2024-07-02T14:43:46,563 Created temporary directory: /tmp/pip-build-tracker-a61jn6a8 2024-07-02T14:43:46,564 Initialized build tracking at /tmp/pip-build-tracker-a61jn6a8 2024-07-02T14:43:46,565 Created build tracker: /tmp/pip-build-tracker-a61jn6a8 2024-07-02T14:43:46,565 Entered build tracker: /tmp/pip-build-tracker-a61jn6a8 2024-07-02T14:43:46,566 Created temporary directory: /tmp/pip-wheel-j1eki6fz 2024-07-02T14:43:46,569 Created temporary directory: /tmp/pip-ephem-wheel-cache-s3y9q9lu 2024-07-02T14:43:46,593 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-07-02T14:43:46,596 2 location(s) to search for versions of qsprpred: 2024-07-02T14:43:46,596 * https://pypi.org/simple/qsprpred/ 2024-07-02T14:43:46,596 * https://www.piwheels.org/simple/qsprpred/ 2024-07-02T14:43:46,597 Fetching project page and analyzing links: https://pypi.org/simple/qsprpred/ 2024-07-02T14:43:46,598 Getting page https://pypi.org/simple/qsprpred/ 2024-07-02T14:43:46,599 Found index url https://pypi.org/simple/ 2024-07-02T14:43:46,817 Fetched page https://pypi.org/simple/qsprpred/ as application/vnd.pypi.simple.v1+json 2024-07-02T14:43:46,818 Skipping link: No binaries permitted for qsprpred: https://files.pythonhosted.org/packages/56/63/a5b0447d3a8e8169c6d24fdfc8cf3800b7b7b7ace7a76ce95fac04aa5b5e/qsprpred-3.0.2-py3-none-any.whl (from https://pypi.org/simple/qsprpred/) (requires-python:>=3.10) 2024-07-02T14:43:46,819 Found link https://files.pythonhosted.org/packages/6f/1e/bc3fedb0f2b84474988d2a0115d4e488ddd98c8f81815de39d8e45d9d03a/qsprpred-3.0.2.tar.gz (from https://pypi.org/simple/qsprpred/) (requires-python:>=3.10), version: 3.0.2 2024-07-02T14:43:46,820 Skipping link: No binaries permitted for qsprpred: https://files.pythonhosted.org/packages/9c/8a/1d0d9a3095a20a65ebce7b499650d92bb6becb3b0e3e427f1377bb448e76/qsprpred-3.1.1-py3-none-any.whl (from https://pypi.org/simple/qsprpred/) (requires-python:>=3.10) 2024-07-02T14:43:46,821 Found link https://files.pythonhosted.org/packages/d1/c4/7122df538a324abd7421a4f84cfc5b761460b1a51f1dfe2fcb01b8ff28e4/qsprpred-3.1.1.tar.gz (from https://pypi.org/simple/qsprpred/) (requires-python:>=3.10), version: 3.1.1 2024-07-02T14:43:46,822 Fetching project page and analyzing links: https://www.piwheels.org/simple/qsprpred/ 2024-07-02T14:43:46,823 Getting page https://www.piwheels.org/simple/qsprpred/ 2024-07-02T14:43:46,824 Found index url https://www.piwheels.org/simple/ 2024-07-02T14:43:46,991 Fetched page https://www.piwheels.org/simple/qsprpred/ as text/html 2024-07-02T14:43:46,993 Skipping link: No binaries permitted for qsprpred: https://www.piwheels.org/simple/qsprpred/qsprpred-3.0.2-py3-none-any.whl#sha256=be29a2a24671114d37c6e786ecfc8434932a98cb8a13082458fe4d91003a01a6 (from https://www.piwheels.org/simple/qsprpred/) (requires-python:>=3.10) 2024-07-02T14:43:46,994 Skipping link: not a file: https://www.piwheels.org/simple/qsprpred/ 2024-07-02T14:43:46,995 Skipping link: not a file: https://pypi.org/simple/qsprpred/ 2024-07-02T14:43:47,015 Given no hashes to check 1 links for project 'qsprpred': discarding no candidates 2024-07-02T14:43:47,034 Collecting qsprpred==3.1.1 2024-07-02T14:43:47,036 Created temporary directory: /tmp/pip-unpack-yo0ovig8 2024-07-02T14:43:47,253 Downloading qsprpred-3.1.1.tar.gz (3.5 MB) 2024-07-02T14:43:48,775 Added qsprpred==3.1.1 from https://files.pythonhosted.org/packages/d1/c4/7122df538a324abd7421a4f84cfc5b761460b1a51f1dfe2fcb01b8ff28e4/qsprpred-3.1.1.tar.gz to build tracker '/tmp/pip-build-tracker-a61jn6a8' 2024-07-02T14:43:48,784 Created temporary directory: /tmp/pip-build-env-8n36cnyt 2024-07-02T14:43:48,789 Installing build dependencies: started 2024-07-02T14:43:48,790 Running command pip subprocess to install build dependencies 2024-07-02T14:43:49,932 Using pip 24.0 from /usr/local/lib/python3.11/dist-packages/pip (python 3.11) 2024-07-02T14:43:50,474 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-07-02T14:43:51,930 Collecting setuptools>=61.0 2024-07-02T14:43:51,945 Using cached https://www.piwheels.org/simple/setuptools/setuptools-70.2.0-py3-none-any.whl (930 kB) 2024-07-02T14:43:52,257 Collecting setuptools_scm>=7.1 (from setuptools_scm[toml]>=7.1) 2024-07-02T14:43:52,271 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-8.1.0-py3-none-any.whl (43 kB) 2024-07-02T14:43:52,628 Collecting packaging>=20 (from setuptools_scm>=7.1->setuptools_scm[toml]>=7.1) 2024-07-02T14:43:52,641 Using cached https://www.piwheels.org/simple/packaging/packaging-24.1-py3-none-any.whl (53 kB) 2024-07-02T14:43:55,462 Installing collected packages: setuptools, packaging, setuptools_scm 2024-07-02T14:43:58,343 Successfully installed packaging-24.1 setuptools-70.2.0 setuptools_scm-8.1.0 2024-07-02T14:43:58,696 [notice] A new release of pip is available: 24.0 -> 24.1.1 2024-07-02T14:43:58,697 [notice] To update, run: python3 -m pip install --upgrade pip 2024-07-02T14:43:58,978 Installing build dependencies: finished with status 'done' 2024-07-02T14:43:58,982 Getting requirements to build wheel: started 2024-07-02T14:43:58,983 Running command Getting requirements to build wheel 2024-07-02T14:43:59,946 running egg_info 2024-07-02T14:43:59,951 writing qsprpred.egg-info/PKG-INFO 2024-07-02T14:43:59,961 writing dependency_links to qsprpred.egg-info/dependency_links.txt 2024-07-02T14:43:59,967 writing requirements to qsprpred.egg-info/requires.txt 2024-07-02T14:43:59,968 writing top-level names to qsprpred.egg-info/top_level.txt 2024-07-02T14:44:00,063 ERROR setuptools_scm._file_finders.git listing git files failed - pretending there aren't any 2024-07-02T14:44:00,066 reading manifest file 'qsprpred.egg-info/SOURCES.txt' 2024-07-02T14:44:00,074 reading manifest template 'MANIFEST.in' 2024-07-02T14:44:00,143 warning: no files found matching 'test_data/*.*' under directory 'qsprpred' 2024-07-02T14:44:00,296 warning: no files found matching '*.txt' under directory 'qsprpred' 2024-07-02T14:44:00,346 warning: no files found matching '*.md' under directory 'qsprpred' 2024-07-02T14:44:00,346 adding license file 'LICENSE' 2024-07-02T14:44:00,357 writing manifest file 'qsprpred.egg-info/SOURCES.txt' 2024-07-02T14:44:00,483 Getting requirements to build wheel: finished with status 'done' 2024-07-02T14:44:00,486 Created temporary directory: /tmp/pip-modern-metadata-h2o0zf0v 2024-07-02T14:44:00,489 Preparing metadata (pyproject.toml): started 2024-07-02T14:44:00,490 Running command Preparing metadata (pyproject.toml) 2024-07-02T14:44:01,356 running dist_info 2024-07-02T14:44:01,361 creating /tmp/pip-modern-metadata-h2o0zf0v/qsprpred.egg-info 2024-07-02T14:44:01,366 writing /tmp/pip-modern-metadata-h2o0zf0v/qsprpred.egg-info/PKG-INFO 2024-07-02T14:44:01,377 writing dependency_links to /tmp/pip-modern-metadata-h2o0zf0v/qsprpred.egg-info/dependency_links.txt 2024-07-02T14:44:01,383 writing requirements to /tmp/pip-modern-metadata-h2o0zf0v/qsprpred.egg-info/requires.txt 2024-07-02T14:44:01,384 writing top-level names to /tmp/pip-modern-metadata-h2o0zf0v/qsprpred.egg-info/top_level.txt 2024-07-02T14:44:01,385 writing manifest file '/tmp/pip-modern-metadata-h2o0zf0v/qsprpred.egg-info/SOURCES.txt' 2024-07-02T14:44:01,466 ERROR setuptools_scm._file_finders.git listing git files failed - pretending there aren't any 2024-07-02T14:44:01,469 reading manifest file '/tmp/pip-modern-metadata-h2o0zf0v/qsprpred.egg-info/SOURCES.txt' 2024-07-02T14:44:01,471 reading manifest template 'MANIFEST.in' 2024-07-02T14:44:01,533 warning: no files found matching 'test_data/*.*' under directory 'qsprpred' 2024-07-02T14:44:01,694 warning: no files found matching '*.txt' under directory 'qsprpred' 2024-07-02T14:44:01,748 warning: no files found matching '*.md' under directory 'qsprpred' 2024-07-02T14:44:01,748 adding license file 'LICENSE' 2024-07-02T14:44:01,754 writing manifest file '/tmp/pip-modern-metadata-h2o0zf0v/qsprpred.egg-info/SOURCES.txt' 2024-07-02T14:44:01,760 creating '/tmp/pip-modern-metadata-h2o0zf0v/qsprpred-3.1.1.dist-info' 2024-07-02T14:44:01,922 Preparing metadata (pyproject.toml): finished with status 'done' 2024-07-02T14:44:01,928 Source in /tmp/pip-wheel-j1eki6fz/qsprpred_2c8a341de46b4493b321ced0c40b8aa5 has version 3.1.1, which satisfies requirement qsprpred==3.1.1 from https://files.pythonhosted.org/packages/d1/c4/7122df538a324abd7421a4f84cfc5b761460b1a51f1dfe2fcb01b8ff28e4/qsprpred-3.1.1.tar.gz 2024-07-02T14:44:01,929 Removed qsprpred==3.1.1 from https://files.pythonhosted.org/packages/d1/c4/7122df538a324abd7421a4f84cfc5b761460b1a51f1dfe2fcb01b8ff28e4/qsprpred-3.1.1.tar.gz from build tracker '/tmp/pip-build-tracker-a61jn6a8' 2024-07-02T14:44:01,936 Created temporary directory: /tmp/pip-unpack-338wgzkm 2024-07-02T14:44:01,937 Created temporary directory: /tmp/pip-unpack-_4_s0eba 2024-07-02T14:44:02,009 Building wheels for collected packages: qsprpred 2024-07-02T14:44:02,013 Created temporary directory: /tmp/pip-wheel-wxqijygb 2024-07-02T14:44:02,014 Destination directory: /tmp/pip-wheel-wxqijygb 2024-07-02T14:44:02,016 Building wheel for qsprpred (pyproject.toml): started 2024-07-02T14:44:02,017 Running command Building wheel for qsprpred (pyproject.toml) 2024-07-02T14:44:02,866 running bdist_wheel 2024-07-02T14:44:02,886 running build 2024-07-02T14:44:02,887 running build_py 2024-07-02T14:44:02,892 creating build 2024-07-02T14:44:02,893 creating build/lib 2024-07-02T14:44:02,893 creating build/lib/qsprpred 2024-07-02T14:44:02,895 copying qsprpred/predict_CLI.py -> build/lib/qsprpred 2024-07-02T14:44:02,897 copying qsprpred/_version.py -> build/lib/qsprpred 2024-07-02T14:44:02,899 copying qsprpred/data_CLI.py -> build/lib/qsprpred 2024-07-02T14:44:02,902 copying qsprpred/__init__.py -> build/lib/qsprpred 2024-07-02T14:44:02,903 