2025-12-07T00:45:26,536 Created temporary directory: /tmp/pip-ephem-wheel-cache-nxqaq0cf 2025-12-07T00:45:26,538 Created temporary directory: /tmp/pip-build-tracker-hy6q1b6z 2025-12-07T00:45:26,538 Initialized build tracking at /tmp/pip-build-tracker-hy6q1b6z 2025-12-07T00:45:26,539 Created build tracker: /tmp/pip-build-tracker-hy6q1b6z 2025-12-07T00:45:26,539 Entered build tracker: /tmp/pip-build-tracker-hy6q1b6z 2025-12-07T00:45:26,540 Created temporary directory: /tmp/pip-wheel-mfjkb5lr 2025-12-07T00:45:26,543 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2025-12-07T00:45:26,545 Created temporary directory: /tmp/pip-ephem-wheel-cache-2c36z70l 2025-12-07T00:45:26,567 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-12-07T00:45:26,571 2 location(s) to search for versions of deeporigin: 2025-12-07T00:45:26,571 * https://pypi.org/simple/deeporigin/ 2025-12-07T00:45:26,571 * https://www.piwheels.org/simple/deeporigin/ 2025-12-07T00:45:26,572 Fetching project page and analyzing links: https://pypi.org/simple/deeporigin/ 2025-12-07T00:45:26,573 Getting page https://pypi.org/simple/deeporigin/ 2025-12-07T00:45:26,574 Found index url https://pypi.org/simple 2025-12-07T00:45:26,792 Fetched page https://pypi.org/simple/deeporigin/ as application/vnd.pypi.simple.v1+json 2025-12-07T00:45:26,824 Found link https://files.pythonhosted.org/packages/90/d2/3b1b1ec399b2a581aad74d2102ae077a360f5c7b84ebe831d9701e0cdfb3/deeporigin-0.0.3.tar.gz (from 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https://files.pythonhosted.org/packages/37/85/27e43fd81f1b025fa58fffb01fc1445901b3f22a976f586174785f1fd861/deeporigin-2.5.1.tar.gz (from https://pypi.org/simple/deeporigin/), version: 2.5.1 2025-12-07T00:45:26,858 Found link https://files.pythonhosted.org/packages/b5/2b/f4344a2fe55ce179a93c60df25ed1939d3957049e87183071ef547c5bb1e/deeporigin-2.5.2.tar.gz (from https://pypi.org/simple/deeporigin/), version: 2.5.2 2025-12-07T00:45:26,859 Found link https://files.pythonhosted.org/packages/2b/0b/e7d8c49b0dbe6927239da5f1bc95996f7d0e3cfdba199f968519d41acdb9/deeporigin-2.5.3.tar.gz (from https://pypi.org/simple/deeporigin/), version: 2.5.3 2025-12-07T00:45:26,860 Found link https://files.pythonhosted.org/packages/bf/a6/ed674342185129d919bcc21e7dc7ea75b1d8005789e65e390fc370af0f8f/deeporigin-3.0.0.tar.gz (from https://pypi.org/simple/deeporigin/), version: 3.0.0 2025-12-07T00:45:26,861 Found link 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https://archive1.piwheels.org/simple/deeporigin/deeporigin-0.0.3-py2.py3-none-any.whl#sha256=937fc5d3cc68f790cbc2bf087948b9bd0a6ac3435bbbb0fd5840ca3c5ac16681 (from https://www.piwheels.org/simple/deeporigin/) 2025-12-07T00:45:27,202 Skipping link: not a file: https://www.piwheels.org/simple/deeporigin/ 2025-12-07T00:45:27,203 Skipping link: not a file: https://pypi.org/simple/deeporigin/ 2025-12-07T00:45:27,236 Given no hashes to check 1 links for project 'deeporigin': discarding no candidates 2025-12-07T00:45:27,254 Collecting deeporigin==4.3.0 2025-12-07T00:45:27,257 Created temporary directory: /tmp/pip-unpack-l88go9sd 2025-12-07T00:45:27,393 Downloading deeporigin-4.3.0.tar.gz (227 kB) 2025-12-07T00:45:27,689 Added deeporigin==4.3.0 from https://files.pythonhosted.org/packages/f2/e2/92e891d4a778813e1727cb61c10c7721da906317916c19fece8afee46a38/deeporigin-4.3.0.tar.gz to build tracker '/tmp/pip-build-tracker-hy6q1b6z' 2025-12-07T00:45:27,696 Created temporary directory: /tmp/pip-build-env-99dbe0nz 2025-12-07T00:45:27,701 Installing build dependencies: started 2025-12-07T00:45:27,702 Running command pip subprocess to install build dependencies 2025-12-07T00:45:28,908 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2025-12-07T00:45:29,574 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2025-12-07T00:45:29,600 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-12-07T00:45:31,358 Collecting setuptools>=40.9.0 2025-12-07T00:45:31,555 Using cached https://www.piwheels.org/simple/setuptools/setuptools-80.9.0-py3-none-any.whl (1.2 MB) 2025-12-07T00:45:34,506 Installing collected packages: setuptools 2025-12-07T00:45:38,239 Successfully installed setuptools-80.9.0 2025-12-07T00:45:38,506 Installing build dependencies: finished with status 'done' 2025-12-07T00:45:38,513 Getting requirements to build wheel: started 2025-12-07T00:45:38,515 Running command Getting requirements to build wheel 2025-12-07T00:45:39,093 /tmp/pip-build-env-99dbe0nz/overlay/local/lib/python3.11/dist-packages/setuptools/config/pyprojecttoml.py:72: _ExperimentalConfiguration: `[tool.distutils]` in `pyproject.toml` is still *experimental* and likely to change in future releases. 