2026-07-06T02:06:13,646 Created temporary directory: /tmp/pip-ephem-wheel-cache-xpqp3_0o 2026-07-06T02:06:13,648 Created temporary directory: /tmp/pip-build-tracker-3wla2mvr 2026-07-06T02:06:13,648 Initialized build tracking at /tmp/pip-build-tracker-3wla2mvr 2026-07-06T02:06:13,649 Created build tracker: /tmp/pip-build-tracker-3wla2mvr 2026-07-06T02:06:13,649 Entered build tracker: /tmp/pip-build-tracker-3wla2mvr 2026-07-06T02:06:13,650 Created temporary directory: /tmp/pip-wheel-nl_s5d7k 2026-07-06T02:06:13,653 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2026-07-06T02:06:13,655 Created temporary directory: /tmp/pip-ephem-wheel-cache-0lq9u713 2026-07-06T02:06:13,677 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-07-06T02:06:13,680 2 location(s) to search for versions of dock: 2026-07-06T02:06:13,680 * https://pypi.org/simple/dock/ 2026-07-06T02:06:13,680 * https://www.piwheels.org/simple/dock/ 2026-07-06T02:06:13,681 Fetching project page and analyzing links: https://pypi.org/simple/dock/ 2026-07-06T02:06:13,682 Getting page https://pypi.org/simple/dock/ 2026-07-06T02:06:13,683 Found index url https://pypi.org/simple 2026-07-06T02:06:14,013 Fetched page https://pypi.org/simple/dock/ as application/vnd.pypi.simple.v1+json 2026-07-06T02:06:14,014 Skipping link: No binaries permitted for dock: https://files.pythonhosted.org/packages/a0/03/179e49aa36c5e0ed85da435f585df1f0a4fb8a2142888fb1f1df36459b52/dock-0.1.0-py3-none-any.whl (from https://pypi.org/simple/dock/) (requires-python:>=3.10) 2026-07-06T02:06:14,015 Found link https://files.pythonhosted.org/packages/e5/65/94cff8e3e18bb3ee4deb6bac4353c8050f1b00b13f90c4869f18f45ee990/dock-0.1.0.tar.gz (from https://pypi.org/simple/dock/) (requires-python:>=3.10), version: 0.1.0 2026-07-06T02:06:14,016 Fetching project page and analyzing links: https://www.piwheels.org/simple/dock/ 2026-07-06T02:06:14,017 Getting page https://www.piwheels.org/simple/dock/ 2026-07-06T02:06:14,019 Found index url https://www.piwheels.org/simple 2026-07-06T02:06:14,360 Fetched page https://www.piwheels.org/simple/dock/ as text/html 2026-07-06T02:06:14,361 Skipping link: not a file: https://www.piwheels.org/simple/dock/ 2026-07-06T02:06:14,362 Skipping link: not a file: https://pypi.org/simple/dock/ 2026-07-06T02:06:14,382 Given no hashes to check 1 links for project 'dock': discarding no candidates 2026-07-06T02:06:14,401 Collecting dock==0.1.0 2026-07-06T02:06:14,403 Created temporary directory: /tmp/pip-unpack-38aqebr2 2026-07-06T02:06:14,653 Downloading dock-0.1.0.tar.gz (5.9 MB) 2026-07-06T02:06:16,383 Added dock==0.1.0 from https://files.pythonhosted.org/packages/e5/65/94cff8e3e18bb3ee4deb6bac4353c8050f1b00b13f90c4869f18f45ee990/dock-0.1.0.tar.gz to build tracker '/tmp/pip-build-tracker-3wla2mvr' 2026-07-06T02:06:16,392 Created temporary directory: /tmp/pip-build-env-9g2pxsvg 2026-07-06T02:06:16,397 Installing build dependencies: started 2026-07-06T02:06:16,398 Running command pip subprocess to install build dependencies 2026-07-06T02:06:17,565 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2026-07-06T02:06:17,985 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2026-07-06T02:06:18,008 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-07-06T02:06:20,051 Collecting setuptools>=61.0 2026-07-06T02:06:20,071 Using cached setuptools-83.0.0-py3-none-any.whl (1.0 MB) 2026-07-06T02:06:20,506 Collecting setuptools_scm[toml]>=7.1 2026-07-06T02:06:20,507 Obtaining dependency information for setuptools_scm[toml]>=7.1 from https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.0-py3-none-any.whl.metadata 2026-07-06T02:06:20,526 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.0-py3-none-any.whl.metadata (6.6 kB) 2026-07-06T02:06:20,536 Discarding https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.0-py3-none-any.whl#sha256=aea276de3de0e7db4e236bb9e5a53d6c9a6dddf092f72d3b6b14f6c8c0620c3c (from https://www.piwheels.org/simple/setuptools-scm/) (requires-python:>=3.8): Requested setuptools_scm>=7.1 from https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.0-py3-none-any.whl#sha256=aea276de3de0e7db4e236bb9e5a53d6c9a6dddf092f72d3b6b14f6c8c0620c3c has inconsistent Name: expected 'setuptools_scm', but metadata has 'setuptools-scm' 2026-07-06T02:06:20,562 Using cached setuptools_scm-10.2.0-py3-none-any.whl (27 kB) 2026-07-06T02:06:20,675 Collecting vcs-versioning<3,>=2.0.0.dev0 2026-07-06T02:06:20,676 Obtaining dependency information for vcs-versioning<3,>=2.0.0.dev0 from https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.2.2-py3-none-any.whl.metadata 2026-07-06T02:06:20,696 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.2.2-py3-none-any.whl.metadata (1.7 kB) 2026-07-06T02:06:20,879 Collecting packaging>=20 2026-07-06T02:06:20,880 Obtaining dependency information for packaging>=20 from