copying qsprpred/tasks.py -> build/lib/qsprpred 2024-07-02T14:44:02,906 copying qsprpred/model_CLI.py -> build/lib/qsprpred 2024-07-02T14:44:02,909 creating build/lib/docs 2024-07-02T14:44:02,910 copying docs/style_guide.py -> build/lib/docs 2024-07-02T14:44:02,913 copying docs/conf.py -> build/lib/docs 2024-07-02T14:44:02,915 creating build/lib/qsprpred/utils 2024-07-02T14:44:02,916 copying qsprpred/utils/inspect.py -> build/lib/qsprpred/utils 2024-07-02T14:44:02,917 copying qsprpred/utils/parallel.py -> build/lib/qsprpred/utils 2024-07-02T14:44:02,920 copying qsprpred/utils/stringops.py -> build/lib/qsprpred/utils 2024-07-02T14:44:02,922 copying qsprpred/utils/tests.py -> build/lib/qsprpred/utils 2024-07-02T14:44:02,923 copying qsprpred/utils/__init__.py -> build/lib/qsprpred/utils 2024-07-02T14:44:02,925 copying qsprpred/utils/serialization.py -> build/lib/qsprpred/utils 2024-07-02T14:44:02,927 copying qsprpred/utils/stopwatch.py -> build/lib/qsprpred/utils 2024-07-02T14:44:02,929 creating build/lib/qsprpred/plotting 2024-07-02T14:44:02,930 copying qsprpred/plotting/base_plot.py -> build/lib/qsprpred/plotting 2024-07-02T14:44:02,932 copying qsprpred/plotting/grid_visualizers.py -> build/lib/qsprpred/plotting 2024-07-02T14:44:02,934 copying qsprpred/plotting/tests.py -> build/lib/qsprpred/plotting 2024-07-02T14:44:02,936 copying qsprpred/plotting/__init__.py -> build/lib/qsprpred/plotting 2024-07-02T14:44:02,938 copying qsprpred/plotting/regression.py -> build/lib/qsprpred/plotting 2024-07-02T14:44:02,940 copying qsprpred/plotting/classification.py -> build/lib/qsprpred/plotting 2024-07-02T14:44:02,943 creating build/lib/qsprpred/logs 2024-07-02T14:44:02,944 copying qsprpred/logs/utils.py -> build/lib/qsprpred/logs 2024-07-02T14:44:02,946 copying qsprpred/logs/__init__.py -> build/lib/qsprpred/logs 2024-07-02T14:44:02,948 copying qsprpred/logs/config.py -> build/lib/qsprpred/logs 2024-07-02T14:44:02,951 creating build/lib/qsprpred/data 2024-07-02T14:44:02,952 copying qsprpred/data/__init__.py -> build/lib/qsprpred/data 2024-07-02T14:44:02,954 creating build/lib/qsprpred/models 2024-07-02T14:44:02,955 copying qsprpred/models/early_stopping.py -> build/lib/qsprpred/models 2024-07-02T14:44:02,958 copying qsprpred/models/scikit_learn.py -> build/lib/qsprpred/models 2024-07-02T14:44:02,960 copying qsprpred/models/tests.py -> build/lib/qsprpred/models 2024-07-02T14:44:02,963 copying qsprpred/models/__init__.py -> build/lib/qsprpred/models 2024-07-02T14:44:02,964 copying qsprpred/models/monitors.py -> build/lib/qsprpred/models 2024-07-02T14:44:02,967 copying qsprpred/models/model.py -> build/lib/qsprpred/models 2024-07-02T14:44:02,970 copying qsprpred/models/hyperparam_optimization.py -> build/lib/qsprpred/models 2024-07-02T14:44:02,972 copying qsprpred/models/metrics.py -> build/lib/qsprpred/models 2024-07-02T14:44:02,974 creating build/lib/qsprpred/extra 2024-07-02T14:44:02,975 copying qsprpred/extra/__init__.py -> build/lib/qsprpred/extra 2024-07-02T14:44:02,977 creating build/lib/qsprpred/benchmarks 2024-07-02T14:44:02,978 copying qsprpred/benchmarks/replica.py -> build/lib/qsprpred/benchmarks 2024-07-02T14:44:02,980 copying qsprpred/benchmarks/runner.py -> build/lib/qsprpred/benchmarks 2024-07-02T14:44:02,983 copying qsprpred/benchmarks/tests.py -> build/lib/qsprpred/benchmarks 2024-07-02T14:44:02,985 copying qsprpred/benchmarks/__init__.py -> build/lib/qsprpred/benchmarks 2024-07-02T14:44:02,987 creating build/lib/qsprpred/utils/interfaces 2024-07-02T14:44:02,988 copying qsprpred/utils/interfaces/summarizable.py -> build/lib/qsprpred/utils/interfaces 2024-07-02T14:44:02,990 copying qsprpred/utils/interfaces/__init__.py -> build/lib/qsprpred/utils/interfaces 2024-07-02T14:44:02,991 copying qsprpred/utils/interfaces/randomized.py -> build/lib/qsprpred/utils/interfaces 2024-07-02T14:44:02,993 creating build/lib/qsprpred/utils/testing 2024-07-02T14:44:02,994 copying qsprpred/utils/testing/check_mixins.py -> build/lib/qsprpred/utils/testing 2024-07-02T14:44:02,997 copying qsprpred/utils/testing/path_mixins.py -> build/lib/qsprpred/utils/testing 2024-07-02T14:44:02,999 copying qsprpred/utils/testing/__init__.py -> build/lib/qsprpred/utils/testing 2024-07-02T14:44:03,001 copying qsprpred/utils/testing/base.py -> build/lib/qsprpred/utils/testing 2024-07-02T14:44:03,004 creating build/lib/qsprpred/data/chem 2024-07-02T14:44:03,005 copying qsprpred/data/chem/standardization.py -> build/lib/qsprpred/data/chem 2024-07-02T14:44:03,008 copying qsprpred/data/chem/scaffolds.py -> build/lib/qsprpred/data/chem 2024-07-02T14:44:03,010 copying qsprpred/data/chem/tests.py -> build/lib/qsprpred/data/chem 2024-07-02T14:44:03,011 copying qsprpred/data/chem/__init__.py -> build/lib/qsprpred/data/chem 2024-07-02T14:44:03,013 copying qsprpred/data/chem/clustering.py -> build/lib/qsprpred/data/chem 2024-07-02T14:44:03,015 copying qsprpred/data/chem/matching.py -> build/lib/qsprpred/data/chem 2024-07-02T14:44:03,017 creating build/lib/qsprpred/data/sampling 2024-07-02T14:44:03,018 copying qsprpred/data/sampling/folds.py -> build/lib/qsprpred/data/sampling 2024-07-02T14:44:03,020 copying qsprpred/data/sampling/tests.py -> build/lib/qsprpred/data/sampling 2024-07-02T14:44:03,023 copying qsprpred/data/sampling/__init__.py -> build/lib/qsprpred/data/sampling 2024-07-02T14:44:03,024 copying qsprpred/data/sampling/splits.py -> build/lib/qsprpred/data/sampling 2024-07-02T14:44:03,028 creating build/lib/qsprpred/data/tables 2024-07-02T14:44:03,029 copying qsprpred/data/tables/mol.py -> build/lib/qsprpred/data/tables 2024-07-02T14:44:03,032 copying qsprpred/data/tables/pandas.py -> build/lib/qsprpred/data/tables 2024-07-02T14:44:03,034 copying qsprpred/data/tables/qspr.py -> build/lib/qsprpred/data/tables 2024-07-02T14:44:03,038 copying qsprpred/data/tables/tests.py -> build/lib/qsprpred/data/tables 2024-07-02T14:44:03,041 copying qsprpred/data/tables/__init__.py -> build/lib/qsprpred/data/tables 2024-07-02T14:44:03,042 copying qsprpred/data/tables/base.py -> build/lib/qsprpred/data/tables 2024-07-02T14:44:03,045 copying qsprpred/data/tables/searchable.py -> build/lib/qsprpred/data/tables 2024-07-02T14:44:03,047 creating build/lib/qsprpred/data/descriptors 2024-07-02T14:44:03,048 copying qsprpred/data/descriptors/fingerprints.py -> build/lib/qsprpred/data/descriptors 2024-07-02T14:44:03,050 copying qsprpred/data/descriptors/sets.py -> build/lib/qsprpred/data/descriptors 2024-07-02T14:44:03,053 copying qsprpred/data/descriptors/tests.py -> build/lib/qsprpred/data/descriptors 2024-07-02T14:44:03,055 copying qsprpred/data/descriptors/__init__.py -> build/lib/qsprpred/data/descriptors 2024-07-02T14:44:03,057 creating build/lib/qsprpred/data/processing 2024-07-02T14:44:03,058 copying qsprpred/data/processing/feature_standardizers.py -> build/lib/qsprpred/data/processing 2024-07-02T14:44:03,060 copying qsprpred/data/processing/mol_processor.py -> build/lib/qsprpred/data/processing 2024-07-02T14:44:03,061 copying qsprpred/data/processing/tests.py -> build/lib/qsprpred/data/processing 2024-07-02T14:44:03,064 copying qsprpred/data/processing/__init__.py -> build/lib/qsprpred/data/processing 2024-07-02T14:44:03,065 copying qsprpred/data/processing/data_filters.py -> build/lib/qsprpred/data/processing 2024-07-02T14:44:03,067 copying qsprpred/data/processing/applicability_domain.py -> build/lib/qsprpred/data/processing 2024-07-02T14:44:03,069 copying qsprpred/data/processing/feature_filters.py -> build/lib/qsprpred/data/processing 2024-07-02T14:44:03,071 creating build/lib/qsprpred/data/sources 2024-07-02T14:44:03,072 copying qsprpred/data/sources/data_source.py -> build/lib/qsprpred/data/sources 2024-07-02T14:44:03,074 copying qsprpred/data/sources/__init__.py -> build/lib/qsprpred/data/sources 2024-07-02T14:44:03,076 creating build/lib/qsprpred/data/sources/papyrus 2024-07-02T14:44:03,077 copying qsprpred/data/sources/papyrus/papyrus_class.py -> build/lib/qsprpred/data/sources/papyrus 2024-07-02T14:44:03,079 copying qsprpred/data/sources/papyrus/__init__.py -> build/lib/qsprpred/data/sources/papyrus 2024-07-02T14:44:03,081 copying qsprpred/data/sources/papyrus/papyrus_filter.py -> build/lib/qsprpred/data/sources/papyrus 2024-07-02T14:44:03,083 creating build/lib/qsprpred/models/assessment 2024-07-02T14:44:03,084 copying qsprpred/models/assessment/methods.py -> build/lib/qsprpred/models/assessment 2024-07-02T14:44:03,087 copying qsprpred/models/assessment/__init__.py -> build/lib/qsprpred/models/assessment 2024-07-02T14:44:03,089 copying qsprpred/models/assessment/regression.py -> build/lib/qsprpred/models/assessment 2024-07-02T14:44:03,090 copying qsprpred/models/assessment/classification.py -> build/lib/qsprpred/models/assessment 2024-07-02T14:44:03,093 creating build/lib/qsprpred/extra/utils 2024-07-02T14:44:03,094 copying qsprpred/extra/utils/parallel.py -> build/lib/qsprpred/extra/utils 2024-07-02T14:44:03,096 copying qsprpred/extra/utils/tests.py -> build/lib/qsprpred/extra/utils 2024-07-02T14:44:03,097 copying qsprpred/extra/utils/__init__.py -> build/lib/qsprpred/extra/utils 2024-07-02T14:44:03,099 creating build/lib/qsprpred/extra/gpu 2024-07-02T14:44:03,100 copying qsprpred/extra/gpu/__init__.py -> build/lib/qsprpred/extra/gpu 2024-07-02T14:44:03,102 creating build/lib/qsprpred/extra/data 2024-07-02T14:44:03,103 copying qsprpred/extra/data/__init__.py -> build/lib/qsprpred/extra/data 2024-07-02T14:44:03,106 creating build/lib/qsprpred/extra/models 2024-07-02T14:44:03,106 copying qsprpred/extra/models/tests.py -> build/lib/qsprpred/extra/models 2024-07-02T14:44:03,109 copying qsprpred/extra/models/__init__.py -> build/lib/qsprpred/extra/models 2024-07-02T14:44:03,110 copying qsprpred/extra/models/random.py -> build/lib/qsprpred/extra/models 2024-07-02T14:44:03,113 copying qsprpred/extra/models/pcm.py -> build/lib/qsprpred/extra/models 2024-07-02T14:44:03,115 creating build/lib/qsprpred/extra/gpu/utils 2024-07-02T14:44:03,116 copying qsprpred/extra/gpu/utils/parallel.py -> build/lib/qsprpred/extra/gpu/utils 2024-07-02T14:44:03,118 copying qsprpred/extra/gpu/utils/tests.py -> build/lib/qsprpred/extra/gpu/utils 2024-07-02T14:44:03,120 copying qsprpred/extra/gpu/utils/__init__.py -> build/lib/qsprpred/extra/gpu/utils 2024-07-02T14:44:03,122 creating build/lib/qsprpred/extra/gpu/models 2024-07-02T14:44:03,123 copying qsprpred/extra/gpu/models/chemprop.py -> build/lib/qsprpred/extra/gpu/models 2024-07-02T14:44:03,126 copying qsprpred/extra/gpu/models/dnn.py -> build/lib/qsprpred/extra/gpu/models 2024-07-02T14:44:03,129 copying qsprpred/extra/gpu/models/neural_network.py -> build/lib/qsprpred/extra/gpu/models 2024-07-02T14:44:03,131 copying qsprpred/extra/gpu/models/tests.py -> build/lib/qsprpred/extra/gpu/models 2024-07-02T14:44:03,135 copying qsprpred/extra/gpu/models/__init__.py -> build/lib/qsprpred/extra/gpu/models 2024-07-02T14:44:03,136 copying qsprpred/extra/gpu/models/base.py -> build/lib/qsprpred/extra/gpu/models 2024-07-02T14:44:03,138 copying qsprpred/extra/gpu/models/base_torch.py -> build/lib/qsprpred/extra/gpu/models 2024-07-02T14:44:03,140 creating build/lib/qsprpred/extra/data/utils 2024-07-02T14:44:03,141 copying qsprpred/extra/data/utils/msa_calculator.py -> build/lib/qsprpred/extra/data/utils 2024-07-02T14:44:03,144 copying qsprpred/extra/data/utils/__init__.py -> build/lib/qsprpred/extra/data/utils 2024-07-02T14:44:03,145 creating build/lib/qsprpred/extra/data/sampling 2024-07-02T14:44:03,146 copying qsprpred/extra/data/sampling/tests.py -> build/lib/qsprpred/extra/data/sampling 2024-07-02T14:44:03,148 copying qsprpred/extra/data/sampling/__init__.py -> build/lib/qsprpred/extra/data/sampling 2024-07-02T14:44:03,150 copying qsprpred/extra/data/sampling/splits.py -> build/lib/qsprpred/extra/data/sampling 2024-07-02T14:44:03,153 creating build/lib/qsprpred/extra/data/tables 2024-07-02T14:44:03,153 copying qsprpred/extra/data/tables/tests.py -> build/lib/qsprpred/extra/data/tables 2024-07-02T14:44:03,155 copying qsprpred/extra/data/tables/__init__.py -> build/lib/qsprpred/extra/data/tables 2024-07-02T14:44:03,157 copying qsprpred/extra/data/tables/pcm.py -> build/lib/qsprpred/extra/data/tables 2024-07-02T14:44:03,160 creating build/lib/qsprpred/extra/data/descriptors 2024-07-02T14:44:03,161 copying qsprpred/extra/data/descriptors/fingerprints.py -> build/lib/qsprpred/extra/data/descriptors 2024-07-02T14:44:03,163 copying qsprpred/extra/data/descriptors/sets.py -> build/lib/qsprpred/extra/data/descriptors 2024-07-02T14:44:03,166 copying qsprpred/extra/data/descriptors/tests.py -> build/lib/qsprpred/extra/data/descriptors 2024-07-02T14:44:03,168 copying qsprpred/extra/data/descriptors/__init__.py -> build/lib/qsprpred/extra/data/descriptors 2024-07-02T14:44:03,170 creating build/lib/qsprpred/extra/data/utils/testing 2024-07-02T14:44:03,171 copying qsprpred/extra/data/utils/testing/path_mixins.py -> build/lib/qsprpred/extra/data/utils/testing 2024-07-02T14:44:03,173 copying qsprpred/extra/data/utils/testing/__init__.py -> build/lib/qsprpred/extra/data/utils/testing 2024-07-02T14:44:03,176 creating build/lib/qsprpred/benchmarks/settings 2024-07-02T14:44:03,177 copying qsprpred/benchmarks/settings/data_prep.py -> build/lib/qsprpred/benchmarks/settings 2024-07-02T14:44:03,179 copying qsprpred/benchmarks/settings/benchmark.py -> build/lib/qsprpred/benchmarks/settings 2024-07-02T14:44:03,181 copying qsprpred/benchmarks/settings/__init__.py -> build/lib/qsprpred/benchmarks/settings 2024-07-02T14:44:03,185 creating build/lib/testing 2024-07-02T14:44:03,185 creating build/lib/testing/test_consistency 2024-07-02T14:44:03,186 copying testing/test_consistency/run_benchmarks.py -> build/lib/testing/test_consistency 2024-07-02T14:44:03,189 copying testing/test_consistency/check_results.py -> build/lib/testing/test_consistency 2024-07-02T14:44:03,195 creating build/lib/tutorials 2024-07-02T14:44:03,196 creating build/lib/tutorials/tutorial_data 2024-07-02T14:44:03,197 copying tutorials/tutorial_data/create_tutorial_data.py -> build/lib/tutorials/tutorial_data 2024-07-02T14:44:03,202 running egg_info 2024-07-02T14:44:03,206 writing qsprpred.egg-info/PKG-INFO 2024-07-02T14:44:03,216 writing dependency_links to qsprpred.egg-info/dependency_links.txt 2024-07-02T14:44:03,222 writing requirements to qsprpred.egg-info/requires.txt 2024-07-02T14:44:03,223 writing top-level names to qsprpred.egg-info/top_level.txt 2024-07-02T14:44:03,293 ERROR setuptools_scm._file_finders.git listing git files failed - pretending there aren't any 2024-07-02T14:44:03,296 reading manifest file 'qsprpred.egg-info/SOURCES.txt' 2024-07-02T14:44:03,303 reading manifest template 'MANIFEST.in' 2024-07-02T14:44:03,367 warning: no files found matching 'test_data/*.*' under directory 'qsprpred' 2024-07-02T14:44:03,532 warning: no files found matching '*.txt' under directory 'qsprpred' 2024-07-02T14:44:03,588 warning: no files found matching '*.md' under directory 'qsprpred' 2024-07-02T14:44:03,589 adding license file 'LICENSE' 2024-07-02T14:44:03,599 writing manifest file 'qsprpred.egg-info/SOURCES.txt' 2024-07-02T14:44:03,633 creating build/lib/figures 2024-07-02T14:44:03,634 copying figures/QSPRpred_logo.jpg -> build/lib/figures 2024-07-02T14:44:03,636 copying figures/QSPRpred_workflow.png -> build/lib/figures 2024-07-02T14:44:03,642 copying testing/README.md -> build/lib/testing 2024-07-02T14:44:03,644 copying testing/run.sh -> build/lib/testing 2024-07-02T14:44:03,646 copying tutorials/README.md -> build/lib/tutorials 2024-07-02T14:44:03,648 copying tutorials/quick_start.ipynb -> build/lib/tutorials 2024-07-02T14:44:03,653 creating build/lib/scripts 2024-07-02T14:44:03,654 copying scripts/qsprpred -> build/lib/scripts 2024-07-02T14:44:03,656 copying docs/.gitignore -> build/lib/docs 2024-07-02T14:44:03,658 copying docs/Makefile -> build/lib/docs 2024-07-02T14:44:03,660 copying docs/cli_usage.rst -> build/lib/docs 2024-07-02T14:44:03,663 copying docs/features.rst -> build/lib/docs 2024-07-02T14:44:03,665 copying docs/index.rst -> build/lib/docs 2024-07-02T14:44:03,667 copying docs/install.rst -> build/lib/docs 2024-07-02T14:44:03,669 copying docs/make.sh -> build/lib/docs 2024-07-02T14:44:03,671 copying docs/requirements.txt -> build/lib/docs 2024-07-02T14:44:03,673 copying docs/upload.sh -> build/lib/docs 2024-07-02T14:44:03,675 creating build/lib/qsprpred/utils/testing/test_files 2024-07-02T14:44:03,676 copying qsprpred/utils/testing/test_files/earlystopping.json -> build/lib/qsprpred/utils/testing/test_files 2024-07-02T14:44:03,678 copying qsprpred/utils/testing/test_files/parameters.json -> build/lib/qsprpred/utils/testing/test_files 2024-07-02T14:44:03,680 copying qsprpred/utils/testing/test_files/search_space_test.json -> build/lib/qsprpred/utils/testing/test_files 2024-07-02T14:44:03,682 creating build/lib/qsprpred/utils/testing/test_files/data 2024-07-02T14:44:03,683 copying qsprpred/utils/testing/test_files/data/test_data.tsv -> build/lib/qsprpred/utils/testing/test_files/data 2024-07-02T14:44:03,685 copying qsprpred/utils/testing/test_files/data/test_data_large.tsv -> build/lib/qsprpred/utils/testing/test_files/data 2024-07-02T14:44:03,690 creating build/lib/qsprpred/utils/testing/test_files/test_predictor 2024-07-02T14:44:03,691 creating build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-07-02T14:44:03,692 copying qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.cv.tsv -> build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-07-02T14:44:03,695 copying qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.ind.tsv -> build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-07-02T14:44:03,697 copying qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.json -> build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-07-02T14:44:03,728 copying qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS_meta.json -> build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-07-02T14:44:03,733 copying qsprpred/extra/gpu/models/search_space.json -> build/lib/qsprpred/extra/gpu/models 2024-07-02T14:44:03,735 creating build/lib/qsprpred/extra/gpu/models/test_files 2024-07-02T14:44:03,736 copying qsprpred/extra/gpu/models/test_files/search_space_test.json -> build/lib/qsprpred/extra/gpu/models/test_files 2024-07-02T14:44:03,738 creating build/lib/qsprpred/extra/data/utils/testing/test_files 2024-07-02T14:44:03,739 creating build/lib/qsprpred/extra/data/utils/testing/test_files/data 2024-07-02T14:44:03,740 copying qsprpred/extra/data/utils/testing/test_files/data/pcm_sample.csv -> build/lib/qsprpred/extra/data/utils/testing/test_files/data 2024-07-02T14:44:03,743 copying qsprpred/extra/data/utils/testing/test_files/data/pcm_sample_targets.csv -> build/lib/qsprpred/extra/data/utils/testing/test_files/data 2024-07-02T14:44:03,745 creating build/lib/testing/runner 2024-07-02T14:44:03,746 copying testing/runner/.gitignore -> build/lib/testing/runner 2024-07-02T14:44:03,748 copying testing/runner/Dockerfile -> build/lib/testing/runner 2024-07-02T14:44:03,750 copying testing/runner/README.md -> build/lib/testing/runner 2024-07-02T14:44:03,752 copying testing/runner/docker-compose.yml -> build/lib/testing/runner 2024-07-02T14:44:03,754 copying testing/runner/entrypoint.sh -> build/lib/testing/runner 2024-07-02T14:44:03,756 copying testing/runner/runner.sh -> build/lib/testing/runner 2024-07-02T14:44:03,758 copying testing/runner/tests.sh -> build/lib/testing/runner 