01-31T15:40:30,174 running egg_info 2025-01-31T15:40:30,204 writing polyatomic_complexes.egg-info/PKG-INFO 2025-01-31T15:40:30,208 writing dependency_links to polyatomic_complexes.egg-info/dependency_links.txt 2025-01-31T15:40:30,210 writing requirements to polyatomic_complexes.egg-info/requires.txt 2025-01-31T15:40:30,212 writing top-level names to polyatomic_complexes.egg-info/top_level.txt 2025-01-31T15:40:30,247 reading manifest file 'polyatomic_complexes.egg-info/SOURCES.txt' 2025-01-31T15:40:30,252 reading manifest template 'MANIFEST.in' 2025-01-31T15:40:30,253 warning: no files found matching 'polyatomic_complexes/dataset/construct/atom_lookup.pkl' 2025-01-31T15:40:30,254 warning: no files found matching 'polyatomic_complexes/dataset/construct/*.csv' 2025-01-31T15:40:30,256 warning: no previously-included files found matching 'polyatomic_complexes/dataset/mp_matbench_jdft2d/jdft2d.csv' 2025-01-31T15:40:30,256 warning: no previously-included files found matching 'polyatomic_complexes/dataset/materials_project/materials_data.csv' 2025-01-31T15:40:30,257 warning: no previously-included files matching 'polyatomic_complexes/dataset/**/*.pkl' found anywhere in distribution 2025-01-31T15:40:30,258 warning: no previously-included files matching 'polyatomic_complexes/results/*' found anywhere in distribution 2025-01-31T15:40:30,259 warning: no previously-included files matching 'polyatomic_complexes/tests/*' found anywhere in distribution 2025-01-31T15:40:30,260 no previously-included directories found matching '*/__pycache__' 2025-01-31T15:40:30,261 no previously-included directories found matching '.env/*' 2025-01-31T15:40:30,261 no previously-included directories found matching '.github/*' 2025-01-31T15:40:30,262 adding license file 'LICENSE' 2025-01-31T15:40:30,266 writing manifest file 'polyatomic_complexes.egg-info/SOURCES.txt' 2025-01-31T15:40:30,268 /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. 2025-01-31T15:40:30,269 !! 2025-01-31T15:40:30,270 ******************************************************************************** 2025-01-31T15:40:30,270 ############################ 2025-01-31T15:40:30,271 # Package would be ignored # 2025-01-31T15:40:30,271 ############################ 2025-01-31T15:40:30,271 Python recognizes 'polyatomic_complexes.dataset.construct' as an importable package[^1], 2025-01-31T15:40:30,272 but it is absent from setuptools' `packages` configuration. 2025-01-31T15:40:30,273 This leads to an ambiguous overall configuration. If you want to distribute this 2025-01-31T15:40:30,273 package, please make sure that 'polyatomic_complexes.dataset.construct' is explicitly added 2025-01-31T15:40:30,274 to the `packages` configuration field. 2025-01-31T15:40:30,275 Alternatively, you can also rely on setuptools' discovery methods 2025-01-31T15:40:30,275 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-01-31T15:40:30,276 instead of `find_packages(...)`/`find:`). 2025-01-31T15:40:30,277 You can read more about "package discovery" on setuptools documentation page: 2025-01-31T15:40:30,278 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-01-31T15:40:30,279 If you don't want 'polyatomic_complexes.dataset.construct' to be distributed and are 2025-01-31T15:40:30,279 already explicitly excluding 'polyatomic_complexes.dataset.construct' via 2025-01-31T15:40:30,280 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-01-31T15:40:30,280 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-01-31T15:40:30,281 combination with a more fine grained `package-data` configuration. 2025-01-31T15:40:30,282 You can read more about "package data files" on setuptools documentation page: 2025-01-31T15:40:30,283 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-01-31T15:40:30,284 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-01-31T15:40:30,285 even if it does not contain any `.py` files. 2025-01-31T15:40:30,285 On the other hand, currently there is no concept of package data 2025-01-31T15:40:30,286 directory, all directories are treated like packages. 