2025-12-07T00:45:39,093 config = read_configuration(filepath, True, ignore_option_errors, dist) 2025-12-07T00:45:39,231 running egg_info 2025-12-07T00:45:39,237 writing deeporigin.egg-info/PKG-INFO 2025-12-07T00:45:39,250 writing dependency_links to deeporigin.egg-info/dependency_links.txt 2025-12-07T00:45:39,258 writing requirements to deeporigin.egg-info/requires.txt 2025-12-07T00:45:39,259 writing top-level names to deeporigin.egg-info/top_level.txt 2025-12-07T00:45:39,298 reading manifest file 'deeporigin.egg-info/SOURCES.txt' 2025-12-07T00:45:39,304 reading manifest template 'MANIFEST.in' 2025-12-07T00:45:39,305 warning: no files found matching 'src/config/default.yml' 2025-12-07T00:45:39,306 warning: no files found matching 'src/js/*.js' 2025-12-07T00:45:39,309 warning: no files found matching 'src/files/file_service/gen_file_openapi.yaml' 2025-12-07T00:45:39,310 adding license file 'LICENSE.txt' 2025-12-07T00:45:39,316 writing manifest file 'deeporigin.egg-info/SOURCES.txt' 2025-12-07T00:45:39,414 Getting requirements to build wheel: finished with status 'done' 2025-12-07T00:45:39,417 Created temporary directory: /tmp/pip-modern-metadata-3c07ir72 2025-12-07T00:45:39,420 Preparing metadata (pyproject.toml): started 2025-12-07T00:45:39,421 Running command Preparing metadata (pyproject.toml) 2025-12-07T00:45:39,959 /tmp/pip-build-env-99dbe0nz/overlay/local/lib/python3.11/dist-packages/setuptools/config/pyprojecttoml.py:72: _ExperimentalConfiguration: `[tool.distutils]` in `pyproject.toml` is still *experimental* and likely to change in future releases. 2025-12-07T00:45:39,960 config = read_configuration(filepath, True, ignore_option_errors, dist) 2025-12-07T00:45:40,089 running dist_info 2025-12-07T00:45:40,102 creating /tmp/pip-modern-metadata-3c07ir72/deeporigin.egg-info 2025-12-07T00:45:40,103 writing /tmp/pip-modern-metadata-3c07ir72/deeporigin.egg-info/PKG-INFO 2025-12-07T00:45:40,117 writing dependency_links to /tmp/pip-modern-metadata-3c07ir72/deeporigin.egg-info/dependency_links.txt 2025-12-07T00:45:40,124 writing requirements to /tmp/pip-modern-metadata-3c07ir72/deeporigin.egg-info/requires.txt 2025-12-07T00:45:40,125 writing top-level names to /tmp/pip-modern-metadata-3c07ir72/deeporigin.egg-info/top_level.txt 2025-12-07T00:45:40,127 writing manifest file '/tmp/pip-modern-metadata-3c07ir72/deeporigin.egg-info/SOURCES.txt' 2025-12-07T00:45:40,158 reading manifest file '/tmp/pip-modern-metadata-3c07ir72/deeporigin.egg-info/SOURCES.txt' 2025-12-07T00:45:40,161 reading manifest template 'MANIFEST.in' 2025-12-07T00:45:40,162 warning: no files found matching 'src/config/default.yml' 2025-12-07T00:45:40,162 warning: no files found matching 'src/js/*.js' 2025-12-07T00:45:40,165 warning: no files found matching 'src/files/file_service/gen_file_openapi.yaml' 2025-12-07T00:45:40,166 adding license file 'LICENSE.txt' 2025-12-07T00:45:40,171 writing manifest file '/tmp/pip-modern-metadata-3c07ir72/deeporigin.egg-info/SOURCES.txt' 2025-12-07T00:45:40,172 creating '/tmp/pip-modern-metadata-3c07ir72/deeporigin-4.3.0.dist-info' 2025-12-07T00:45:40,178 /tmp/pip-build-env-99dbe0nz/overlay/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:135: SetuptoolsDeprecationWarning: bdist_wheel.universal is deprecated 2025-12-07T00:45:40,179 !! 2025-12-07T00:45:40,180 ******************************************************************************** 2025-12-07T00:45:40,180 With Python 2.7 end-of-life, support for building universal wheels 2025-12-07T00:45:40,181 (i.e., wheels that support both Python 2 and Python 3) 2025-12-07T00:45:40,182 is being obviated. 2025-12-07T00:45:40,182 Please discontinue using this option, or if you still need it, 2025-12-07T00:45:40,182 file an issue with pypa/setuptools describing your use case. 2025-12-07T00:45:40,183 This deprecation is overdue, please update your project and remove deprecated 2025-12-07T00:45:40,184 calls to avoid build errors in the future. 2025-12-07T00:45:40,184 ******************************************************************************** 2025-12-07T00:45:40,185 !! 