2024-07-02T14:44:03,760 creating build/lib/testing/test_cli 2024-07-02T14:44:03,760 copying testing/test_cli/run.sh -> build/lib/testing/test_cli 2024-07-02T14:44:03,763 creating build/lib/testing/test_tutorial 2024-07-02T14:44:03,764 copying testing/test_tutorial/prepare.sh -> build/lib/testing/test_tutorial 2024-07-02T14:44:03,766 copying testing/test_tutorial/run.sh -> build/lib/testing/test_tutorial 2024-07-02T14:44:03,768 creating build/lib/testing/test_pytest 2024-07-02T14:44:03,768 copying testing/test_pytest/.gitignore -> build/lib/testing/test_pytest 2024-07-02T14:44:03,777 copying testing/test_pytest/run.sh -> build/lib/testing/test_pytest 2024-07-02T14:44:03,779 copying testing/test_pytest/run_all.sh -> build/lib/testing/test_pytest 2024-07-02T14:44:03,781 copying testing/test_pytest/run_split.sh -> build/lib/testing/test_pytest 2024-07-02T14:44:03,783 copying testing/test_consistency/.gitignore -> build/lib/testing/test_consistency 2024-07-02T14:44:03,785 copying testing/test_consistency/run.sh -> build/lib/testing/test_consistency 2024-07-02T14:44:03,788 creating build/lib/testing/test_cli/data 2024-07-02T14:44:03,789 copying testing/test_cli/data/test_data_large.tsv -> build/lib/testing/test_cli/data 2024-07-02T14:44:03,794 creating build/lib/testing/test_cli/data/search_space 2024-07-02T14:44:03,795 copying testing/test_cli/data/search_space/search_space_test.json -> build/lib/testing/test_cli/data/search_space 2024-07-02T14:44:03,797 creating build/lib/testing/test_consistency/expected 2024-07-02T14:44:03,798 creating build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,799 copying testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit.cv.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,802 copying testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit.ind.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,804 copying testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,806 copying testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit_meta.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,810 copying testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit_replica.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,813 creating build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,814 copying testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit.cv.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,817 copying testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit.ind.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,819 copying testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,821 copying testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit_meta.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,825 copying testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit_replica.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,828 creating build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,829 copying testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit.cv.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,832 copying testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit.ind.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,834 copying testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,836 copying testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit_meta.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,839 copying testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit_replica.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,843 creating build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,844 copying testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit.cv.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,847 copying testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit.ind.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,849 copying testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,851 copying testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit_meta.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,854 copying testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit_replica.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,857 creating build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,858 copying testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit.cv.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,861 copying testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit.ind.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,864 copying testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,866 copying testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit_meta.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,869 copying testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit_replica.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,873 creating build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,874 copying testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit.cv.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,884 copying testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit.ind.tsv -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,887 copying testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,889 copying testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit_meta.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:03,893 copying testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit_replica.json -> build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:04,607 creating build/lib/tutorials/figures 2024-07-02T14:44:04,717 copying tutorials/figures/EarlyStopping.png -> build/lib/tutorials/figures 2024-07-02T14:44:05,129 creating build/lib/tutorials/basics 2024-07-02T14:44:05,130 creating build/lib/tutorials/basics/data 2024-07-02T14:44:05,134 copying tutorials/basics/data/applicability_domain.ipynb -> build/lib/tutorials/basics/data 2024-07-02T14:44:05,144 copying tutorials/basics/data/data_collection_with_papyrus.ipynb -> build/lib/tutorials/basics/data 2024-07-02T14:44:05,152 copying tutorials/basics/data/data_preparation.ipynb -> build/lib/tutorials/basics/data 2024-07-02T14:44:05,160 copying tutorials/basics/data/data_representation.ipynb -> build/lib/tutorials/basics/data 2024-07-02T14:44:05,175 copying tutorials/basics/data/data_splitting.ipynb -> build/lib/tutorials/basics/data 2024-07-02T14:44:05,196 copying tutorials/basics/data/descriptors.ipynb -> build/lib/tutorials/basics/data 2024-07-02T14:44:05,201 copying tutorials/basics/data/searching_filtering_plotting.ipynb -> build/lib/tutorials/basics/data 2024-07-02T14:44:05,222 creating build/lib/tutorials/basics/modelling 2024-07-02T14:44:05,224 copying tutorials/basics/modelling/classification.ipynb -> build/lib/tutorials/basics/modelling 2024-07-02T14:44:05,250 copying tutorials/basics/modelling/logging.ipynb -> build/lib/tutorials/basics/modelling 2024-07-02T14:44:05,253 copying tutorials/basics/modelling/model_assessment.ipynb -> build/lib/tutorials/basics/modelling 2024-07-02T14:44:05,256 creating build/lib/tutorials/basics/benchmarking 2024-07-02T14:44:05,257 copying tutorials/basics/benchmarking/benchmarking.ipynb -> build/lib/tutorials/basics/benchmarking 2024-07-02T14:44:05,264 creating build/lib/tutorials/advanced 2024-07-02T14:44:05,265 creating build/lib/tutorials/advanced/data 2024-07-02T14:44:05,267 copying tutorials/advanced/data/custom_descriptors.ipynb -> build/lib/tutorials/advanced/data 2024-07-02T14:44:05,270 copying tutorials/advanced/data/custom_splitting.ipynb -> build/lib/tutorials/advanced/data 2024-07-02T14:44:05,329 copying tutorials/advanced/data/parallelization.ipynb -> build/lib/tutorials/advanced/data 2024-07-02T14:44:05,334 creating build/lib/tutorials/advanced/modelling 2024-07-02T14:44:05,336 copying tutorials/advanced/modelling/PCM_modelling.ipynb -> build/lib/tutorials/advanced/modelling 2024-07-02T14:44:05,344 copying tutorials/advanced/modelling/chemprop_models.ipynb -> build/lib/tutorials/advanced/modelling 2024-07-02T14:44:05,350 copying tutorials/advanced/modelling/custom_models.ipynb -> build/lib/tutorials/advanced/modelling 2024-07-02T14:44:05,361 copying tutorials/advanced/modelling/deep_learning_models.ipynb -> build/lib/tutorials/advanced/modelling 2024-07-02T14:44:05,366 copying tutorials/advanced/modelling/hyperparameter_optimization.ipynb -> build/lib/tutorials/advanced/modelling 2024-07-02T14:44:05,370 copying tutorials/advanced/modelling/monitoring.ipynb -> build/lib/tutorials/advanced/modelling 2024-07-02T14:44:05,376 copying tutorials/advanced/modelling/multi_task_modelling.ipynb -> build/lib/tutorials/advanced/modelling 2024-07-02T14:44:05,387 creating build/lib/docs/_templates 2024-07-02T14:44:05,388 copying docs/_templates/layout.html -> build/lib/docs/_templates 2024-07-02T14:44:05,392 creating build/lib/docs/api 2024-07-02T14:44:05,394 copying docs/api/modules.rst -> build/lib/docs/api 2024-07-02T14:44:05,501 installing to build/bdist.linux-armv7l/wheel 2024-07-02T14:44:05,502 running install 2024-07-02T14:44:05,526 running install_lib 2024-07-02T14:44:05,647 creating build/bdist.linux-armv7l 2024-07-02T14:44:05,648 creating build/bdist.linux-armv7l/wheel 2024-07-02T14:44:05,650 creating build/bdist.linux-armv7l/wheel/figures 2024-07-02T14:44:05,652 copying build/lib/figures/QSPRpred_workflow.png -> build/bdist.linux-armv7l/wheel/figures 2024-07-02T14:44:05,895 copying build/lib/figures/QSPRpred_logo.jpg -> build/bdist.linux-armv7l/wheel/figures 2024-07-02T14:44:05,917 creating build/bdist.linux-armv7l/wheel/qsprpred 2024-07-02T14:44:05,923 copying build/lib/qsprpred/predict_CLI.py -> build/bdist.linux-armv7l/wheel/qsprpred 2024-07-02T14:44:05,944 copying build/lib/qsprpred/_version.py -> build/bdist.linux-armv7l/wheel/qsprpred 2024-07-02T14:44:05,959 creating build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-07-02T14:44:05,994 creating build/bdist.linux-armv7l/wheel/qsprpred/utils/interfaces 2024-07-02T14:44:05,997 copying build/lib/qsprpred/utils/interfaces/summarizable.