2025-01-31T15:40:30,286 ******************************************************************************** 2025-01-31T15:40:30,287 !! 2025-01-31T15:40:30,288 check.warn(importable) 2025-01-31T15:40:30,289 /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. 2025-01-31T15:40:30,289 !! 2025-01-31T15:40:30,290 ******************************************************************************** 2025-01-31T15:40:30,291 ############################ 2025-01-31T15:40:30,291 # Package would be ignored # 2025-01-31T15:40:30,292 ############################ 2025-01-31T15:40:30,292 Python recognizes 'polyatomic_complexes.dataset.esol' as an importable package[^1], 2025-01-31T15:40:30,293 but it is absent from setuptools' `packages` configuration. 2025-01-31T15:40:30,294 This leads to an ambiguous overall configuration. If you want to distribute this 2025-01-31T15:40:30,294 package, please make sure that 'polyatomic_complexes.dataset.esol' is explicitly added 2025-01-31T15:40:30,295 to the `packages` configuration field. 2025-01-31T15:40:30,297 Alternatively, you can also rely on setuptools' discovery methods 2025-01-31T15:40:30,298 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-01-31T15:40:30,298 instead of `find_packages(...)`/`find:`). 2025-01-31T15:40:30,299 You can read more about "package discovery" on setuptools documentation page: 2025-01-31T15:40:30,300 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-01-31T15:40:30,301 If you don't want 'polyatomic_complexes.dataset.esol' to be distributed and are 2025-01-31T15:40:30,301 already explicitly excluding 'polyatomic_complexes.dataset.esol' via 2025-01-31T15:40:30,302 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-01-31T15:40:30,302 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-01-31T15:40:30,303 combination with a more fine grained `package-data` configuration. 2025-01-31T15:40:30,304 You can read more about "package data files" on setuptools documentation page: 2025-01-31T15:40:30,305 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-01-31T15:40:30,306 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-01-31T15:40:30,306 even if it does not contain any `.py` files. 2025-01-31T15:40:30,307 On the other hand, currently there is no concept of package data 2025-01-31T15:40:30,308 directory, all directories are treated like packages. 2025-01-31T15:40:30,310 ******************************************************************************** 2025-01-31T15:40:30,312 !! 2025-01-31T15:40:30,313 check.warn(importable) 2025-01-31T15:40:30,314 /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. 2025-01-31T15:40:30,314 !! 2025-01-31T15:40:30,316 ******************************************************************************** 2025-01-31T15:40:30,317 ############################ 2025-01-31T15:40:30,317 # Package would be ignored # 2025-01-31T15:40:30,318 ############################ 2025-01-31T15:40:30,319 Python recognizes 'polyatomic_complexes.dataset.free_solv' as an importable package[^1], 2025-01-31T15:40:30,319 but it is absent from setuptools' `packages` configuration. 2025-01-31T15:40:30,321 This leads to an ambiguous overall configuration. If you want to distribute this 2025-01-31T15:40:30,321 package, please make sure that 'polyatomic_complexes.dataset.free_solv' is explicitly added 2025-01-31T15:40:30,322 to the `packages` configuration field. 2025-01-31T15:40:30,323 Alternatively, you can also rely on setuptools' discovery methods 2025-01-31T15:40:30,323 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-01-31T15:40:30,324 instead of `find_packages(...)`/`find:`). 2025-01-31T15:40:30,325 You can read more about "package discovery" on setuptools documentation page: 2025-01-31T15:40:30,326 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-01-31T15:40:30,327 If you don't want 'polyatomic_complexes.dataset.free_solv' to be distributed and are 2025-01-31T15:40:30,328 already explicitly excluding 'polyatomic_complexes.dataset.free_solv' via 2025-01-31T15:40:30,329 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-01-31T15:40:30,329 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-01-31T15:40:30,330 combination with a more fine grained `package-data` configuration. 