2025-12-07T00:45:40,186 self.finalize_options() 2025-12-07T00:45:40,300 Preparing metadata (pyproject.toml): finished with status 'done' 2025-12-07T00:45:40,304 Source in /tmp/pip-wheel-mfjkb5lr/deeporigin_627cf90def8543acb556c1fb449fbc26 has version 4.3.0, which satisfies requirement deeporigin==4.3.0 from https://files.pythonhosted.org/packages/f2/e2/92e891d4a778813e1727cb61c10c7721da906317916c19fece8afee46a38/deeporigin-4.3.0.tar.gz 2025-12-07T00:45:40,305 Removed deeporigin==4.3.0 from https://files.pythonhosted.org/packages/f2/e2/92e891d4a778813e1727cb61c10c7721da906317916c19fece8afee46a38/deeporigin-4.3.0.tar.gz from build tracker '/tmp/pip-build-tracker-hy6q1b6z' 2025-12-07T00:45:40,312 Created temporary directory: /tmp/pip-unpack-yd7lfyyy 2025-12-07T00:45:40,313 Building wheels for collected packages: deeporigin 2025-12-07T00:45:40,317 Created temporary directory: /tmp/pip-wheel-y0l5cgij 2025-12-07T00:45:40,318 Destination directory: /tmp/pip-wheel-y0l5cgij 2025-12-07T00:45:40,320 Building wheel for deeporigin (pyproject.toml): started 2025-12-07T00:45:40,321 Running command Building wheel for deeporigin (pyproject.toml) 2025-12-07T00:45:40,875 /tmp/pip-build-env-99dbe0nz/overlay/local/lib/python3.11/dist-packages/setuptools/config/pyprojecttoml.py:72: _ExperimentalConfiguration: `[tool.distutils]` in `pyproject.toml` is still *experimental* and likely to change in future releases. 2025-12-07T00:45:40,875 config = read_configuration(filepath, True, ignore_option_errors, dist) 2025-12-07T00:45:40,990 running bdist_wheel 2025-12-07T00:45:41,002 /tmp/pip-build-env-99dbe0nz/overlay/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:135: SetuptoolsDeprecationWarning: bdist_wheel.universal is deprecated 2025-12-07T00:45:41,003 !! 2025-12-07T00:45:41,004 ******************************************************************************** 2025-12-07T00:45:41,005 With Python 2.7 end-of-life, support for building universal wheels 2025-12-07T00:45:41,005 (i.e., wheels that support both Python 2 and Python 3) 2025-12-07T00:45:41,006 is being obviated. 2025-12-07T00:45:41,006 Please discontinue using this option, or if you still need it, 2025-12-07T00:45:41,007 file an issue with pypa/setuptools describing your use case. 2025-12-07T00:45:41,008 This deprecation is overdue, please update your project and remove deprecated 2025-12-07T00:45:41,009 calls to avoid build errors in the future. 2025-12-07T00:45:41,009 ******************************************************************************** 2025-12-07T00:45:41,010 !! 2025-12-07T00:45:41,011 self.finalize_options() 2025-12-07T00:45:41,015 running build 2025-12-07T00:45:41,015 running build_py 2025-12-07T00:45:41,022 creating build/lib/deeporigin 2025-12-07T00:45:41,025 copying src/config.py -> build/lib/deeporigin 2025-12-07T00:45:41,027 copying src/__init__.py -> build/lib/deeporigin 2025-12-07T00:45:41,029 copying src/exceptions.py -> build/lib/deeporigin 2025-12-07T00:45:41,032 copying src/auth.py -> build/lib/deeporigin 2025-12-07T00:45:41,035 copying src/plots.py -> build/lib/deeporigin 2025-12-07T00:45:41,038 creating build/lib/deeporigin/utils 2025-12-07T00:45:41,039 copying src/utils/notebook.py -> build/lib/deeporigin/utils 2025-12-07T00:45:41,042 copying src/utils/network.py -> build/lib/deeporigin/utils 2025-12-07T00:45:41,044 copying src/utils/__init__.py -> build/lib/deeporigin/utils 2025-12-07T00:45:41,045 copying src/utils/core.py -> build/lib/deeporigin/utils 2025-12-07T00:45:41,048 copying src/utils/constants.py -> build/lib/deeporigin/utils 2025-12-07T00:45:41,051 creating build/lib/deeporigin/functions 2025-12-07T00:45:41,052 copying src/functions/docking.py -> build/lib/deeporigin/functions 2025-12-07T00:45:41,054 copying src/functions/loop_modelling.py -> build/lib/deeporigin/functions 2025-12-07T00:45:41,057 copying src/functions/pocket_finder.py -> build/lib/deeporigin/functions 2025-12-07T00:45:41,059 copying src/functions/molprops.py -> build/lib/deeporigin/functions 2025-12-07T00:45:41,061 copying src/functions/protonation.py -> build/lib/deeporigin/functions 2025-12-07T00:45:41,063 copying src/functions/sysprep.py -> build/lib/deeporigin/functions 2025-12-07T00:45:41,065 copying src/functions/rbfe_tools.py -> build/lib/deeporigin/functions 2025-12-07T00:45:41,067 copying src/functions/parallel.py -> build/lib/deeporigin/functions 2025-12-07T00:45:41,070 creating build/lib/deeporigin/platform 2025-12-07T00:45:41,072 copying src/platform/organizations.py -> build/lib/deeporigin/platform 2025-12-07T00:45:41,074 copying src/platform/functions.py -> build/lib/deeporigin/platform 2025-12-07T00:45:41,076 copying src/platform/job_viz_functions.py -> build/lib/deeporigin/platform 2025-12-07T00:45:41,078 copying src/platform/executions.py -> build/lib/deeporigin/platform 2025-12-07T00:45:41,080 copying src/platform/__init__.py -> build/lib/deeporigin/platform 2025-12-07T00:45:41,082 copying src/platform/tools.py -> build/lib/deeporigin/platform 2025-12-07T00:45:41,084 copying src/platform/constants.py -> build/lib/deeporigin/platform 2025-12-07T00:45:41,086 