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/interfaces 2024-07-02T14:44:06,078 copying build/lib/qsprpred/utils/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/interfaces 2024-07-02T14:44:06,110 copying build/lib/qsprpred/utils/interfaces/randomized.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/interfaces 2024-07-02T14:44:06,128 copying build/lib/qsprpred/utils/inspect.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-07-02T14:44:06,148 copying build/lib/qsprpred/utils/parallel.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-07-02T14:44:06,222 copying build/lib/qsprpred/utils/stringops.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-07-02T14:44:06,244 copying build/lib/qsprpred/utils/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-07-02T14:44:06,316 copying build/lib/qsprpred/utils/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-07-02T14:44:06,343 creating build/bdist.linux-armv7l/wheel/qsprpred/utils/testing 2024-07-02T14:44:06,352 copying build/lib/qsprpred/utils/testing/check_mixins.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing 2024-07-02T14:44:06,504 copying build/lib/qsprpred/utils/testing/path_mixins.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing 2024-07-02T14:44:06,522 copying build/lib/qsprpred/utils/testing/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing 2024-07-02T14:44:06,532 copying build/lib/qsprpred/utils/testing/base.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing 2024-07-02T14:44:06,676 creating build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files 2024-07-02T14:44:06,684 copying build/lib/qsprpred/utils/testing/test_files/earlystopping.json -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files 2024-07-02T14:44:06,706 copying build/lib/qsprpred/utils/testing/test_files/search_space_test.json -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files 2024-07-02T14:44:06,717 creating build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/test_predictor 2024-07-02T14:44:06,933 creating build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-07-02T14:44:06,940 copying build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.ind.tsv -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-07-02T14:44:07,012 copying build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.json -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-07-02T14:44:09,688 copying build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.cv.tsv -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-07-02T14:44:09,693 copying build/lib/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS_meta.json -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS 2024-07-02T14:44:09,701 copying build/lib/qsprpred/utils/testing/test_files/parameters.json -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files 2024-07-02T14:44:09,706 creating build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/data 2024-07-02T14:44:09,708 copying build/lib/qsprpred/utils/testing/test_files/data/test_data_large.tsv -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/data 2024-07-02T14:44:09,716 copying build/lib/qsprpred/utils/testing/test_files/data/test_data.tsv -> build/bdist.linux-armv7l/wheel/qsprpred/utils/testing/test_files/data 2024-07-02T14:44:09,720 copying build/lib/qsprpred/utils/serialization.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-07-02T14:44:09,725 copying build/lib/qsprpred/utils/stopwatch.py -> build/bdist.linux-armv7l/wheel/qsprpred/utils 2024-07-02T14:44:09,729 creating build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-07-02T14:44:09,730 copying build/lib/qsprpred/plotting/base_plot.py -> build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-07-02T14:44:09,734 copying build/lib/qsprpred/plotting/grid_visualizers.py -> build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-07-02T14:44:09,738 copying build/lib/qsprpred/plotting/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-07-02T14:44:09,742 copying build/lib/qsprpred/plotting/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-07-02T14:44:09,745 copying build/lib/qsprpred/plotting/regression.py -> build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-07-02T14:44:09,749 copying build/lib/qsprpred/plotting/classification.py -> build/bdist.linux-armv7l/wheel/qsprpred/plotting 2024-07-02T14:44:09,756 copying build/lib/qsprpred/data_CLI.py -> build/bdist.linux-armv7l/wheel/qsprpred 2024-07-02T14:44:09,769 copying build/lib/qsprpred/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred 2024-07-02T14:44:09,773 creating build/bdist.linux-armv7l/wheel/qsprpred/logs 2024-07-02T14:44:09,774 copying build/lib/qsprpred/logs/utils.py -> build/bdist.linux-armv7l/wheel/qsprpred/logs 2024-07-02T14:44:09,778 copying build/lib/qsprpred/logs/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/logs 2024-07-02T14:44:09,781 copying build/lib/qsprpred/logs/config.py -> build/bdist.linux-armv7l/wheel/qsprpred/logs 2024-07-02T14:44:09,786 creating build/bdist.linux-armv7l/wheel/qsprpred/data 2024-07-02T14:44:09,787 copying build/lib/qsprpred/data/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data 2024-07-02T14:44:09,791 creating build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-07-02T14:44:09,793 copying build/lib/qsprpred/data/chem/standardization.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-07-02T14:44:09,797 copying build/lib/qsprpred/data/chem/scaffolds.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-07-02T14:44:09,801 copying build/lib/qsprpred/data/chem/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-07-02T14:44:09,804 copying build/lib/qsprpred/data/chem/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-07-02T14:44:09,808 copying build/lib/qsprpred/data/chem/clustering.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-07-02T14:44:09,812 copying build/lib/qsprpred/data/chem/matching.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/chem 2024-07-02T14:44:09,816 creating build/bdist.linux-armv7l/wheel/qsprpred/data/sampling 2024-07-02T14:44:09,818 copying build/lib/qsprpred/data/sampling/folds.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sampling 2024-07-02T14:44:09,822 copying build/lib/qsprpred/data/sampling/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sampling 2024-07-02T14:44:09,826 copying build/lib/qsprpred/data/sampling/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sampling 2024-07-02T14:44:09,830 copying build/lib/qsprpred/data/sampling/splits.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sampling 2024-07-02T14:44:09,835 creating build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-07-02T14:44:09,837 copying build/lib/qsprpred/data/tables/mol.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-07-02T14:44:09,842 copying build/lib/qsprpred/data/tables/pandas.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-07-02T14:44:09,848 copying build/lib/qsprpred/data/tables/qspr.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-07-02T14:44:09,853 copying build/lib/qsprpred/data/tables/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-07-02T14:44:09,858 copying build/lib/qsprpred/data/tables/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-07-02T14:44:09,861 copying build/lib/qsprpred/data/tables/base.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-07-02T14:44:09,865 copying build/lib/qsprpred/data/tables/searchable.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/tables 2024-07-02T14:44:09,869 creating build/bdist.linux-armv7l/wheel/qsprpred/data/descriptors 2024-07-02T14:44:09,871 copying build/lib/qsprpred/data/descriptors/fingerprints.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/descriptors 2024-07-02T14:44:09,875 copying build/lib/qsprpred/data/descriptors/sets.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/descriptors 2024-07-02T14:44:09,881 copying build/lib/qsprpred/data/descriptors/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/descriptors 2024-07-02T14:44:09,885 copying build/lib/qsprpred/data/descriptors/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/descriptors 2024-07-02T14:44:09,888 creating build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-07-02T14:44:09,890 copying build/lib/qsprpred/data/processing/feature_standardizers.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-07-02T14:44:09,893 copying build/lib/qsprpred/data/processing/mol_processor.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-07-02T14:44:09,896 copying build/lib/qsprpred/data/processing/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-07-02T14:44:09,900 copying build/lib/qsprpred/data/processing/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-07-02T14:44:09,903 copying build/lib/qsprpred/data/processing/data_filters.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-07-02T14:44:09,907 copying build/lib/qsprpred/data/processing/applicability_domain.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-07-02T14:44:09,910 copying build/lib/qsprpred/data/processing/feature_filters.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/processing 2024-07-02T14:44:09,914 creating build/bdist.linux-armv7l/wheel/qsprpred/data/sources 2024-07-02T14:44:09,916 copying build/lib/qsprpred/data/sources/data_source.