2025-01-31T15:40:30,331 You can read more about "package data files" on setuptools documentation page: 2025-01-31T15:40:30,332 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-01-31T15:40:30,334 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-01-31T15:40:30,334 even if it does not contain any `.py` files. 2025-01-31T15:40:30,335 On the other hand, currently there is no concept of package data 2025-01-31T15:40:30,335 directory, all directories are treated like packages. 2025-01-31T15:40:30,335 ******************************************************************************** 2025-01-31T15:40:30,336 !! 2025-01-31T15:40:30,337 check.warn(importable) 2025-01-31T15:40:30,337 /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. 2025-01-31T15:40:30,338 !! 2025-01-31T15:40:30,339 ******************************************************************************** 2025-01-31T15:40:30,339 ############################ 2025-01-31T15:40:30,339 # Package would be ignored # 2025-01-31T15:40:30,340 ############################ 2025-01-31T15:40:30,341 Python recognizes 'polyatomic_complexes.dataset.lipophilicity' as an importable package[^1], 2025-01-31T15:40:30,341 but it is absent from setuptools' `packages` configuration. 2025-01-31T15:40:30,342 This leads to an ambiguous overall configuration. If you want to distribute this 2025-01-31T15:40:30,342 package, please make sure that 'polyatomic_complexes.dataset.lipophilicity' is explicitly added 2025-01-31T15:40:30,343 to the `packages` configuration field. 2025-01-31T15:40:30,344 Alternatively, you can also rely on setuptools' discovery methods 2025-01-31T15:40:30,345 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-01-31T15:40:30,345 instead of `find_packages(...)`/`find:`). 2025-01-31T15:40:30,346 You can read more about "package discovery" on setuptools documentation page: 2025-01-31T15:40:30,347 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-01-31T15:40:30,349 If you don't want 'polyatomic_complexes.dataset.lipophilicity' to be distributed and are 2025-01-31T15:40:30,349 already explicitly excluding 'polyatomic_complexes.dataset.lipophilicity' via 2025-01-31T15:40:30,350 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-01-31T15:40:30,350 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-01-31T15:40:30,351 combination with a more fine grained `package-data` configuration. 2025-01-31T15:40:30,352 You can read more about "package data files" on setuptools documentation page: 2025-01-31T15:40:30,353 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-01-31T15:40:30,355 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-01-31T15:40:30,355 even if it does not contain any `.py` files. 2025-01-31T15:40:30,356 On the other hand, currently there is no concept of package data 2025-01-31T15:40:30,357 directory, all directories are treated like packages. 2025-01-31T15:40:30,357 ******************************************************************************** 2025-01-31T15:40:30,358 !! 2025-01-31T15:40:30,359 check.warn(importable) 2025-01-31T15:40:30,359 /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. 2025-01-31T15:40:30,360 !! 2025-01-31T15:40:30,361 ******************************************************************************** 2025-01-31T15:40:30,362 ############################ 2025-01-31T15:40:30,362 # Package would be ignored # 2025-01-31T15:40:30,363 ############################ 2025-01-31T15:40:30,363 Python recognizes 'polyatomic_complexes.dataset.photoswitches' as an importable package[^1], 2025-01-31T15:40:30,364 but it is absent from setuptools' `packages` configuration. 2025-01-31T15:40:30,365 This leads to an ambiguous overall configuration. If you want to distribute this 2025-01-31T15:40:30,365 package, please make sure that 'polyatomic_complexes.dataset.photoswitches' is explicitly added 2025-01-31T15:40:30,366 to the `packages` configuration field. 