https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl.metadata 2026-07-06T02:06:20,893 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl.metadata (3.5 kB) 2026-07-06T02:06:21,120 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl (100 kB) 2026-07-06T02:06:21,143 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.2.2-py3-none-any.whl (108 kB) 2026-07-06T02:06:21,165 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl (100 kB) 2026-07-06T02:06:21,194 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.2.2-py3-none-any.whl (108 kB) 2026-07-06T02:06:24,155 Installing collected packages: setuptools, packaging, vcs-versioning, setuptools_scm 2026-07-06T02:06:28,628 Creating /tmp/pip-build-env-9g2pxsvg/overlay/local/bin 2026-07-06T02:06:28,630 changing mode of /tmp/pip-build-env-9g2pxsvg/overlay/local/bin/vcs-versioning to 755 2026-07-06T02:06:28,757 changing mode of /tmp/pip-build-env-9g2pxsvg/overlay/local/bin/setuptools-scm to 755 2026-07-06T02:06:28,783 Successfully installed packaging-26.2 setuptools-83.0.0 setuptools_scm-10.2.0 vcs-versioning-2.2.2 2026-07-06T02:06:29,084 Installing build dependencies: finished with status 'done' 2026-07-06T02:06:29,091 Getting requirements to build wheel: started 2026-07-06T02:06:29,092 Running command Getting requirements to build wheel 2026-07-06T02:06:29,873 /tmp/pip-build-env-9g2pxsvg/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-07-06T02:06:29,874 !! 2026-07-06T02:06:29,875 ******************************************************************************** 2026-07-06T02:06:29,875 Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0). 2026-07-06T02:06:29,876 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-07-06T02:06:29,877 or your builds will no longer be supported. 2026-07-06T02:06:29,878 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-07-06T02:06:29,879 ******************************************************************************** 2026-07-06T02:06:29,880 !! 2026-07-06T02:06:29,880 corresp(dist, value, root_dir) 2026-07-06T02:06:29,940 running egg_info 2026-07-06T02:06:29,948 writing dock.egg-info/PKG-INFO 2026-07-06T02:06:29,955 writing dependency_links to dock.egg-info/dependency_links.txt 2026-07-06T02:06:29,957 writing entry points to dock.egg-info/entry_points.txt 2026-07-06T02:06:29,961 writing requirements to dock.egg-info/requires.txt 2026-07-06T02:06:29,962 writing top-level names to dock.egg-info/top_level.txt 2026-07-06T02:06:30,044 listing git files failed - pretending there aren't any 2026-07-06T02:06:30,051 reading manifest file 'dock.egg-info/SOURCES.txt' 2026-07-06T02:06:30,059 reading manifest template 'MANIFEST.in' 2026-07-06T02:06:30,085 warning: no files found matching 'test_files/data/*.*' under directory 'spock' 2026-07-06T02:06:30,109 warning: no files found matching 'test_data/*.*' under directory 'spock' 2026-07-06T02:06:30,146 warning: no files found matching '*.tsv' under directory 'spock' 2026-07-06T02:06:30,183 warning: no files found matching '*.json' under directory 'spock' 2026-07-06T02:06:30,221 warning: no files found matching '*.txt' under directory 'spock' 2026-07-06T02:06:30,263 warning: no files found matching '*.md' under directory 'spock' 2026-07-06T02:06:30,264 no previously-included directories found matching 'spock/data' 2026-07-06T02:06:30,265 no previously-included directories found matching 'spock/gui/utils/output' 2026-07-06T02:06:30,266 adding license file 'LICENSE' 2026-07-06T02:06:30,273 writing manifest file 'dock.egg-info/SOURCES.txt' 2026-07-06T02:06:30,384 Getting requirements to build wheel: finished with status 'done' 2026-07-06T02:06:30,387 Created temporary directory: /tmp/pip-modern-metadata-wtnrg6p4 2026-07-06T02:06:30,389 Preparing metadata (pyproject.toml): started 2026-07-06T02:06:30,390 Running command Preparing metadata (pyproject.toml) 2026-07-06T02:06:31,842 /tmp/pip-build-env-9g2pxsvg/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-07-06T02:06:31,843 !! 2026-07-06T02:06:31,844 ******************************************************************************** 2026-07-06T02:06:31,845 Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0). 2026-07-06T02:06:31,846 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-07-06T02:06:31,847 or your builds will no longer be supported. 2026-07-06T02:06:31,849 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-07-06T02:06:31,850 ******************************************************************************** 2026-07-06T02:06:31,851 !! 