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sources 2024-07-02T14:44:09,920 copying build/lib/qsprpred/data/sources/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sources 2024-07-02T14:44:09,924 creating build/bdist.linux-armv7l/wheel/qsprpred/data/sources/papyrus 2024-07-02T14:44:09,926 copying build/lib/qsprpred/data/sources/papyrus/papyrus_class.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sources/papyrus 2024-07-02T14:44:09,930 copying build/lib/qsprpred/data/sources/papyrus/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sources/papyrus 2024-07-02T14:44:09,933 copying build/lib/qsprpred/data/sources/papyrus/papyrus_filter.py -> build/bdist.linux-armv7l/wheel/qsprpred/data/sources/papyrus 2024-07-02T14:44:09,938 creating build/bdist.linux-armv7l/wheel/qsprpred/models 2024-07-02T14:44:09,940 copying build/lib/qsprpred/models/early_stopping.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-07-02T14:44:09,944 copying build/lib/qsprpred/models/scikit_learn.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-07-02T14:44:09,950 copying build/lib/qsprpred/models/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-07-02T14:44:09,956 copying build/lib/qsprpred/models/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-07-02T14:44:09,960 creating build/bdist.linux-armv7l/wheel/qsprpred/models/assessment 2024-07-02T14:44:09,962 copying build/lib/qsprpred/models/assessment/methods.py -> build/bdist.linux-armv7l/wheel/qsprpred/models/assessment 2024-07-02T14:44:09,967 copying build/lib/qsprpred/models/assessment/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/models/assessment 2024-07-02T14:44:09,971 copying build/lib/qsprpred/models/assessment/regression.py -> build/bdist.linux-armv7l/wheel/qsprpred/models/assessment 2024-07-02T14:44:09,975 copying build/lib/qsprpred/models/assessment/classification.py -> build/bdist.linux-armv7l/wheel/qsprpred/models/assessment 2024-07-02T14:44:09,978 copying build/lib/qsprpred/models/monitors.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-07-02T14:44:09,985 copying build/lib/qsprpred/models/model.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-07-02T14:44:09,990 copying build/lib/qsprpred/models/hyperparam_optimization.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-07-02T14:44:09,995 copying build/lib/qsprpred/models/metrics.py -> build/bdist.linux-armv7l/wheel/qsprpred/models 2024-07-02T14:44:10,000 creating build/bdist.linux-armv7l/wheel/qsprpred/extra 2024-07-02T14:44:10,002 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/utils 2024-07-02T14:44:10,005 copying build/lib/qsprpred/extra/utils/parallel.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/utils 2024-07-02T14:44:10,009 copying build/lib/qsprpred/extra/utils/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/utils 2024-07-02T14:44:10,013 copying build/lib/qsprpred/extra/utils/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/utils 2024-07-02T14:44:10,016 copying build/lib/qsprpred/extra/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra 2024-07-02T14:44:10,020 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu 2024-07-02T14:44:10,023 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/utils 2024-07-02T14:44:10,025 copying build/lib/qsprpred/extra/gpu/utils/parallel.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/utils 2024-07-02T14:44:10,030 copying build/lib/qsprpred/extra/gpu/utils/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/utils 2024-07-02T14:44:10,034 copying build/lib/qsprpred/extra/gpu/utils/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/utils 2024-07-02T14:44:10,037 copying build/lib/qsprpred/extra/gpu/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu 2024-07-02T14:44:10,041 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-07-02T14:44:10,043 copying build/lib/qsprpred/extra/gpu/models/chemprop.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-07-02T14:44:10,047 copying build/lib/qsprpred/extra/gpu/models/dnn.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-07-02T14:44:10,051 copying build/lib/qsprpred/extra/gpu/models/search_space.json -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-07-02T14:44:10,054 copying build/lib/qsprpred/extra/gpu/models/neural_network.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-07-02T14:44:10,058 copying build/lib/qsprpred/extra/gpu/models/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-07-02T14:44:10,063 copying build/lib/qsprpred/extra/gpu/models/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-07-02T14:44:10,066 copying build/lib/qsprpred/extra/gpu/models/base.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-07-02T14:44:10,068 copying build/lib/qsprpred/extra/gpu/models/base_torch.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models 2024-07-02T14:44:10,072 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models/test_files 2024-07-02T14:44:10,073 copying build/lib/qsprpred/extra/gpu/models/test_files/search_space_test.json -> build/bdist.linux-armv7l/wheel/qsprpred/extra/gpu/models/test_files 2024-07-02T14:44:10,077 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data 2024-07-02T14:44:10,079 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils 2024-07-02T14:44:10,081 copying build/lib/qsprpred/extra/data/utils/msa_calculator.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils 2024-07-02T14:44:10,084 copying build/lib/qsprpred/extra/data/utils/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils 2024-07-02T14:44:10,088 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing 2024-07-02T14:44:10,089 copying build/lib/qsprpred/extra/data/utils/testing/path_mixins.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing 2024-07-02T14:44:10,092 copying build/lib/qsprpred/extra/data/utils/testing/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing 2024-07-02T14:44:10,096 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing/test_files 2024-07-02T14:44:10,098 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing/test_files/data 2024-07-02T14:44:10,100 copying build/lib/qsprpred/extra/data/utils/testing/test_files/data/pcm_sample_targets.csv -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing/test_files/data 2024-07-02T14:44:10,103 copying build/lib/qsprpred/extra/data/utils/testing/test_files/data/pcm_sample.csv -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/utils/testing/test_files/data 2024-07-02T14:44:10,107 copying build/lib/qsprpred/extra/data/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data 2024-07-02T14:44:10,111 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/sampling 2024-07-02T14:44:10,112 copying build/lib/qsprpred/extra/data/sampling/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/sampling 2024-07-02T14:44:10,116 copying build/lib/qsprpred/extra/data/sampling/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/sampling 2024-07-02T14:44:10,119 copying build/lib/qsprpred/extra/data/sampling/splits.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/sampling 2024-07-02T14:44:10,123 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/tables 2024-07-02T14:44:10,125 copying build/lib/qsprpred/extra/data/tables/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/tables 2024-07-02T14:44:10,128 copying build/lib/qsprpred/extra/data/tables/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/tables 2024-07-02T14:44:10,131 copying build/lib/qsprpred/extra/data/tables/pcm.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/tables 2024-07-02T14:44:10,136 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/data/descriptors 2024-07-02T14:44:10,138 copying build/lib/qsprpred/extra/data/descriptors/fingerprints.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/descriptors 2024-07-02T14:44:10,142 copying build/lib/qsprpred/extra/data/descriptors/sets.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/descriptors 2024-07-02T14:44:10,145 copying build/lib/qsprpred/extra/data/descriptors/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/descriptors 2024-07-02T14:44:10,150 copying build/lib/qsprpred/extra/data/descriptors/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/data/descriptors 2024-07-02T14:44:10,154 creating build/bdist.linux-armv7l/wheel/qsprpred/extra/models 2024-07-02T14:44:10,155 copying build/lib/qsprpred/extra/models/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/models 2024-07-02T14:44:10,160 copying build/lib/qsprpred/extra/models/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/models 2024-07-02T14:44:10,163 copying build/lib/qsprpred/extra/models/random.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/models 2024-07-02T14:44:10,170 copying build/lib/qsprpred/extra/models/pcm.py -> build/bdist.linux-armv7l/wheel/qsprpred/extra/models 2024-07-02T14:44:10,173 copying build/lib/qsprpred/tasks.py -> build/bdist.linux-armv7l/wheel/qsprpred 2024-07-02T14:44:10,177 copying build/lib/qsprpred/model_CLI.py -> build/bdist.linux-armv7l/wheel/qsprpred 2024-07-02T14:44:10,182 creating build/bdist.linux-armv7l/wheel/qsprpred/benchmarks 2024-07-02T14:44:10,184 creating build/bdist.linux-armv7l/wheel/qsprpred/benchmarks/settings 2024-07-02T14:44:10,186 copying build/lib/qsprpred/benchmarks/settings/data_prep.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks/settings 2024-07-02T14:44:10,190 copying build/lib/qsprpred/benchmarks/settings/benchmark.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks/settings 2024-07-02T14:44:10,193 copying build/lib/qsprpred/benchmarks/settings/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks/settings 2024-07-02T14:44:10,196 copying build/lib/qsprpred/benchmarks/replica.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks 2024-07-02T14:44:10,200 copying build/lib/qsprpred/benchmarks/runner.