copying src/platform/client.py -> build/lib/deeporigin/platform 2025-12-07T00:45:41,089 copying src/platform/job.py -> build/lib/deeporigin/platform 2025-12-07T00:45:41,093 copying src/platform/files.py -> build/lib/deeporigin/platform 2025-12-07T00:45:41,096 copying src/platform/clusters.py -> build/lib/deeporigin/platform 2025-12-07T00:45:41,098 creating build/lib/deeporigin/drug_discovery 2025-12-07T00:45:41,099 copying src/drug_discovery/docking.py -> build/lib/deeporigin/drug_discovery 2025-12-07T00:45:41,102 copying src/drug_discovery/rbfe.py -> build/lib/deeporigin/drug_discovery 2025-12-07T00:45:41,105 copying src/drug_discovery/workflow_step.py -> build/lib/deeporigin/drug_discovery 2025-12-07T00:45:41,107 copying src/drug_discovery/chemistry.py -> build/lib/deeporigin/drug_discovery 2025-12-07T00:45:41,109 copying src/drug_discovery/abfe.py -> build/lib/deeporigin/drug_discovery 2025-12-07T00:45:41,112 copying src/drug_discovery/__init__.py -> build/lib/deeporigin/drug_discovery 2025-12-07T00:45:41,114 copying src/drug_discovery/constants.py -> build/lib/deeporigin/drug_discovery 2025-12-07T00:45:41,116 copying src/drug_discovery/align.py -> build/lib/deeporigin/drug_discovery 2025-12-07T00:45:41,118 copying src/drug_discovery/complex.py -> build/lib/deeporigin/drug_discovery 2025-12-07T00:45:41,121 copying src/drug_discovery/utils.py -> build/lib/deeporigin/drug_discovery 2025-12-07T00:45:41,124 creating build/lib/deeporigin/drug_discovery/utilities 2025-12-07T00:45:41,125 copying src/drug_discovery/utilities/visualize.py -> build/lib/deeporigin/drug_discovery/utilities 2025-12-07T00:45:41,127 copying src/drug_discovery/utilities/__init__.py -> build/lib/deeporigin/drug_discovery/utilities 2025-12-07T00:45:41,129 copying src/drug_discovery/utilities/utils.py -> build/lib/deeporigin/drug_discovery/utilities 2025-12-07T00:45:41,132 creating build/lib/deeporigin/drug_discovery/structures 2025-12-07T00:45:41,133 copying src/drug_discovery/structures/pocket.py -> build/lib/deeporigin/drug_discovery/structures 2025-12-07T00:45:41,136 copying src/drug_discovery/structures/protein.py -> build/lib/deeporigin/drug_discovery/structures 2025-12-07T00:45:41,139 copying src/drug_discovery/structures/__init__.py -> build/lib/deeporigin/drug_discovery/structures 2025-12-07T00:45:41,142 copying src/drug_discovery/structures/ligand.py -> build/lib/deeporigin/drug_discovery/structures 2025-12-07T00:45:41,146 copying src/drug_discovery/structures/entity.py -> build/lib/deeporigin/drug_discovery/structures 2025-12-07T00:45:41,149 creating build/lib/deeporigin/drug_discovery/external_tools 2025-12-07T00:45:41,150 copying src/drug_discovery/external_tools/utils.py -> build/lib/deeporigin/drug_discovery/external_tools 2025-12-07T00:45:41,154 running egg_info 2025-12-07T00:45:41,166 writing deeporigin.egg-info/PKG-INFO 2025-12-07T00:45:41,179 writing dependency_links to deeporigin.egg-info/dependency_links.txt 2025-12-07T00:45:41,185 writing requirements to deeporigin.egg-info/requires.txt 2025-12-07T00:45:41,186 writing top-level names to deeporigin.egg-info/top_level.txt 2025-12-07T00:45:41,209 reading manifest file 'deeporigin.egg-info/SOURCES.txt' 2025-12-07T00:45:41,215 reading manifest template 'MANIFEST.in' 2025-12-07T00:45:41,216 warning: no files found matching 'src/config/default.yml' 2025-12-07T00:45:41,217 warning: no files found matching 'src/js/*.js' 2025-12-07T00:45:41,220 warning: no files found matching 'src/files/file_service/gen_file_openapi.yaml' 2025-12-07T00:45:41,221 adding license file 'LICENSE.txt' 2025-12-07T00:45:41,226 writing manifest file 'deeporigin.egg-info/SOURCES.txt' 2025-12-07T00:45:41,237 copying src/VERSION -> build/lib/deeporigin 2025-12-07T00:45:41,239 creating build/lib/deeporigin/templates 2025-12-07T00:45:41,240 copying src/templates/job.html -> build/lib/deeporigin/templates 2025-12-07T00:45:41,243 copying src/templates/job_jupyter.html -> build/lib/deeporigin/templates 2025-12-07T00:45:41,245 creating build/lib/deeporigin/json 2025-12-07T00:45:41,246 copying src/json/abfe_end_to_end.json -> build/lib/deeporigin/json 2025-12-07T00:45:41,249 copying src/json/rbfe_end_to_end.json -> build/lib/deeporigin/json 2025-12-07T00:45:41,251 creating build/lib/deeporigin/drug_discovery/external_tools/assets 2025-12-07T00:45:41,252 copying src/drug_discovery/external_tools/assets/molecule_smiles.gql -> build/lib/deeporigin/drug_discovery/external_tools/assets 2025-12-07T00:45:41,255 copying src/drug_discovery/external_tools/assets/protein_base_info.gql -> build/lib/deeporigin/drug_discovery/external_tools/assets 