2026-07-06T02:06:31,852 corresp(dist, value, root_dir) 2026-07-06T02:06:31,919 running dist_info 2026-07-06T02:06:31,921 creating /tmp/pip-modern-metadata-wtnrg6p4/dock.egg-info 2026-07-06T02:06:31,929 writing /tmp/pip-modern-metadata-wtnrg6p4/dock.egg-info/PKG-INFO 2026-07-06T02:06:31,936 writing dependency_links to /tmp/pip-modern-metadata-wtnrg6p4/dock.egg-info/dependency_links.txt 2026-07-06T02:06:31,938 writing entry points to /tmp/pip-modern-metadata-wtnrg6p4/dock.egg-info/entry_points.txt 2026-07-06T02:06:31,941 writing requirements to /tmp/pip-modern-metadata-wtnrg6p4/dock.egg-info/requires.txt 2026-07-06T02:06:31,943 writing top-level names to /tmp/pip-modern-metadata-wtnrg6p4/dock.egg-info/top_level.txt 2026-07-06T02:06:31,944 writing manifest file '/tmp/pip-modern-metadata-wtnrg6p4/dock.egg-info/SOURCES.txt' 2026-07-06T02:06:32,020 listing git files failed - pretending there aren't any 2026-07-06T02:06:32,026 reading manifest file '/tmp/pip-modern-metadata-wtnrg6p4/dock.egg-info/SOURCES.txt' 2026-07-06T02:06:32,028 reading manifest template 'MANIFEST.in' 2026-07-06T02:06:32,049 warning: no files found matching 'test_files/data/*.*' under directory 'spock' 2026-07-06T02:06:32,073 warning: no files found matching 'test_data/*.*' under directory 'spock' 2026-07-06T02:06:32,109 warning: no files found matching '*.tsv' under directory 'spock' 2026-07-06T02:06:32,146 warning: no files found matching '*.json' under directory 'spock' 2026-07-06T02:06:32,181 warning: no files found matching '*.txt' under directory 'spock' 2026-07-06T02:06:32,218 warning: no files found matching '*.md' under directory 'spock' 2026-07-06T02:06:32,219 no previously-included directories found matching 'spock/data' 2026-07-06T02:06:32,220 no previously-included directories found matching 'spock/gui/utils/output' 2026-07-06T02:06:32,220 adding license file 'LICENSE' 2026-07-06T02:06:32,225 writing manifest file '/tmp/pip-modern-metadata-wtnrg6p4/dock.egg-info/SOURCES.txt' 2026-07-06T02:06:32,226 creating '/tmp/pip-modern-metadata-wtnrg6p4/dock-0.1.0.dist-info' 2026-07-06T02:06:32,365 Preparing metadata (pyproject.toml): finished with status 'done' 2026-07-06T02:06:32,371 Source in /tmp/pip-wheel-nl_s5d7k/dock_4d4350bf656d482b87221c3f5da7416d has version 0.1.0, which satisfies requirement dock==0.1.0 from https://files.pythonhosted.org/packages/e5/65/94cff8e3e18bb3ee4deb6bac4353c8050f1b00b13f90c4869f18f45ee990/dock-0.1.0.tar.gz 2026-07-06T02:06:32,372 Removed dock==0.1.0 from https://files.pythonhosted.org/packages/e5/65/94cff8e3e18bb3ee4deb6bac4353c8050f1b00b13f90c4869f18f45ee990/dock-0.1.0.tar.gz from build tracker '/tmp/pip-build-tracker-3wla2mvr' 2026-07-06T02:06:32,379 Created temporary directory: /tmp/pip-unpack-xjengn29 2026-07-06T02:06:32,379 Building wheels for collected packages: dock 2026-07-06T02:06:32,383 Created temporary directory: /tmp/pip-wheel-z0ed1z2x 2026-07-06T02:06:32,384 Destination directory: /tmp/pip-wheel-z0ed1z2x 2026-07-06T02:06:32,386 Building wheel for dock (pyproject.toml): started 2026-07-06T02:06:32,388 Running command Building wheel for dock (pyproject.toml) 2026-07-06T02:06:33,096 /tmp/pip-build-env-9g2pxsvg/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-07-06T02:06:33,096 !! 2026-07-06T02:06:33,097 ******************************************************************************** 2026-07-06T02:06:33,098 Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0). 2026-07-06T02:06:33,099 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-07-06T02:06:33,100 or your builds will no longer be supported. 2026-07-06T02:06:33,101 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-07-06T02:06:33,101 ******************************************************************************** 2026-07-06T02:06:33,102 !! 2026-07-06T02:06:33,103 corresp(dist, value, root_dir) 2026-07-06T02:06:33,156 running bdist_wheel 2026-07-06T02:06:33,180 running build 2026-07-06T02:06:33,181 running build_py 2026-07-06T02:06:33,183 creating build/lib/spock 2026-07-06T02:06:33,185 copying spock/config.py -> build/lib/spock 2026-07-06T02:06:33,187 copying spock/_version.py -> build/lib/spock 2026-07-06T02:06:33,188 copying spock/__init__.py -> build/lib/spock 2026-07-06T02:06:33,191 creating build/lib/spock/gui 2026-07-06T02:06:33,192 copying spock/gui/config.py -> build/lib/spock/gui 2026-07-06T02:06:33,194 copying spock/gui/addon.py -> build/lib/spock/gui 2026-07-06T02:06:33,195 copying spock/gui/__init__.py -> build/lib/spock/gui 2026-07-06T02:06:33,197 copying spock/gui/launcher.py -> build/lib/spock/gui 2026-07-06T02:06:33,200 creating build/lib/spock/parallel 2026-07-06T02:06:33,201 copying spock/parallel/dock.py -> build/lib/spock/parallel 2026-07-06T02:06:33,204 copying spock/parallel/iterators.py -> build/lib/spock/parallel 2026-07-06T02:06:33,205 copying spock/parallel/prep.py -> build/lib/spock/parallel 2026-07-06T02:06:33,207 copying spock/parallel/__init__.py -> build/lib/spock/parallel 2026-07-06T02:06:33,209 copying spock/parallel/dataframes.py -> build/lib/spock/parallel 2026-07-06T02:06:33,211 creating build/lib/spock/docking 2026-07-06T02:06:33,212 copying spock/docking/base.py -> build/lib/spock/docking 2026-07-06T02:06:33,214 