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks 2024-07-02T14:44:10,204 copying build/lib/qsprpred/benchmarks/tests.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks 2024-07-02T14:44:10,208 copying build/lib/qsprpred/benchmarks/__init__.py -> build/bdist.linux-armv7l/wheel/qsprpred/benchmarks 2024-07-02T14:44:10,211 creating build/bdist.linux-armv7l/wheel/testing 2024-07-02T14:44:10,215 creating build/bdist.linux-armv7l/wheel/testing/runner 2024-07-02T14:44:10,217 copying build/lib/testing/runner/entrypoint.sh -> build/bdist.linux-armv7l/wheel/testing/runner 2024-07-02T14:44:10,229 copying build/lib/testing/runner/Dockerfile -> build/bdist.linux-armv7l/wheel/testing/runner 2024-07-02T14:44:10,233 copying build/lib/testing/runner/docker-compose.yml -> build/bdist.linux-armv7l/wheel/testing/runner 2024-07-02T14:44:10,237 copying build/lib/testing/runner/tests.sh -> build/bdist.linux-armv7l/wheel/testing/runner 2024-07-02T14:44:10,241 copying build/lib/testing/runner/runner.sh -> build/bdist.linux-armv7l/wheel/testing/runner 2024-07-02T14:44:10,244 copying build/lib/testing/runner/README.md -> build/bdist.linux-armv7l/wheel/testing/runner 2024-07-02T14:44:10,247 copying build/lib/testing/runner/.gitignore -> build/bdist.linux-armv7l/wheel/testing/runner 2024-07-02T14:44:10,250 copying build/lib/testing/run.sh -> build/bdist.linux-armv7l/wheel/testing 2024-07-02T14:44:10,255 creating build/bdist.linux-armv7l/wheel/testing/test_cli 2024-07-02T14:44:10,257 copying build/lib/testing/test_cli/run.sh -> build/bdist.linux-armv7l/wheel/testing/test_cli 2024-07-02T14:44:10,261 creating build/bdist.linux-armv7l/wheel/testing/test_cli/data 2024-07-02T14:44:10,262 copying build/lib/testing/test_cli/data/test_data_large.tsv -> build/bdist.linux-armv7l/wheel/testing/test_cli/data 2024-07-02T14:44:10,270 creating build/bdist.linux-armv7l/wheel/testing/test_cli/data/search_space 2024-07-02T14:44:10,272 copying build/lib/testing/test_cli/data/search_space/search_space_test.json -> build/bdist.linux-armv7l/wheel/testing/test_cli/data/search_space 2024-07-02T14:44:10,275 creating build/bdist.linux-armv7l/wheel/testing/test_tutorial 2024-07-02T14:44:10,277 copying build/lib/testing/test_tutorial/run.sh -> build/bdist.linux-armv7l/wheel/testing/test_tutorial 2024-07-02T14:44:10,280 copying build/lib/testing/test_tutorial/prepare.sh -> build/bdist.linux-armv7l/wheel/testing/test_tutorial 2024-07-02T14:44:10,284 creating build/bdist.linux-armv7l/wheel/testing/test_pytest 2024-07-02T14:44:10,285 copying build/lib/testing/test_pytest/run_all.sh -> build/bdist.linux-armv7l/wheel/testing/test_pytest 2024-07-02T14:44:10,289 copying build/lib/testing/test_pytest/run.sh -> build/bdist.linux-armv7l/wheel/testing/test_pytest 2024-07-02T14:44:10,291 copying build/lib/testing/test_pytest/run_split.sh -> build/bdist.linux-armv7l/wheel/testing/test_pytest 2024-07-02T14:44:10,294 copying build/lib/testing/test_pytest/.gitignore -> build/bdist.linux-armv7l/wheel/testing/test_pytest 2024-07-02T14:44:10,296 copying build/lib/testing/README.md -> build/bdist.linux-armv7l/wheel/testing 2024-07-02T14:44:10,299 creating build/bdist.linux-armv7l/wheel/testing/test_consistency 2024-07-02T14:44:10,300 copying build/lib/testing/test_consistency/run.sh -> build/bdist.linux-armv7l/wheel/testing/test_consistency 2024-07-02T14:44:10,304 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected 2024-07-02T14:44:10,306 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,307 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit_meta.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,312 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit.ind.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,315 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit_replica.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,320 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit.cv.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,324 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,327 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,329 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit_meta.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,334 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,337 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit.cv.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,341 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit.ind.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,345 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit_replica.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,350 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,352 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit_replica.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,357 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,361 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit.ind.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,365 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit_meta.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,371 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit.cv.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_478163327_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,376 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,378 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,382 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit.cv.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,385 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit_replica.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,389 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit.ind.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,392 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit_meta.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_107420369_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,397 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,399 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit.cv.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,402 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit_replica.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,406 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,409 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit.ind.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,412 copying build/lib/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit_meta.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksCLS_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,417 creating build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,419 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit.cv.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,422 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit_replica.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,426 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,428 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit_meta.json -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,434 copying build/lib/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit.ind.tsv -> build/bdist.linux-armv7l/wheel/testing/test_consistency/expected/ConsistencyChecksREG_1181241943_ConsistencyChecks_MorganFP_RDkit 2024-07-02T14:44:10,438 copying build/lib/testing/test_consistency/run_benchmarks.py -> build/bdist.linux-armv7l/wheel/testing/test_consistency 2024-07-02T14:44:10,441 copying build/lib/testing/test_consistency/.gitignore -> build/bdist.linux-armv7l/wheel/testing/test_consistency 2024-07-02T14:44:10,442 copying build/lib/testing/test_consistency/check_results.py -> build/bdist.linux-armv7l/wheel/testing/test_consistency 2024-07-02T14:44:10,445 creating build/bdist.linux-armv7l/wheel/tutorials 2024-07-02T14:44:10,448 creating build/bdist.linux-armv7l/wheel/tutorials/basics 2024-07-02T14:44:10,449 creating build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-07-02T14:44:10,450 copying build/lib/tutorials/basics/data/applicability_domain.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-07-02T14:44:10,456 copying build/lib/tutorials/basics/data/data_collection_with_papyrus.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-07-02T14:44:10,460 copying build/lib/tutorials/basics/data/descriptors.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-07-02T14:44:10,464 copying build/lib/tutorials/basics/data/data_splitting.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-07-02T14:44:10,479 copying build/lib/tutorials/basics/data/data_preparation.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-07-02T14:44:10,483 copying build/lib/tutorials/basics/data/data_representation.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-07-02T14:44:10,489 copying build/lib/tutorials/basics/data/searching_filtering_plotting.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/data 2024-07-02T14:44:10,515 creating build/bdist.linux-armv7l/wheel/tutorials/basics/modelling 2024-07-02T14:44:10,516 copying build/lib/tutorials/basics/modelling/logging.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/modelling 2024-07-02T14:44:10,520 copying build/lib/tutorials/basics/modelling/model_assessment.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/modelling 2024-07-02T14:44:10,522 copying build/lib/tutorials/basics/modelling/classification.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/modelling 2024-07-02T14:44:10,544 creating build/bdist.linux-armv7l/wheel/tutorials/basics/benchmarking 2024-07-02T14:44:10,545 copying build/lib/tutorials/basics/benchmarking/benchmarking.