2025-12-07T00:45:41,257 copying src/drug_discovery/external_tools/assets/protein_info.gql -> build/lib/deeporigin/drug_discovery/external_tools/assets 2025-12-07T00:45:41,259 creating build/lib/deeporigin/data/brd 2025-12-07T00:45:41,261 copying src/data/brd/brd-2.sdf -> build/lib/deeporigin/data/brd 2025-12-07T00:45:41,263 copying src/data/brd/brd-3.sdf -> build/lib/deeporigin/data/brd 2025-12-07T00:45:41,265 copying src/data/brd/brd-4.sdf -> build/lib/deeporigin/data/brd 2025-12-07T00:45:41,268 copying src/data/brd/brd-5.sdf -> build/lib/deeporigin/data/brd 2025-12-07T00:45:41,270 copying src/data/brd/brd-6.sdf -> build/lib/deeporigin/data/brd 2025-12-07T00:45:41,272 copying src/data/brd/brd-7.sdf -> build/lib/deeporigin/data/brd 2025-12-07T00:45:41,275 copying src/data/brd/brd-8.sdf -> build/lib/deeporigin/data/brd 2025-12-07T00:45:41,277 copying src/data/brd/brd-9.sdf -> build/lib/deeporigin/data/brd 2025-12-07T00:45:41,280 copying src/data/brd/brd.pdb -> build/lib/deeporigin/data/brd 2025-12-07T00:45:41,286 creating build/lib/deeporigin/data/ligands 2025-12-07T00:45:41,287 copying src/data/ligands/42-ligands.sdf -> build/lib/deeporigin/data/ligands 2025-12-07T00:45:41,293 copying src/data/ligands/ligands-brd-all.sdf -> build/lib/deeporigin/data/ligands 2025-12-07T00:45:41,296 copying src/data/ligands/ligands.csv -> build/lib/deeporigin/data/ligands 2025-12-07T00:45:41,299 copying src/data/ligands/smiles_to_dock.csv -> build/lib/deeporigin/data/ligands 2025-12-07T00:45:41,317 installing to build/bdist.linux-armv7l/wheel 2025-12-07T00:45:41,317 running install 2025-12-07T00:45:41,341 running install_lib 2025-12-07T00:45:41,348 creating build/bdist.linux-armv7l/wheel 2025-12-07T00:45:41,351 creating build/bdist.linux-armv7l/wheel/deeporigin 2025-12-07T00:45:41,353 creating build/bdist.linux-armv7l/wheel/deeporigin/utils 2025-12-07T00:45:41,354 copying build/lib/deeporigin/utils/notebook.py -> build/bdist.linux-armv7l/wheel/./deeporigin/utils 2025-12-07T00:45:41,357 copying build/lib/deeporigin/utils/network.py -> build/bdist.linux-armv7l/wheel/./deeporigin/utils 2025-12-07T00:45:41,359 copying build/lib/deeporigin/utils/__init__.py -> build/bdist.linux-armv7l/wheel/./deeporigin/utils 2025-12-07T00:45:41,361 copying build/lib/deeporigin/utils/core.py -> build/bdist.linux-armv7l/wheel/./deeporigin/utils 2025-12-07T00:45:41,365 copying build/lib/deeporigin/utils/constants.py -> build/bdist.linux-armv7l/wheel/./deeporigin/utils 2025-12-07T00:45:41,367 copying build/lib/deeporigin/VERSION -> build/bdist.linux-armv7l/wheel/./deeporigin 2025-12-07T00:45:41,369 copying build/lib/deeporigin/config.py -> build/bdist.linux-armv7l/wheel/./deeporigin 2025-12-07T00:45:41,371 copying build/lib/deeporigin/__init__.py -> build/bdist.linux-armv7l/wheel/./deeporigin 2025-12-07T00:45:41,373 copying build/lib/deeporigin/exceptions.py -> build/bdist.linux-armv7l/wheel/./deeporigin 2025-12-07T00:45:41,376 copying build/lib/deeporigin/auth.py -> build/bdist.linux-armv7l/wheel/./deeporigin 2025-12-07T00:45:41,379 creating build/bdist.linux-armv7l/wheel/deeporigin/templates 2025-12-07T00:45:41,381 copying build/lib/deeporigin/templates/job.html -> build/bdist.linux-armv7l/wheel/./deeporigin/templates 2025-12-07T00:45:41,383 copying build/lib/deeporigin/templates/job_jupyter.html -> build/bdist.linux-armv7l/wheel/./deeporigin/templates 2025-12-07T00:45:41,387 creating build/bdist.linux-armv7l/wheel/deeporigin/functions 2025-12-07T00:45:41,388 copying build/lib/deeporigin/functions/docking.py -> build/bdist.linux-armv7l/wheel/./deeporigin/functions 2025-12-07T00:45:41,391 copying build/lib/deeporigin/functions/loop_modelling.py -> build/bdist.linux-armv7l/wheel/./deeporigin/functions 2025-12-07T00:45:41,393 copying build/lib/deeporigin/functions/pocket_finder.py -> build/bdist.linux-armv7l/wheel/./deeporigin/functions 2025-12-07T00:45:41,395 copying build/lib/deeporigin/functions/molprops.py -> build/bdist.linux-armv7l/wheel/./deeporigin/functions 2025-12-07T00:45:41,397 copying build/lib/deeporigin/functions/protonation.py -> build/bdist.linux-armv7l/wheel/./deeporigin/functions 2025-12-07T00:45:41,400 copying build/lib/deeporigin/functions/sysprep.py -> build/bdist.linux-armv7l/wheel/./deeporigin/functions 2025-12-07T00:45:41,402 copying build/lib/deeporigin/functions/rbfe_tools.py -> build/bdist.linux-armv7l/wheel/./deeporigin/functions 2025-12-07T00:45:41,405 copying build/lib/deeporigin/functions/parallel.py -> build/bdist.linux-armv7l/wheel/./deeporigin/functions 2025-12-07T00:45:41,407 copying build/lib/deeporigin/plots.py -> build/bdist.linux-armv7l/wheel/./deeporigin 