copying spock/docking/__init__.py -> build/lib/spock/docking 2026-07-06T02:06:33,217 creating build/lib/spock/ml 2026-07-06T02:06:33,218 copying spock/ml/tests.py -> build/lib/spock/ml 2026-07-06T02:06:33,220 copying spock/ml/__init__.py -> build/lib/spock/ml 2026-07-06T02:06:33,222 copying spock/ml/descriptors.py -> build/lib/spock/ml 2026-07-06T02:06:33,224 creating build/lib/spock/gnn 2026-07-06T02:06:33,225 copying spock/gnn/config.py -> build/lib/spock/gnn 2026-07-06T02:06:33,227 copying spock/gnn/models.py -> build/lib/spock/gnn 2026-07-06T02:06:33,230 copying spock/gnn/__init__.py -> build/lib/spock/gnn 2026-07-06T02:06:33,232 creating build/lib/spock/prep 2026-07-06T02:06:33,233 copying spock/prep/dimorphite.py -> build/lib/spock/prep 2026-07-06T02:06:33,235 copying spock/prep/base.py -> build/lib/spock/prep 2026-07-06T02:06:33,237 copying spock/prep/__init__.py -> build/lib/spock/prep 2026-07-06T02:06:33,239 copying spock/prep/ligprep.py -> build/lib/spock/prep 2026-07-06T02:06:33,241 creating build/lib/spock/graphs 2026-07-06T02:06:33,243 copying spock/graphs/featurizers.py -> build/lib/spock/graphs 2026-07-06T02:06:33,246 copying spock/graphs/__init__.py -> build/lib/spock/graphs 2026-07-06T02:06:33,247 copying spock/graphs/graphs.py -> build/lib/spock/graphs 2026-07-06T02:06:33,251 creating build/lib/spock/storage 2026-07-06T02:06:33,251 copying spock/storage/base.py -> build/lib/spock/storage 2026-07-06T02:06:33,253 copying spock/storage/__init__.py -> build/lib/spock/storage 2026-07-06T02:06:33,255 copying spock/storage/tabular.py -> build/lib/spock/storage 2026-07-06T02:06:33,258 creating build/lib/spock/utils 2026-07-06T02:06:33,259 copying spock/utils/loaders.py -> build/lib/spock/utils 2026-07-06T02:06:33,261 copying spock/utils/compress.py -> build/lib/spock/utils 2026-07-06T02:06:33,262 copying spock/utils/__init__.py -> build/lib/spock/utils 2026-07-06T02:06:33,264 copying spock/utils/dataframes.py -> build/lib/spock/utils 2026-07-06T02:06:33,266 copying spock/utils/exec.py -> build/lib/spock/utils 2026-07-06T02:06:33,268 creating build/lib/spock/gui/gui 2026-07-06T02:06:33,269 copying spock/gui/gui/plotting.py -> build/lib/spock/gui/gui 2026-07-06T02:06:33,271 copying spock/gui/gui/elements.py -> build/lib/spock/gui/gui 2026-07-06T02:06:33,273 copying spock/gui/gui/main.py -> build/lib/spock/gui/gui 2026-07-06T02:06:33,276 copying spock/gui/gui/multithreading.py -> build/lib/spock/gui/gui 2026-07-06T02:06:33,278 copying spock/gui/gui/widgets.py -> build/lib/spock/gui/gui 2026-07-06T02:06:33,283 copying spock/gui/gui/__init__.py -> build/lib/spock/gui/gui 2026-07-06T02:06:33,284 copying spock/gui/gui/styles.py -> build/lib/spock/gui/gui 2026-07-06T02:06:33,286 copying spock/gui/gui/utils.py -> build/lib/spock/gui/gui 2026-07-06T02:06:33,289 creating build/lib/spock/gui/data 2026-07-06T02:06:33,290 copying spock/gui/data/tables.py -> build/lib/spock/gui/data 2026-07-06T02:06:33,293 copying spock/gui/data/molecules.py -> build/lib/spock/gui/data 2026-07-06T02:06:33,295 copying spock/gui/data/proteins.py -> build/lib/spock/gui/data 2026-07-06T02:06:33,298 copying spock/gui/data/__init__.py -> build/lib/spock/gui/data 2026-07-06T02:06:33,300 copying spock/gui/data/storage.py -> build/lib/spock/gui/data 2026-07-06T02:06:33,303 creating build/lib/spock/gui/utils 2026-07-06T02:06:33,305 copying spock/gui/utils/docking.py -> build/lib/spock/gui/utils 2026-07-06T02:06:33,307 copying spock/gui/utils/show_contacts.py -> build/lib/spock/gui/utils 2026-07-06T02:06:33,310 copying spock/gui/utils/__init__.py -> build/lib/spock/gui/utils 2026-07-06T02:06:33,311 copying spock/gui/utils/pymol.py -> build/lib/spock/gui/utils 2026-07-06T02:06:33,314 copying spock/gui/utils/pdbqt_utils.py -> build/lib/spock/gui/utils 2026-07-06T02:06:33,316 copying spock/gui/utils/plip_contacts.py -> build/lib/spock/gui/utils 2026-07-06T02:06:33,320 creating build/lib/spock/docking/vina 2026-07-06T02:06:33,322 copying spock/docking/vina/tests.py -> build/lib/spock/docking/vina 2026-07-06T02:06:33,324 copying spock/docking/vina/cpu_local.py -> build/lib/spock/docking/vina 2026-07-06T02:06:33,326 copying spock/docking/vina/base.py -> build/lib/spock/docking/vina 2026-07-06T02:06:33,328 copying spock/docking/vina/gpu.py -> build/lib/spock/docking/vina 2026-07-06T02:06:33,330 copying spock/docking/vina/__init__.py -> build/lib/spock/docking/vina 2026-07-06T02:06:33,331 copying spock/docking/vina/cpu.py -> build/lib/spock/docking/vina 2026-07-06T02:06:33,334 copying spock/docking/vina/utils.py -> build/lib/spock/docking/vina 2026-07-06T02:06:33,336 creating build/lib/spock/gnn/gui 2026-07-06T02:06:33,337 copying spock/gnn/gui/__init__.py -> build/lib/spock/gnn/gui 2026-07-06T02:06:33,339 creating build/lib/spock/gnn/data 2026-07-06T02:06:33,340 copying spock/gnn/data/dataset.py -> build/lib/spock/gnn/data 2026-07-06T02:06:33,342 copying spock/gnn/data/__init__.py -> build/lib/spock/gnn/data 2026-07-06T02:06:33,344 copying spock/gnn/data/storage.py -> build/lib/spock/gnn/data 2026-07-06T02:06:33,346 copying spock/gnn/data/utils.py -> build/lib/spock/gnn/data 2026-07-06T02:06:33,349 creating build/lib/spock/storage/tests 2026-07-06T02:06:33,349 copying spock/storage/tests/tests.py -> build/lib/spock/storage/tests 2026-07-06T02:06:33,352 copying spock/storage/tests/__init__.py -> build/lib/spock/storage/tests 2026-07-06T02:06:33,354 copying spock/storage/tests/utils.py -> build/lib/spock/storage/tests 2026-07-06T02:06:33,356 creating build/lib/spock/utils/formats 2026-07-06T02:06:33,357 copying spock/utils/formats/pdb.py -> build/lib/spock/utils/formats 2026-07-06T02:06:33,359 copying spock/utils/formats/__init__.py -> build/lib/spock/utils/formats 2026-07-06T02:06:33,361 copying spock/utils/formats/mol.py -> build/lib/spock/utils/formats 2026-07-06T02:06:33,363 copying spock/utils/formats/sdf.py -> build/lib/spock/utils/formats 2026-07-06T02:06:33,365 creating build/lib/spock/utils/containers 2026-07-06T02:06:33,366 copying spock/utils/containers/containers.py -> build/lib/spock/utils/containers 2026-07-06T02:06:33,368 copying spock/utils/containers/__init__.py -> build/lib/spock/utils/containers 2026-07-06T02:06:33,370 creating build/lib/spock/utils/logs 2026-07-06T02:06:33,371 copying spock/utils/logs/logs.py -> build/lib/spock/utils/logs 2026-07-06T02:06:33,373 copying spock/utils/logs/__init__.py -> build/lib/spock/utils/logs 2026-07-06T02:06:33,375 creating build/lib/spock/utils/graphs 2026-07-06T02:06:33,376 copying spock/utils/graphs/featurizers.py -> build/lib/spock/utils/graphs 2026-07-06T02:06:33,378 copying spock/utils/graphs/__init__.py -> build/lib/spock/utils/graphs 2026-07-06T02:06:33,379 copying spock/utils/graphs/graphs.py -> build/lib/spock/utils/graphs 2026-07-06T02:06:33,381 running egg_info 2026-07-06T02:06:33,388 writing dock.egg-info/PKG-INFO 2026-07-06T02:06:33,395 writing dependency_links to dock.egg-info/dependency_links.txt 2026-07-06T02:06:33,397 writing entry points to dock.egg-info/entry_points.txt 2026-07-06T02:06:33,400 writing requirements to dock.egg-info/requires.txt 2026-07-06T02:06:33,401 writing top-level names to dock.egg-info/top_level.txt 2026-07-06T02:06:33,468 listing git files failed - pretending there aren't any 2026-07-06T02:06:33,474 reading manifest file 'dock.egg-info/SOURCES.txt' 2026-07-06T02:06:33,481 reading manifest template 'MANIFEST.in' 2026-07-06T02:06:33,503 warning: no files found matching 'test_files/data/*.*' under directory 'spock' 2026-07-06T02:06:33,524 warning: no files found matching 'test_data/*.*' under directory 'spock' 2026-07-06T02:06:33,559 warning: no files found matching '*.tsv' under directory 'spock' 2026-07-06T02:06:33,598 warning: no files found matching '*.json' under directory 'spock' 2026-07-06T02:06:33,634 warning: no files found matching '*.txt' under directory 'spock' 2026-07-06T02:06:33,671 warning: no files found matching '*.md' under directory 'spock' 2026-07-06T02:06:33,672 no previously-included directories found matching 'spock/data' 2026-07-06T02:06:33,673 no previously-included directories found matching 'spock/gui/utils/output' 2026-07-06T02:06:33,673 adding license file 'LICENSE' 2026-07-06T02:06:33,680 writing manifest file 'dock.egg-info/SOURCES.txt' 2026-07-06T02:06:33,695 copying spock/gnn/conf.yaml -> build/lib/spock/gnn 2026-07-06T02:06:33,697 creating build/lib/spock/gui/data/assets 2026-07-06T02:06:33,698 copying spock/gui/data/assets/pinned_13248986832.pdbqt -> build/lib/spock/gui/data/assets 2026-07-06T02:06:33,700 copying spock/gui/data/assets/pinned_13249040720.pdbqt -> build/lib/spock/gui/data/assets 2026-07-06T02:06:33,703 copying spock/gui/data/assets/pinned_13249087440.pdbqt -> build/lib/spock/gui/data/assets 2026-07-06T02:06:33,705 copying spock/gui/data/assets/pinned_13249388880.pdbqt -> build/lib/spock/gui/data/assets 2026-07-06T02:06:33,708 copying spock/gui/data/assets/pinned_13249389456.pdbqt -> build/lib/spock/gui/data/assets 2026-07-06T02:06:33,711 copying spock/gui/data/assets/pinned_13420331856.pdbqt -> build/lib/spock/gui/data/assets 2026-07-06T02:06:33,714 copying spock/gui/data/assets/pinned_13420442384.pdbqt -> build/lib/spock/gui/data/assets 2026-07-06T02:06:33,717 copying spock/gui/data/assets/temp.pdbqt -> build/lib/spock/gui/data/assets 2026-07-06T02:06:33,720 copying spock/gui/data/assets/temp.png -> build/lib/spock/gui/data/assets 2026-07-06T02:06:33,722 copying spock/gui/data/assets/temp_pose.pdbqt -> build/lib/spock/gui/data/assets 2026-07-06T02:06:33,724 creating build/lib/spock/docking/vina/test_files 2026-07-06T02:06:33,725 copying spock/docking/vina/test_files/5T1A_clean_mutations_reversed_withHs.pdb -> build/lib/spock/docking/vina/test_files 2026-07-06T02:06:33,746 copying spock/docking/vina/test_files/5T1A_clean_mutations_reversed_withHs.pdbqt -> build/lib/spock/docking/vina/test_files 2026-07-06T02:06:33,753 creating build/lib/spock/storage/tests/test_files 2026-07-06T02:06:33,754 copying spock/storage/tests/test_files/example_smiles.csv -> build/lib/spock/storage/tests/test_files 2026-07-06T02:06:33,781 installing to build/bdist.linux-armv7l/wheel 2026-07-06T02:06:33,781 running install 2026-07-06T02:06:33,803 running install_lib 2026-07-06T02:06:33,810 creating build/bdist.linux-armv7l/wheel 2026-07-06T02:06:33,812 creating build/bdist.linux-armv7l/wheel/spock 2026-07-06T02:06:33,814 creating build/bdist.linux-armv7l/wheel/spock/gui 2026-07-06T02:06:33,815 creating build/bdist.linux-armv7l/wheel/spock/gui/gui 2026-07-06T02:06:33,817 copying build/lib/spock/gui/gui/plotting.py -> build/bdist.linux-armv7l/wheel/./spock/gui/gui 2026-07-06T02:06:33,819 copying build/lib/spock/gui/gui/elements.py -> build/bdist.linux-armv7l/wheel/./spock/gui/gui 2026-07-06T02:06:33,821 copying build/lib/spock/gui/gui/main.py -> build/bdist.linux-armv7l/wheel/./spock/gui/gui 2026-07-06T02:06:33,824 copying build/lib/spock/gui/gui/multithreading.py -> build/bdist.linux-armv7l/wheel/./spock/gui/gui 2026-07-06T02:06:33,826 copying build/lib/spock/gui/gui/widgets.py -> build/bdist.linux-armv7l/wheel/./spock/gui/gui 2026-07-06T02:06:33,831 copying build/lib/spock/gui/gui/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/gui/gui 2026-07-06T02:06:33,832 copying build/lib/spock/gui/gui/styles.py -> build/bdist.linux-armv7l/wheel/./spock/gui/gui 2026-07-06T02:06:33,834 copying build/lib/spock/gui/gui/utils.py -> build/bdist.linux-armv7l/wheel/./spock/gui/gui 2026-07-06T02:06:33,835 copying build/lib/spock/gui/config.py -> build/bdist.linux-armv7l/wheel/./spock/gui 2026-07-06T02:06:33,837 copying build/lib/spock/gui/addon.py -> build/bdist.linux-armv7l/wheel/./spock/gui 2026-07-06T02:06:33,839 copying build/lib/spock/gui/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/gui 2026-07-06T02:06:33,841 creating build/bdist.linux-armv7l/wheel/spock/gui/data 2026-07-06T02:06:33,842 copying build/lib/spock/gui/data/tables.py -> build/bdist.linux-armv7l/wheel/./spock/gui/data 2026-07-06T02:06:33,844 creating build/bdist.linux-armv7l/wheel/spock/gui/data/assets 2026-07-06T02:06:33,845 copying build/lib/spock/gui/data/assets/pinned_13420331856.pdbqt -> build/bdist.linux-armv7l/wheel/./spock/gui/data/assets 2026-07-06T02:06:33,848 copying build/lib/spock/gui/data/assets/temp.png -> build/bdist.linux-armv7l/wheel/./spock/gui/data/assets 2026-07-06T02:06:33,849 copying build/lib/spock/gui/data/assets/pinned_13249087440.pdbqt -> build/bdist.linux-armv7l/wheel/./spock/gui/data/assets 2026-07-06T02:06:33,851 copying build/lib/spock/gui/data/assets/pinned_13249388880.pdbqt -> build/bdist.linux-armv7l/wheel/./spock/gui/data/assets 2026-07-06T02:06:33,853 copying build/lib/spock/gui/data/assets/pinned_13420442384.pdbqt -> build/bdist.linux-armv7l/wheel/./spock/gui/data/assets 2026-07-06T02:06:33,856 copying build/lib/spock/gui/data/assets/temp.pdbqt -> build/bdist.linux-armv7l/wheel/./spock/gui/data/assets 2026-07-06T02:06:33,858 copying build/lib/spock/gui/data/assets/pinned_13249389456.pdbqt -> build/bdist.linux-armv7l/wheel/./spock/gui/data/assets 2026-07-06T02:06:33,860 copying build/lib/spock/gui/data/assets/temp_pose.pdbqt -> build/bdist.linux-armv7l/wheel/./spock/gui/data/assets 2026-07-06T02:06:33,862 copying build/lib/spock/gui/data/assets/pinned_13249040720.pdbqt -> build/bdist.linux-armv7l/wheel/./spock/gui/data/assets 2026-07-06T02:06:33,864 copying build/lib/spock/gui/data/assets/pinned_13248986832.pdbqt -> build/bdist.linux-armv7l/wheel/./spock/gui/data/assets 2026-07-06T02:06:33,867 copying build/lib/spock/gui/data/molecules.py -> build/bdist.linux-armv7l/wheel/./spock/gui/data 2026-07-06T02:06:33,869 copying build/lib/spock/gui/data/proteins.py -> build/bdist.linux-armv7l/wheel/./spock/gui/data 2026-07-06T02:06:33,871 copying build/lib/spock/gui/data/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/gui/data 2026-07-06T02:06:33,873 copying build/lib/spock/gui/data/storage.py -> build/bdist.linux-armv7l/wheel/./spock/gui/data 2026-07-06T02:06:33,876 creating build/bdist.linux-armv7l/wheel/spock/gui/utils 2026-07-06T02:06:33,877 copying build/lib/spock/gui/utils/docking.py -> build/bdist.linux-armv7l/wheel/./spock/gui/utils 2026-07-06T02:06:33,879 copying build/lib/spock/gui/utils/show_contacts.py -> build/bdist.linux-armv7l/wheel/./spock/gui/utils 2026-07-06T02:06:33,881 copying build/lib/spock/gui/utils/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/gui/utils 2026-07-06T02:06:33,883 copying build/lib/spock/gui/utils/pymol.py -> build/bdist.linux-armv7l/wheel/./spock/gui/utils 2026-07-06T02:06:33,885 