2025-01-31T15:40:30,367 Alternatively, you can also rely on setuptools' discovery methods 2025-01-31T15:40:30,367 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-01-31T15:40:30,367 instead of `find_packages(...)`/`find:`). 2025-01-31T15:40:30,369 You can read more about "package discovery" on setuptools documentation page: 2025-01-31T15:40:30,370 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-01-31T15:40:30,371 If you don't want 'polyatomic_complexes.dataset.photoswitches' to be distributed and are 2025-01-31T15:40:30,371 already explicitly excluding 'polyatomic_complexes.dataset.photoswitches' via 2025-01-31T15:40:30,372 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-01-31T15:40:30,372 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-01-31T15:40:30,373 combination with a more fine grained `package-data` configuration. 2025-01-31T15:40:30,374 You can read more about "package data files" on setuptools documentation page: 2025-01-31T15:40:30,375 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-01-31T15:40:30,377 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-01-31T15:40:30,377 even if it does not contain any `.py` files. 2025-01-31T15:40:30,378 On the other hand, currently there is no concept of package data 2025-01-31T15:40:30,378 directory, all directories are treated like packages. 2025-01-31T15:40:30,379 ******************************************************************************** 2025-01-31T15:40:30,380 !! 2025-01-31T15:40:30,381 check.warn(importable) 2025-01-31T15:40:30,381 creating build/lib/polyatomic_complexes/dataset/construct 2025-01-31T15:40:30,382 copying polyatomic_complexes/dataset/construct/atomic_mass.json -> build/lib/polyatomic_complexes/dataset/construct 2025-01-31T15:40:30,382 copying polyatomic_complexes/dataset/construct/basis_sets.json -> build/lib/polyatomic_complexes/dataset/construct 2025-01-31T15:40:30,383 copying polyatomic_complexes/dataset/construct/basis_sets_complex.json -> build/lib/polyatomic_complexes/dataset/construct 2025-01-31T15:40:30,383 copying polyatomic_complexes/dataset/construct/lookup_map.json -> build/lib/polyatomic_complexes/dataset/construct 2025-01-31T15:40:30,384 creating build/lib/polyatomic_complexes/dataset/esol 2025-01-31T15:40:30,385 copying polyatomic_complexes/dataset/esol/ESOL.csv -> build/lib/polyatomic_complexes/dataset/esol 2025-01-31T15:40:30,385 creating build/lib/polyatomic_complexes/dataset/free_solv 2025-01-31T15:40:30,386 copying polyatomic_complexes/dataset/free_solv/FreeSolv.csv -> build/lib/polyatomic_complexes/dataset/free_solv 2025-01-31T15:40:30,386 creating build/lib/polyatomic_complexes/dataset/lipophilicity 2025-01-31T15:40:30,387 copying polyatomic_complexes/dataset/lipophilicity/Lipophilicity.csv -> build/lib/polyatomic_complexes/dataset/lipophilicity 2025-01-31T15:40:30,387 creating build/lib/polyatomic_complexes/dataset/photoswitches 2025-01-31T15:40:30,388 copying polyatomic_complexes/dataset/photoswitches/photoswitches.csv -> build/lib/polyatomic_complexes/dataset/photoswitches 2025-01-31T15:40:30,389 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2025-01-31T15:40:30,389 !! 2025-01-31T15:40:30,390 ******************************************************************************** 2025-01-31T15:40:30,391 Please avoid running ``setup.py`` directly. 2025-01-31T15:40:30,391 Instead, use pypa/build, pypa/installer or other 2025-01-31T15:40:30,392 standards-based tools. 2025-01-31T15:40:30,393 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2025-01-31T15:40:30,393 ******************************************************************************** 2025-01-31T15:40:30,394 !! 2025-01-31T15:40:30,395 self.initialize_options() 2025-01-31T15:40:30,397 installing to build/bdist.linux-armv7l/wheel 2025-01-31T15:40:30,398 running install 2025-01-31T15:40:30,422 running install_lib 2025-01-31T15:40:30,449 creating build/bdist.linux-armv7l/wheel 2025-01-31T15:40:30,451 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes 2025-01-31T15:40:30,453 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/experiments 2025-01-31T15:40:30,455 copying build/lib/polyatomic_complexes/experiments/metrics.