2025-12-07T00:45:41,411 creating build/bdist.linux-armv7l/wheel/deeporigin/platform 2025-12-07T00:45:41,412 copying build/lib/deeporigin/platform/organizations.py -> build/bdist.linux-armv7l/wheel/./deeporigin/platform 2025-12-07T00:45:41,415 copying build/lib/deeporigin/platform/functions.py -> build/bdist.linux-armv7l/wheel/./deeporigin/platform 2025-12-07T00:45:41,417 copying build/lib/deeporigin/platform/job_viz_functions.py -> build/bdist.linux-armv7l/wheel/./deeporigin/platform 2025-12-07T00:45:41,420 copying build/lib/deeporigin/platform/executions.py -> build/bdist.linux-armv7l/wheel/./deeporigin/platform 2025-12-07T00:45:41,422 copying build/lib/deeporigin/platform/__init__.py -> build/bdist.linux-armv7l/wheel/./deeporigin/platform 2025-12-07T00:45:41,425 copying build/lib/deeporigin/platform/tools.py -> build/bdist.linux-armv7l/wheel/./deeporigin/platform 2025-12-07T00:45:41,427 copying build/lib/deeporigin/platform/constants.py -> build/bdist.linux-armv7l/wheel/./deeporigin/platform 2025-12-07T00:45:41,429 copying build/lib/deeporigin/platform/client.py -> build/bdist.linux-armv7l/wheel/./deeporigin/platform 2025-12-07T00:45:41,432 copying build/lib/deeporigin/platform/job.py -> build/bdist.linux-armv7l/wheel/./deeporigin/platform 2025-12-07T00:45:41,436 copying build/lib/deeporigin/platform/files.py -> build/bdist.linux-armv7l/wheel/./deeporigin/platform 2025-12-07T00:45:41,439 copying build/lib/deeporigin/platform/clusters.py -> build/bdist.linux-armv7l/wheel/./deeporigin/platform 2025-12-07T00:45:41,442 creating build/bdist.linux-armv7l/wheel/deeporigin/drug_discovery 2025-12-07T00:45:41,444 copying build/lib/deeporigin/drug_discovery/docking.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery 2025-12-07T00:45:41,448 copying build/lib/deeporigin/drug_discovery/rbfe.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery 2025-12-07T00:45:41,450 copying build/lib/deeporigin/drug_discovery/workflow_step.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery 2025-12-07T00:45:41,453 copying build/lib/deeporigin/drug_discovery/chemistry.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery 2025-12-07T00:45:41,456 copying build/lib/deeporigin/drug_discovery/abfe.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery 2025-12-07T00:45:41,459 copying build/lib/deeporigin/drug_discovery/__init__.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery 2025-12-07T00:45:41,461 creating build/bdist.linux-armv7l/wheel/deeporigin/drug_discovery/utilities 2025-12-07T00:45:41,463 copying build/lib/deeporigin/drug_discovery/utilities/visualize.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery/utilities 2025-12-07T00:45:41,465 copying build/lib/deeporigin/drug_discovery/utilities/__init__.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery/utilities 2025-12-07T00:45:41,467 copying build/lib/deeporigin/drug_discovery/utilities/utils.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery/utilities 2025-12-07T00:45:41,469 copying build/lib/deeporigin/drug_discovery/constants.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery 2025-12-07T00:45:41,472 creating build/bdist.linux-armv7l/wheel/deeporigin/drug_discovery/structures 2025-12-07T00:45:41,473 copying build/lib/deeporigin/drug_discovery/structures/pocket.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery/structures 2025-12-07T00:45:41,476 copying build/lib/deeporigin/drug_discovery/structures/protein.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery/structures 2025-12-07T00:45:41,480 copying build/lib/deeporigin/drug_discovery/structures/__init__.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery/structures 2025-12-07T00:45:41,483 copying build/lib/deeporigin/drug_discovery/structures/ligand.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery/structures 2025-12-07T00:45:41,486 copying build/lib/deeporigin/drug_discovery/structures/entity.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery/structures 2025-12-07T00:45:41,489 creating build/bdist.linux-armv7l/wheel/deeporigin/drug_discovery/external_tools 2025-12-07T00:45:41,491 creating build/bdist.linux-armv7l/wheel/deeporigin/drug_discovery/external_tools/assets 2025-12-07T00:45:41,493 copying build/lib/deeporigin/drug_discovery/external_tools/assets/protein_base_info.gql -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery/external_tools/assets 2025-12-07T00:45:41,495 copying build/lib/deeporigin/drug_discovery/external_tools/assets/molecule_smiles.gql -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery/external_tools/assets 2025-12-07T00:45:41,497 copying build/lib/deeporigin/drug_discovery/external_tools/assets/protein_info.gql -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery/external_tools/assets 2025-12-07T00:45:41,500 copying build/lib/deeporigin/drug_discovery/external_tools/utils.