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/basics/benchmarking 2024-07-02T14:44:10,550 creating build/bdist.linux-armv7l/wheel/tutorials/figures 2024-07-02T14:44:10,551 copying build/lib/tutorials/figures/EarlyStopping.png -> build/bdist.linux-armv7l/wheel/tutorials/figures 2024-07-02T14:44:10,557 copying build/lib/tutorials/quick_start.ipynb -> build/bdist.linux-armv7l/wheel/tutorials 2024-07-02T14:44:10,562 creating build/bdist.linux-armv7l/wheel/tutorials/tutorial_data 2024-07-02T14:44:10,563 copying build/lib/tutorials/tutorial_data/create_tutorial_data.py -> build/bdist.linux-armv7l/wheel/tutorials/tutorial_data 2024-07-02T14:44:10,565 copying build/lib/tutorials/README.md -> build/bdist.linux-armv7l/wheel/tutorials 2024-07-02T14:44:10,568 creating build/bdist.linux-armv7l/wheel/tutorials/advanced 2024-07-02T14:44:10,570 creating build/bdist.linux-armv7l/wheel/tutorials/advanced/data 2024-07-02T14:44:10,571 copying build/lib/tutorials/advanced/data/parallelization.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/data 2024-07-02T14:44:10,575 copying build/lib/tutorials/advanced/data/custom_splitting.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/data 2024-07-02T14:44:10,583 copying build/lib/tutorials/advanced/data/custom_descriptors.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/data 2024-07-02T14:44:10,587 creating build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-07-02T14:44:10,589 copying build/lib/tutorials/advanced/modelling/PCM_modelling.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-07-02T14:44:10,597 copying build/lib/tutorials/advanced/modelling/deep_learning_models.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-07-02T14:44:10,600 copying build/lib/tutorials/advanced/modelling/monitoring.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-07-02T14:44:10,605 copying build/lib/tutorials/advanced/modelling/hyperparameter_optimization.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-07-02T14:44:10,609 copying build/lib/tutorials/advanced/modelling/multi_task_modelling.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-07-02T14:44:10,623 copying build/lib/tutorials/advanced/modelling/chemprop_models.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-07-02T14:44:10,628 copying build/lib/tutorials/advanced/modelling/custom_models.ipynb -> build/bdist.linux-armv7l/wheel/tutorials/advanced/modelling 2024-07-02T14:44:10,641 creating build/bdist.linux-armv7l/wheel/scripts 2024-07-02T14:44:10,642 copying build/lib/scripts/qsprpred -> build/bdist.linux-armv7l/wheel/scripts 2024-07-02T14:44:10,645 creating build/bdist.linux-armv7l/wheel/docs 2024-07-02T14:44:10,646 copying build/lib/docs/style_guide.py -> build/bdist.linux-armv7l/wheel/docs 2024-07-02T14:44:10,649 copying build/lib/docs/conf.py -> build/bdist.linux-armv7l/wheel/docs 2024-07-02T14:44:10,651 creating build/bdist.linux-armv7l/wheel/docs/_templates 2024-07-02T14:44:10,652 copying build/lib/docs/_templates/layout.html -> build/bdist.linux-armv7l/wheel/docs/_templates 2024-07-02T14:44:10,654 copying build/lib/docs/requirements.txt -> build/bdist.linux-armv7l/wheel/docs 2024-07-02T14:44:10,656 copying build/lib/docs/features.rst -> build/bdist.linux-armv7l/wheel/docs 2024-07-02T14:44:10,659 copying build/lib/docs/Makefile -> build/bdist.linux-armv7l/wheel/docs 2024-07-02T14:44:10,662 creating build/bdist.linux-armv7l/wheel/docs/api 2024-07-02T14:44:10,663 copying build/lib/docs/api/modules.rst -> build/bdist.linux-armv7l/wheel/docs/api 2024-07-02T14:44:10,665 copying build/lib/docs/install.rst -> build/bdist.linux-armv7l/wheel/docs 2024-07-02T14:44:10,667 copying build/lib/docs/make.sh -> build/bdist.linux-armv7l/wheel/docs 2024-07-02T14:44:10,669 copying build/lib/docs/upload.sh -> build/bdist.linux-armv7l/wheel/docs 2024-07-02T14:44:10,671 copying build/lib/docs/index.rst -> build/bdist.linux-armv7l/wheel/docs 2024-07-02T14:44:10,673 copying build/lib/docs/.gitignore -> build/bdist.linux-armv7l/wheel/docs 2024-07-02T14:44:10,676 copying build/lib/docs/cli_usage.rst -> build/bdist.linux-armv7l/wheel/docs 2024-07-02T14:44:10,678 running install_egg_info 2024-07-02T14:44:10,683 Copying qsprpred.egg-info to build/bdist.linux-armv7l/wheel/qsprpred-3.1.1-py3.11.egg-info 2024-07-02T14:44:10,697 running install_scripts 2024-07-02T14:44:10,721 creating build/bdist.linux-armv7l/wheel/qsprpred-3.1.1.dist-info/WHEEL 2024-07-02T14:44:10,725 creating '/tmp/pip-wheel-wxqijygb/.tmp-st_qxabd/qsprpred-3.1.1-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2024-07-02T14:44:10,729 adding 'docs/.gitignore' 2024-07-02T14:44:10,730 adding 'docs/Makefile' 2024-07-02T14:44:10,733 adding 'docs/cli_usage.rst' 2024-07-02T14:44:10,735 adding 'docs/conf.py' 2024-07-02T14:44:10,737 adding 'docs/features.rst' 2024-07-02T14:44:10,738 adding 'docs/index.rst' 2024-07-02T14:44:10,739 adding 'docs/install.rst' 2024-07-02T14:44:10,741 adding 'docs/make.sh' 2024-07-02T14:44:10,742 adding 'docs/requirements.txt' 2024-07-02T14:44:10,744 adding 'docs/style_guide.py' 2024-07-02T14:44:10,745 adding 'docs/upload.sh' 2024-07-02T14:44:10,747 adding 'docs/_templates/layout.html' 2024-07-02T14:44:10,752 adding 'docs/api/modules.rst' 2024-07-02T14:44:10,754 adding 'figures/QSPRpred_logo.jpg' 2024-07-02T14:44:10,774 adding 'figures/QSPRpred_workflow.png' 2024-07-02T14:44:10,777 adding 'qsprpred/__init__.py' 2024-07-02T14:44:10,778 adding 'qsprpred/_version.py' 2024-07-02T14:44:10,781 adding 'qsprpred/data_CLI.py' 2024-07-02T14:44:10,783 adding 'qsprpred/model_CLI.py' 2024-07-02T14:44:10,784 adding 'qsprpred/predict_CLI.py' 2024-07-02T14:44:10,786 adding 'qsprpred/tasks.py' 2024-07-02T14:44:10,788 adding 'qsprpred/benchmarks/__init__.py' 2024-07-02T14:44:10,790 adding 'qsprpred/benchmarks/replica.py' 2024-07-02T14:44:10,792 adding 'qsprpred/benchmarks/runner.py' 2024-07-02T14:44:10,794 adding 'qsprpred/benchmarks/tests.py' 2024-07-02T14:44:10,795 adding 'qsprpred/benchmarks/settings/__init__.py' 2024-07-02T14:44:10,796 adding 'qsprpred/benchmarks/settings/benchmark.py' 2024-07-02T14:44:10,797 adding 'qsprpred/benchmarks/settings/data_prep.py' 2024-07-02T14:44:10,799 adding 'qsprpred/data/__init__.py' 2024-07-02T14:44:10,801 adding 'qsprpred/data/chem/__init__.py' 2024-07-02T14:44:10,802 adding 'qsprpred/data/chem/clustering.py' 2024-07-02T14:44:10,803 adding 'qsprpred/data/chem/matching.py' 2024-07-02T14:44:10,805 adding 'qsprpred/data/chem/scaffolds.py' 2024-07-02T14:44:10,807 adding 'qsprpred/data/chem/standardization.py' 2024-07-02T14:44:10,809 adding 'qsprpred/data/chem/tests.py' 2024-07-02T14:44:10,811 adding 'qsprpred/data/descriptors/__init__.py' 2024-07-02T14:44:10,813 adding 'qsprpred/data/descriptors/fingerprints.py' 2024-07-02T14:44:10,815 adding 'qsprpred/data/descriptors/sets.py' 2024-07-02T14:44:10,817 adding 'qsprpred/data/descriptors/tests.py' 2024-07-02T14:44:10,819 adding 'qsprpred/data/processing/__init__.py' 2024-07-02T14:44:10,820 adding 'qsprpred/data/processing/applicability_domain.py' 2024-07-02T14:44:10,821 adding 'qsprpred/data/processing/data_filters.py' 2024-07-02T14:44:10,823 adding 'qsprpred/data/processing/feature_filters.py' 2024-07-02T14:44:10,824 adding 'qsprpred/data/processing/feature_standardizers.py' 2024-07-02T14:44:10,826 adding 'qsprpred/data/processing/mol_processor.py' 2024-07-02T14:44:10,828 adding 'qsprpred/data/processing/tests.py' 2024-07-02T14:44:10,830 adding 'qsprpred/data/sampling/__init__.py' 2024-07-02T14:44:10,831 adding 'qsprpred/data/sampling/folds.py' 2024-07-02T14:44:10,834 adding 'qsprpred/data/sampling/splits.py' 2024-07-02T14:44:10,836 adding 'qsprpred/data/sampling/tests.py' 2024-07-02T14:44:10,838 adding 'qsprpred/data/sources/__init__.py' 2024-07-02T14:44:10,840 adding 'qsprpred/data/sources/data_source.py' 2024-07-02T14:44:10,841 adding 'qsprpred/data/sources/papyrus/__init__.py' 2024-07-02T14:44:10,843 adding 'qsprpred/data/sources/papyrus/papyrus_class.py' 2024-07-02T14:44:10,844 adding 'qsprpred/data/sources/papyrus/papyrus_filter.py' 2024-07-02T14:44:10,846 adding 'qsprpred/data/tables/__init__.py' 2024-07-02T14:44:10,848 adding 'qsprpred/data/tables/base.py' 2024-07-02T14:44:10,853 adding 'qsprpred/data/tables/mol.py' 2024-07-02T14:44:10,856 adding 'qsprpred/data/tables/pandas.py' 2024-07-02T14:44:10,862 adding 'qsprpred/data/tables/qspr.py' 2024-07-02T14:44:10,864 adding 'qsprpred/data/tables/searchable.py' 2024-07-02T14:44:10,867 adding 'qsprpred/data/tables/tests.py' 2024-07-02T14:44:10,869 adding 'qsprpred/extra/__init__.py' 2024-07-02T14:44:10,871 adding 'qsprpred/extra/data/__init__.py' 2024-07-02T14:44:10,873 adding 'qsprpred/extra/data/descriptors/__init__.py' 2024-07-02T14:44:10,874 adding 'qsprpred/extra/data/descriptors/fingerprints.py' 2024-07-02T14:44:10,877 adding 'qsprpred/extra/data/descriptors/sets.py' 2024-07-02T14:44:10,879 adding 'qsprpred/extra/data/descriptors/tests.py' 2024-07-02T14:44:10,880 adding 'qsprpred/extra/data/sampling/__init__.py' 2024-07-02T14:44:10,882 adding 'qsprpred/extra/data/sampling/splits.py' 2024-07-02T14:44:10,884 adding 'qsprpred/extra/data/sampling/tests.py' 2024-07-02T14:44:10,886 adding 'qsprpred/extra/data/tables/__init__.py' 2024-07-02T14:44:10,888 adding 'qsprpred/extra/data/tables/pcm.py' 2024-07-02T14:44:10,890 adding 'qsprpred/extra/data/tables/tests.py' 2024-07-02T14:44:10,892 adding 'qsprpred/extra/data/utils/__init__.py' 2024-07-02T14:44:10,894 adding 'qsprpred/extra/data/utils/msa_calculator.py' 2024-07-02T14:44:10,896 adding 'qsprpred/extra/data/utils/testing/__init__.py' 2024-07-02T14:44:10,897 adding 'qsprpred/extra/data/utils/testing/path_mixins.py' 2024-07-02T14:44:10,901 adding 'qsprpred/extra/data/utils/testing/test_files/data/pcm_sample.csv' 2024-07-02T14:44:10,903 adding 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