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-01-31T15:40:30,456 copying build/lib/polyatomic_complexes/experiments/__init__.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-01-31T15:40:30,458 copying build/lib/polyatomic_complexes/experiments/mp_matbench_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-01-31T15:40:30,460 copying build/lib/polyatomic_complexes/experiments/photoswitches_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-01-31T15:40:30,463 copying build/lib/polyatomic_complexes/experiments/jdft2d_matbench_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-01-31T15:40:30,465 copying build/lib/polyatomic_complexes/experiments/esol_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-01-31T15:40:30,467 copying build/lib/polyatomic_complexes/experiments/gaussian_process.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-01-31T15:40:30,469 copying build/lib/polyatomic_complexes/experiments/load_process_data.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-01-31T15:40:30,472 copying build/lib/polyatomic_complexes/experiments/kernels.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-01-31T15:40:30,474 copying build/lib/polyatomic_complexes/experiments/materials_project_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-01-31T15:40:30,476 copying build/lib/polyatomic_complexes/experiments/freesolv_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-01-31T15:40:30,479 copying build/lib/polyatomic_complexes/experiments/lipophilicity_experiment.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/experiments 2025-01-31T15:40:30,481 copying build/lib/polyatomic_complexes/__init__.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes 2025-01-31T15:40:30,484 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/dataset 2025-01-31T15:40:30,486 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/dataset/esol 2025-01-31T15:40:30,487 copying build/lib/polyatomic_complexes/dataset/esol/ESOL.csv -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/esol 2025-01-31T15:40:30,492 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/dataset/lipophilicity 2025-01-31T15:40:30,494 copying build/lib/polyatomic_complexes/dataset/lipophilicity/Lipophilicity.csv -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/lipophilicity 2025-01-31T15:40:30,501 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/dataset/photoswitches 2025-01-31T15:40:30,503 copying build/lib/polyatomic_complexes/dataset/photoswitches/photoswitches.csv -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/photoswitches 2025-01-31T15:40:30,506 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/dataset/construct 2025-01-31T15:40:30,508 copying build/lib/polyatomic_complexes/dataset/construct/lookup_map.json -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/construct 2025-01-31T15:40:30,511 copying build/lib/polyatomic_complexes/dataset/construct/basis_sets.json -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/construct 2025-01-31T15:40:30,513 copying build/lib/polyatomic_complexes/dataset/construct/atomic_mass.json -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/construct 2025-01-31T15:40:30,515 copying build/lib/polyatomic_complexes/dataset/construct/basis_sets_complex.json -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/construct 2025-01-31T15:40:30,517 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/dataset/free_solv 2025-01-31T15:40:30,519 copying build/lib/polyatomic_complexes/dataset/free_solv/FreeSolv.csv -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/dataset/free_solv 2025-01-31T15:40:30,522 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/src 2025-01-31T15:40:30,525 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/src/complexes 2025-01-31T15:40:30,526 copying build/lib/polyatomic_complexes/src/complexes/building_blocks.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,529 copying build/lib/polyatomic_complexes/src/complexes/space_utils.