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery/external_tools 2025-12-07T00:45:41,503 copying build/lib/deeporigin/drug_discovery/align.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery 2025-12-07T00:45:41,506 copying build/lib/deeporigin/drug_discovery/complex.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery 2025-12-07T00:45:41,509 copying build/lib/deeporigin/drug_discovery/utils.py -> build/bdist.linux-armv7l/wheel/./deeporigin/drug_discovery 2025-12-07T00:45:41,513 creating build/bdist.linux-armv7l/wheel/deeporigin/data 2025-12-07T00:45:41,515 creating build/bdist.linux-armv7l/wheel/deeporigin/data/brd 2025-12-07T00:45:41,517 copying build/lib/deeporigin/data/brd/brd-7.sdf -> build/bdist.linux-armv7l/wheel/./deeporigin/data/brd 2025-12-07T00:45:41,519 copying build/lib/deeporigin/data/brd/brd-5.sdf -> build/bdist.linux-armv7l/wheel/./deeporigin/data/brd 2025-12-07T00:45:41,522 copying build/lib/deeporigin/data/brd/brd-4.sdf -> build/bdist.linux-armv7l/wheel/./deeporigin/data/brd 2025-12-07T00:45:41,524 copying build/lib/deeporigin/data/brd/brd-3.sdf -> build/bdist.linux-armv7l/wheel/./deeporigin/data/brd 2025-12-07T00:45:41,526 copying build/lib/deeporigin/data/brd/brd-8.sdf -> build/bdist.linux-armv7l/wheel/./deeporigin/data/brd 2025-12-07T00:45:41,529 copying build/lib/deeporigin/data/brd/brd-9.sdf -> build/bdist.linux-armv7l/wheel/./deeporigin/data/brd 2025-12-07T00:45:41,531 copying build/lib/deeporigin/data/brd/brd-6.sdf -> build/bdist.linux-armv7l/wheel/./deeporigin/data/brd 2025-12-07T00:45:41,533 copying build/lib/deeporigin/data/brd/brd.pdb -> build/bdist.linux-armv7l/wheel/./deeporigin/data/brd 2025-12-07T00:45:41,539 copying build/lib/deeporigin/data/brd/brd-2.sdf -> build/bdist.linux-armv7l/wheel/./deeporigin/data/brd 2025-12-07T00:45:41,541 creating build/bdist.linux-armv7l/wheel/deeporigin/data/ligands 2025-12-07T00:45:41,543 copying build/lib/deeporigin/data/ligands/42-ligands.sdf -> build/bdist.linux-armv7l/wheel/./deeporigin/data/ligands 2025-12-07T00:45:41,548 copying build/lib/deeporigin/data/ligands/ligands.csv -> build/bdist.linux-armv7l/wheel/./deeporigin/data/ligands 2025-12-07T00:45:41,551 copying build/lib/deeporigin/data/ligands/smiles_to_dock.csv -> build/bdist.linux-armv7l/wheel/./deeporigin/data/ligands 2025-12-07T00:45:41,552 copying build/lib/deeporigin/data/ligands/ligands-brd-all.sdf -> build/bdist.linux-armv7l/wheel/./deeporigin/data/ligands 2025-12-07T00:45:41,556 creating build/bdist.linux-armv7l/wheel/deeporigin/json 2025-12-07T00:45:41,557 copying build/lib/deeporigin/json/rbfe_end_to_end.json -> build/bdist.linux-armv7l/wheel/./deeporigin/json 2025-12-07T00:45:41,560 copying build/lib/deeporigin/json/abfe_end_to_end.json -> build/bdist.linux-armv7l/wheel/./deeporigin/json 2025-12-07T00:45:41,562 running install_egg_info 2025-12-07T00:45:41,568 Copying deeporigin.egg-info to build/bdist.linux-armv7l/wheel/./deeporigin-4.3.0-py3.11.egg-info 2025-12-07T00:45:41,579 running install_scripts 2025-12-07T00:45:41,589 creating build/bdist.linux-armv7l/wheel/deeporigin-4.3.0.dist-info/WHEEL 2025-12-07T00:45:41,592 creating '/tmp/pip-wheel-y0l5cgij/.tmp-s0g14jvk/deeporigin-4.3.0-py2.py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-12-07T00:45:41,595 adding 'deeporigin/VERSION' 2025-12-07T00:45:41,596 adding 'deeporigin/__init__.py' 2025-12-07T00:45:41,598 adding 'deeporigin/auth.py' 2025-12-07T00:45:41,600 adding 'deeporigin/config.py' 2025-12-07T00:45:41,602 adding 'deeporigin/exceptions.py' 2025-12-07T00:45:41,604 adding 'deeporigin/plots.py' 2025-12-07T00:45:41,607 adding 'deeporigin/data/brd/brd-2.sdf' 2025-12-07T00:45:41,608 adding 'deeporigin/data/brd/brd-3.sdf' 2025-12-07T00:45:41,609 adding 'deeporigin/data/brd/brd-4.sdf' 2025-12-07T00:45:41,611 adding 'deeporigin/data/brd/brd-5.sdf' 2025-12-07T00:45:41,613 adding 'deeporigin/data/brd/brd-6.sdf' 2025-12-07T00:45:41,614 adding 'deeporigin/data/brd/brd-7.sdf' 2025-12-07T00:45:41,615 adding 'deeporigin/data/brd/brd-8.sdf' 2025-12-07T00:45:41,617 adding 'deeporigin/data/brd/brd-9.sdf' 2025-12-07T00:45:41,651 adding 'deeporigin/data/brd/brd.pdb' 2025-12-07T00:45:41,667 adding 'deeporigin/data/ligands/42-ligands.sdf' 2025-12-07T00:45:41,671 adding 'deeporigin/data/ligands/ligands-brd-all.sdf' 2025-12-07T00:45:41,672 adding 'deeporigin/data/ligands/ligands.csv' 2025-12-07T00:45:41,674 