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,532 copying build/lib/polyatomic_complexes/src/complexes/polyatomic_complex.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,534 copying build/lib/polyatomic_complexes/src/complexes/general_utils.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,537 copying build/lib/polyatomic_complexes/src/complexes/atomic_complex.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,540 copying build/lib/polyatomic_complexes/src/complexes/quantum_complex.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,543 copying build/lib/polyatomic_complexes/src/complexes/__init__.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,545 copying build/lib/polyatomic_complexes/src/complexes/force_complex.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,547 copying build/lib/polyatomic_complexes/src/complexes/build_atom_lookup.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,550 copying build/lib/polyatomic_complexes/src/complexes/core_utils.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,552 copying build/lib/polyatomic_complexes/src/complexes/polyatomic_complex_cls.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,554 copying build/lib/polyatomic_complexes/src/complexes/polyatomic_geometry.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,557 copying build/lib/polyatomic_complexes/src/complexes/abstract_complex.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,560 copying build/lib/polyatomic_complexes/src/complexes/quantum_theor_complex.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/complexes 2025-01-31T15:40:30,563 copying build/lib/polyatomic_complexes/src/__init__.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src 2025-01-31T15:40:30,566 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes/src/experiment 2025-01-31T15:40:30,567 copying build/lib/polyatomic_complexes/src/experiment/process_mp_jdft2d.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-01-31T15:40:30,570 copying build/lib/polyatomic_complexes/src/experiment/__init__.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-01-31T15:40:30,572 copying build/lib/polyatomic_complexes/src/experiment/process_lipophilicity.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-01-31T15:40:30,574 copying build/lib/polyatomic_complexes/src/experiment/process_materials_project.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-01-31T15:40:30,576 copying build/lib/polyatomic_complexes/src/experiment/process_freesolv.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-01-31T15:40:30,578 copying build/lib/polyatomic_complexes/src/experiment/process_photoswitches.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-01-31T15:40:30,580 copying build/lib/polyatomic_complexes/src/experiment/process_esol.py -> build/bdist.linux-armv7l/wheel/./polyatomic_complexes/src/experiment 2025-01-31T15:40:30,582 running install_egg_info 2025-01-31T15:40:30,616 Copying polyatomic_complexes.egg-info to build/bdist.linux-armv7l/wheel/./polyatomic_complexes-1.0.7-py3.11.egg-info 2025-01-31T15:40:30,626 running install_scripts 2025-01-31T15:40:30,648 creating build/bdist.linux-armv7l/wheel/polyatomic_complexes-1.0.7.dist-info/WHEEL 2025-01-31T15:40:30,651 creating '/tmp/pip-wheel-56tr846a/polyatomic_complexes-1.0.7-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-01-31T15:40:30,654 adding 'polyatomic_complexes/__init__.py' 2025-01-31T15:40:30,657 adding 'polyatomic_complexes/dataset/construct/atomic_mass.json' 2025-01-31T15:40:30,658 adding 'polyatomic_complexes/dataset/construct/basis_sets.json' 2025-01-31T15:40:30,660 adding 'polyatomic_complexes/dataset/construct/basis_sets_complex.json' 2025-01-31T15:40:30,662 adding 'polyatomic_complexes/dataset/construct/lookup_map.json' 2025-01-31T15:40:30,681 adding 'polyatomic_complexes/dataset/esol/ESOL.csv' 2025-01-31T15:40:30,688 adding 'polyatomic_complexes/dataset/free_solv/FreeSolv.csv' 2025-01-31T15:40:30,753 adding 'polyatomic_complexes/dataset/lipophilicity/Lipophilicity.csv' 2025-01-31T15:40:30,762 adding 'polyatomic_complexes/dataset/photoswitches/photoswitches.csv' 2025-01-31T15:40:30,764 adding 'polyatomic_complexes/experiments/__init__.py' 2025-01-31T15:40:30,766 adding 'polyatomic_complexes/experiments/esol_experiment.py' 2025-01-31T15:40:30,768 adding 'polyatomic_complexes/experiments/freesolv_experiment.py' 2025-01-31T15:40:30,771 adding 'polyatomic_complexes/experiments/gaussian_process.py' 2025-01-31T15:40:30,773 adding 'polyatomic_complexes/experiments/jdft2d_matbench_experiment.py' 2025-01-31T15:40:30,775 adding 'polyatomic_complexes/experiments/kernels.py' 2025-01-31T15:40:30,777 adding 'polyatomic_complexes/experiments/lipophilicity_experiment.py' 2025-01-31T15:40:30,779 adding 'polyatomic_complexes/experiments/load_process_data.py' 2025-01-31T15:40:30,782 adding 'polyatomic_complexes/experiments/materials_project_experiment.py' 2025-01-31T15:40:30,783 adding 'polyatomic_complexes/experiments/metrics.py' 2025-01-31T15:40:30,786 adding 'polyatomic_complexes/experiments/mp_matbench_experiment.py' 2025-01-31T15:40:30,788 adding 'polyatomic_complexes/experiments/photoswitches_experiment.py' 2025-01-31T15:40:30,790 adding 'polyatomic_complexes/src/__init__.py' 2025-01-31T15:40:30,792 adding 'polyatomic_complexes/src/complexes/__init__.py' 2025-01-31T15:40:30,794 adding 'polyatomic_complexes/src/complexes/abstract_complex.py' 2025-01-31T15:40:30,796 adding 'polyatomic_complexes/src/complexes/atomic_complex.py' 2025-01-31T15:40:30,798 adding 'polyatomic_complexes/src/complexes/build_atom_lookup.py' 2025-01-31T15:40:30,800 adding 'polyatomic_complexes/src/complexes/building_blocks.py' 2025-01-31T15:40:30,802 adding 'polyatomic_complexes/src/complexes/core_utils.py' 2025-01-31T15:40:30,803 adding 'polyatomic_complexes/src/complexes/force_complex.py' 2025-01-31T15:40:30,805 adding 'polyatomic_complexes/src/complexes/general_utils.py' 2025-01-31T15:40:30,807 adding 'polyatomic_complexes/src/complexes/polyatomic_complex.py' 2025-01-31T15:40:30,808 adding 'polyatomic_complexes/src/complexes/polyatomic_complex_cls.py' 2025-01-31T15:40:30,810 adding 'polyatomic_complexes/src/complexes/polyatomic_geometry.py' 2025-01-31T15:40:30,812 adding 'polyatomic_complexes/src/complexes/quantum_complex.py' 2025-01-31T15:40:30,816 adding 'polyatomic_complexes/src/complexes/quantum_theor_complex.py' 2025-01-31T15:40:30,818 adding 'polyatomic_complexes/src/complexes/space_utils.py' 2025-01-31T15:40:30,820 adding 'polyatomic_complexes/src/experiment/__init__.py' 2025-01-31T15:40:30,822 adding 'polyatomic_complexes/src/experiment/process_esol.py' 2025-01-31T15:40:30,823 adding 'polyatomic_complexes/src/experiment/process_freesolv.py' 2025-01-31T15:40:30,824 adding 'polyatomic_complexes/src/experiment/process_lipophilicity.py' 2025-01-31T15:40:30,826 adding 'polyatomic_complexes/src/experiment/process_materials_project.py' 2025-01-31T15:40:30,827 adding 'polyatomic_complexes/src/experiment/process_mp_jdft2d.py' 2025-01-31T15:40:30,829 adding 'polyatomic_complexes/src/experiment/process_photoswitches.py' 2025-01-31T15:40:30,831 adding 'polyatomic_complexes-1.0.7.dist-info/LICENSE' 2025-01-31T15:40:30,832 adding 'polyatomic_complexes-1.0.7.dist-info/METADATA' 2025-01-31T15:40:30,834 adding 'polyatomic_complexes-1.0.7.dist-info/WHEEL' 2025-01-31T15:40:30,835 adding 'polyatomic_complexes-1.0.7.dist-info/top_level.txt' 2025-01-31T15:40:30,836 adding 'polyatomic_complexes-1.0.7.dist-info/RECORD' 2025-01-31T15:40:30,843 removing build/bdist.linux-armv7l/wheel 2025-01-31T15:40:30,987 Building wheel for polyatomic-complexes (setup.py): finished with status 'done' 2025-01-31T15:40:30,992 Created wheel for polyatomic-complexes: filename=polyatomic_complexes-1.0.7-py3-none-any.whl size=203971 sha256=03d84d53a2fea691370e2c5453c50a2df5751bf729c0ea1d44a4f2b725f8222f 2025-01-31T15:40:30,993 Stored in directory: /tmp/pip-ephem-wheel-cache-jl_7gm26/wheels/55/c4/79/fd1c63f83d36f91eb0d14dc314433796389529c65310d5d227 2025-01-31T15:40:31,005 Successfully built polyatomic-complexes 2025-01-31T15:40:31,015 Removed build tracker: '/tmp/pip-build-tracker-krxouxyw'