adding 'deeporigin/data/ligands/smiles_to_dock.csv' 2025-12-07T00:45:41,676 adding 'deeporigin/drug_discovery/__init__.py' 2025-12-07T00:45:41,678 adding 'deeporigin/drug_discovery/abfe.py' 2025-12-07T00:45:41,680 adding 'deeporigin/drug_discovery/align.py' 2025-12-07T00:45:41,682 adding 'deeporigin/drug_discovery/chemistry.py' 2025-12-07T00:45:41,684 adding 'deeporigin/drug_discovery/complex.py' 2025-12-07T00:45:41,686 adding 'deeporigin/drug_discovery/constants.py' 2025-12-07T00:45:41,689 adding 'deeporigin/drug_discovery/docking.py' 2025-12-07T00:45:41,691 adding 'deeporigin/drug_discovery/rbfe.py' 2025-12-07T00:45:41,692 adding 'deeporigin/drug_discovery/utils.py' 2025-12-07T00:45:41,693 adding 'deeporigin/drug_discovery/workflow_step.py' 2025-12-07T00:45:41,697 adding 'deeporigin/drug_discovery/external_tools/utils.py' 2025-12-07T00:45:41,699 adding 'deeporigin/drug_discovery/external_tools/assets/molecule_smiles.gql' 2025-12-07T00:45:41,700 adding 'deeporigin/drug_discovery/external_tools/assets/protein_base_info.gql' 2025-12-07T00:45:41,701 adding 'deeporigin/drug_discovery/external_tools/assets/protein_info.gql' 2025-12-07T00:45:41,704 adding 'deeporigin/drug_discovery/structures/__init__.py' 2025-12-07T00:45:41,705 adding 'deeporigin/drug_discovery/structures/entity.py' 2025-12-07T00:45:41,712 adding 'deeporigin/drug_discovery/structures/ligand.py' 2025-12-07T00:45:41,714 adding 'deeporigin/drug_discovery/structures/pocket.py' 2025-12-07T00:45:41,719 adding 'deeporigin/drug_discovery/structures/protein.py' 2025-12-07T00:45:41,721 adding 'deeporigin/drug_discovery/utilities/__init__.py' 2025-12-07T00:45:41,723 adding 'deeporigin/drug_discovery/utilities/utils.py' 2025-12-07T00:45:41,724 adding 'deeporigin/drug_discovery/utilities/visualize.py' 2025-12-07T00:45:41,726 adding 'deeporigin/functions/docking.py' 2025-12-07T00:45:41,727 adding 'deeporigin/functions/loop_modelling.py' 2025-12-07T00:45:41,729 adding 'deeporigin/functions/molprops.py' 2025-12-07T00:45:41,730 adding 'deeporigin/functions/parallel.py' 2025-12-07T00:45:41,732 adding 'deeporigin/functions/pocket_finder.py' 2025-12-07T00:45:41,733 adding 'deeporigin/functions/protonation.py' 2025-12-07T00:45:41,734 adding 'deeporigin/functions/rbfe_tools.py' 2025-12-07T00:45:41,736 adding 'deeporigin/functions/sysprep.py' 2025-12-07T00:45:41,738 adding 'deeporigin/json/abfe_end_to_end.json' 2025-12-07T00:45:41,739 adding 'deeporigin/json/rbfe_end_to_end.json' 2025-12-07T00:45:41,741 adding 'deeporigin/platform/__init__.py' 2025-12-07T00:45:41,744 adding 'deeporigin/platform/client.py' 2025-12-07T00:45:41,745 adding 'deeporigin/platform/clusters.py' 2025-12-07T00:45:41,746 adding 'deeporigin/platform/constants.py' 2025-12-07T00:45:41,747 adding 'deeporigin/platform/executions.py' 2025-12-07T00:45:41,749 adding 'deeporigin/platform/files.py' 2025-12-07T00:45:41,752 adding 'deeporigin/platform/functions.py' 2025-12-07T00:45:41,758 adding 'deeporigin/platform/job.py' 2025-12-07T00:45:41,761 adding 'deeporigin/platform/job_viz_functions.py' 2025-12-07T00:45:41,762 adding 'deeporigin/platform/organizations.py' 2025-12-07T00:45:41,764 adding 'deeporigin/platform/tools.py' 2025-12-07T00:45:41,766 adding 'deeporigin/templates/job.html' 2025-12-07T00:45:41,768 adding 'deeporigin/templates/job_jupyter.html' 2025-12-07T00:45:41,770 adding 'deeporigin/utils/__init__.py' 2025-12-07T00:45:41,771 adding 'deeporigin/utils/constants.py' 2025-12-07T00:45:41,773 adding 'deeporigin/utils/core.py' 2025-12-07T00:45:41,774 adding 'deeporigin/utils/network.py' 2025-12-07T00:45:41,776 adding 'deeporigin/utils/notebook.py' 2025-12-07T00:45:41,779 adding 'deeporigin-4.3.0.dist-info/licenses/LICENSE.txt' 2025-12-07T00:45:41,780 adding 'deeporigin-4.3.0.dist-info/METADATA' 2025-12-07T00:45:41,781 adding 'deeporigin-4.3.0.dist-info/WHEEL' 2025-12-07T00:45:41,782 adding 'deeporigin-4.3.0.dist-info/top_level.txt' 2025-12-07T00:45:41,783 adding 'deeporigin-4.3.0.dist-info/RECORD' 2025-12-07T00:45:41,788 removing build/bdist.linux-armv7l/wheel 2025-12-07T00:45:41,909 Building wheel for deeporigin (pyproject.toml): finished with status 'done' 2025-12-07T00:45:41,919 Created wheel for deeporigin: filename=deeporigin-4.3.0-py2.py3-none-any.whl size=228720 sha256=b4966b6c9b36f69e8643be6d9b579159a1c14afb14c8cbbc115debcdc90fb346 2025-12-07T00:45:41,920 Stored in directory: /tmp/pip-ephem-wheel-cache-2c36z70l/wheels/fd/17/5e/e6e9d5c86ae49af625de3aed22479b706968b2d6ddac2a5c8b 2025-12-07T00:45:41,934 Successfully built deeporigin 2025-12-07T00:45:41,946 Removed build tracker: '/tmp/pip-build-tracker-hy6q1b6z'