copying build/lib/spock/gui/utils/pdbqt_utils.py -> build/bdist.linux-armv7l/wheel/./spock/gui/utils 2026-07-06T02:06:33,887 copying build/lib/spock/gui/utils/plip_contacts.py -> build/bdist.linux-armv7l/wheel/./spock/gui/utils 2026-07-06T02:06:33,890 copying build/lib/spock/gui/launcher.py -> build/bdist.linux-armv7l/wheel/./spock/gui 2026-07-06T02:06:33,892 creating build/bdist.linux-armv7l/wheel/spock/parallel 2026-07-06T02:06:33,893 copying build/lib/spock/parallel/dock.py -> build/bdist.linux-armv7l/wheel/./spock/parallel 2026-07-06T02:06:33,896 copying build/lib/spock/parallel/iterators.py -> build/bdist.linux-armv7l/wheel/./spock/parallel 2026-07-06T02:06:33,898 copying build/lib/spock/parallel/prep.py -> build/bdist.linux-armv7l/wheel/./spock/parallel 2026-07-06T02:06:33,899 copying build/lib/spock/parallel/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/parallel 2026-07-06T02:06:33,901 copying build/lib/spock/parallel/dataframes.py -> build/bdist.linux-armv7l/wheel/./spock/parallel 2026-07-06T02:06:33,903 copying build/lib/spock/config.py -> build/bdist.linux-armv7l/wheel/./spock 2026-07-06T02:06:33,906 creating build/bdist.linux-armv7l/wheel/spock/docking 2026-07-06T02:06:33,907 copying build/lib/spock/docking/base.py -> build/bdist.linux-armv7l/wheel/./spock/docking 2026-07-06T02:06:33,909 copying build/lib/spock/docking/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/docking 2026-07-06T02:06:33,911 creating build/bdist.linux-armv7l/wheel/spock/docking/vina 2026-07-06T02:06:33,913 creating build/bdist.linux-armv7l/wheel/spock/docking/vina/test_files 2026-07-06T02:06:33,914 copying build/lib/spock/docking/vina/test_files/5T1A_clean_mutations_reversed_withHs.pdb -> build/bdist.linux-armv7l/wheel/./spock/docking/vina/test_files 2026-07-06T02:06:33,925 copying build/lib/spock/docking/vina/test_files/5T1A_clean_mutations_reversed_withHs.pdbqt -> build/bdist.linux-armv7l/wheel/./spock/docking/vina/test_files 2026-07-06T02:06:33,931 copying build/lib/spock/docking/vina/tests.py -> build/bdist.linux-armv7l/wheel/./spock/docking/vina 2026-07-06T02:06:33,933 copying build/lib/spock/docking/vina/cpu_local.py -> build/bdist.linux-armv7l/wheel/./spock/docking/vina 2026-07-06T02:06:33,935 copying build/lib/spock/docking/vina/base.py -> build/bdist.linux-armv7l/wheel/./spock/docking/vina 2026-07-06T02:06:33,937 copying build/lib/spock/docking/vina/gpu.py -> build/bdist.linux-armv7l/wheel/./spock/docking/vina 2026-07-06T02:06:33,939 copying build/lib/spock/docking/vina/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/docking/vina 2026-07-06T02:06:33,940 copying build/lib/spock/docking/vina/cpu.py -> build/bdist.linux-armv7l/wheel/./spock/docking/vina 2026-07-06T02:06:33,943 copying build/lib/spock/docking/vina/utils.py -> build/bdist.linux-armv7l/wheel/./spock/docking/vina 2026-07-06T02:06:33,945 creating build/bdist.linux-armv7l/wheel/spock/ml 2026-07-06T02:06:33,946 copying build/lib/spock/ml/tests.py -> build/bdist.linux-armv7l/wheel/./spock/ml 2026-07-06T02:06:33,948 copying build/lib/spock/ml/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/ml 2026-07-06T02:06:33,950 copying build/lib/spock/ml/descriptors.py -> build/bdist.linux-armv7l/wheel/./spock/ml 2026-07-06T02:06:33,951 copying build/lib/spock/_version.py -> build/bdist.linux-armv7l/wheel/./spock 2026-07-06T02:06:33,953 copying build/lib/spock/__init__.py -> build/bdist.linux-armv7l/wheel/./spock 2026-07-06T02:06:33,955 creating build/bdist.linux-armv7l/wheel/spock/gnn 2026-07-06T02:06:33,957 creating build/bdist.linux-armv7l/wheel/spock/gnn/gui 2026-07-06T02:06:33,958 copying build/lib/spock/gnn/gui/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/gnn/gui 2026-07-06T02:06:33,960 copying build/lib/spock/gnn/config.py -> build/bdist.linux-armv7l/wheel/./spock/gnn 2026-07-06T02:06:33,961 copying build/lib/spock/gnn/models.py -> build/bdist.linux-armv7l/wheel/./spock/gnn 2026-07-06T02:06:33,964 copying build/lib/spock/gnn/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/gnn 2026-07-06T02:06:33,967 creating build/bdist.linux-armv7l/wheel/spock/gnn/data 2026-07-06T02:06:33,968 copying build/lib/spock/gnn/data/dataset.py -> build/bdist.linux-armv7l/wheel/./spock/gnn/data 2026-07-06T02:06:33,970 copying build/lib/spock/gnn/data/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/gnn/data 2026-07-06T02:06:33,972 copying build/lib/spock/gnn/data/storage.py -> build/bdist.linux-armv7l/wheel/./spock/gnn/data 2026-07-06T02:06:33,974 copying build/lib/spock/gnn/data/utils.py -> build/bdist.linux-armv7l/wheel/./spock/gnn/data 2026-07-06T02:06:33,976 copying build/lib/spock/gnn/conf.yaml -> build/bdist.linux-armv7l/wheel/./spock/gnn 2026-07-06T02:06:33,979 creating build/bdist.linux-armv7l/wheel/spock/prep 2026-07-06T02:06:33,981 copying build/lib/spock/prep/dimorphite.py -> build/bdist.linux-armv7l/wheel/./spock/prep 2026-07-06T02:06:33,983 copying build/lib/spock/prep/base.py -> build/bdist.linux-armv7l/wheel/./spock/prep 2026-07-06T02:06:33,985 copying build/lib/spock/prep/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/prep 2026-07-06T02:06:33,987 copying build/lib/spock/prep/ligprep.py -> build/bdist.linux-armv7l/wheel/./spock/prep 2026-07-06T02:06:33,991 creating build/bdist.linux-armv7l/wheel/spock/graphs 2026-07-06T02:06:33,993 copying build/lib/spock/graphs/featurizers.py -> build/bdist.linux-armv7l/wheel/./spock/graphs 2026-07-06T02:06:33,995 copying build/lib/spock/graphs/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/graphs 2026-07-06T02:06:33,998 copying build/lib/spock/graphs/graphs.py -> build/bdist.linux-armv7l/wheel/./spock/graphs 2026-07-06T02:06:34,001 creating build/bdist.linux-armv7l/wheel/spock/storage 2026-07-06T02:06:34,002 copying build/lib/spock/storage/base.py -> build/bdist.linux-armv7l/wheel/./spock/storage 2026-07-06T02:06:34,005 copying build/lib/spock/storage/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/storage 2026-07-06T02:06:34,007 copying build/lib/spock/storage/tabular.py -> build/bdist.linux-armv7l/wheel/./spock/storage 2026-07-06T02:06:34,010 creating build/bdist.linux-armv7l/wheel/spock/storage/tests 2026-07-06T02:06:34,012 creating build/bdist.linux-armv7l/wheel/spock/storage/tests/test_files 2026-07-06T02:06:34,013 copying build/lib/spock/storage/tests/test_files/example_smiles.csv -> build/bdist.linux-armv7l/wheel/./spock/storage/tests/test_files 2026-07-06T02:06:34,015 copying build/lib/spock/storage/tests/tests.py -> build/bdist.linux-armv7l/wheel/./spock/storage/tests 2026-07-06T02:06:34,018 copying build/lib/spock/storage/tests/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/storage/tests 2026-07-06T02:06:34,020 copying build/lib/spock/storage/tests/utils.py -> build/bdist.linux-armv7l/wheel/./spock/storage/tests 2026-07-06T02:06:34,023 creating build/bdist.linux-armv7l/wheel/spock/utils 2026-07-06T02:06:34,024 copying build/lib/spock/utils/loaders.py -> build/bdist.linux-armv7l/wheel/./spock/utils 2026-07-06T02:06:34,027 creating build/bdist.linux-armv7l/wheel/spock/utils/formats 2026-07-06T02:06:34,028 copying build/lib/spock/utils/formats/pdb.py -> build/bdist.linux-armv7l/wheel/./spock/utils/formats 2026-07-06T02:06:34,031 copying build/lib/spock/utils/formats/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/utils/formats 2026-07-06T02:06:34,033 copying build/lib/spock/utils/formats/mol.py -> build/bdist.linux-armv7l/wheel/./spock/utils/formats 2026-07-06T02:06:34,035 copying build/lib/spock/utils/formats/sdf.py -> build/bdist.linux-armv7l/wheel/./spock/utils/formats 2026-07-06T02:06:34,038 copying build/lib/spock/utils/compress.py -> build/bdist.linux-armv7l/wheel/./spock/utils 2026-07-06T02:06:34,040 creating build/bdist.linux-armv7l/wheel/spock/utils/containers 2026-07-06T02:06:34,042 copying build/lib/spock/utils/containers/containers.py -> build/bdist.linux-armv7l/wheel/./spock/utils/containers 2026-07-06T02:06:34,044 copying build/lib/spock/utils/containers/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/utils/containers 2026-07-06T02:06:34,046 copying build/lib/spock/utils/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/utils 2026-07-06T02:06:34,048 copying build/lib/spock/utils/dataframes.py -> build/bdist.linux-armv7l/wheel/./spock/utils 2026-07-06T02:06:34,050 creating build/bdist.linux-armv7l/wheel/spock/utils/logs 2026-07-06T02:06:34,052 copying build/lib/spock/utils/logs/logs.py -> build/bdist.linux-armv7l/wheel/./spock/utils/logs 2026-07-06T02:06:34,054 copying build/lib/spock/utils/logs/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/utils/logs 2026-07-06T02:06:34,056 copying build/lib/spock/utils/exec.py -> build/bdist.linux-armv7l/wheel/./spock/utils 2026-07-06T02:06:34,059 creating build/bdist.linux-armv7l/wheel/spock/utils/graphs 2026-07-06T02:06:34,060 copying build/lib/spock/utils/graphs/featurizers.py -> build/bdist.linux-armv7l/wheel/./spock/utils/graphs 2026-07-06T02:06:34,062 copying build/lib/spock/utils/graphs/__init__.py -> build/bdist.linux-armv7l/wheel/./spock/utils/graphs 2026-07-06T02:06:34,065 copying build/lib/spock/utils/graphs/graphs.py -> build/bdist.linux-armv7l/wheel/./spock/utils/graphs 2026-07-06T02:06:34,066 running install_egg_info 2026-07-06T02:06:34,076 Copying dock.egg-info to build/bdist.linux-armv7l/wheel/./dock-0.1.0-py3.11.egg-info 2026-07-06T02:06:34,086 running install_scripts 2026-07-06T02:06:34,097 creating build/bdist.linux-armv7l/wheel/dock-0.1.0.dist-info/WHEEL 2026-07-06T02:06:34,100 creating '/tmp/pip-wheel-z0ed1z2x/.tmp-e53yf4fr/dock-0.1.0-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-07-06T02:06:34,103 adding 'dock-0.1.0.dist-info/licenses/LICENSE' 2026-07-06T02:06:34,104 adding 'spock/__init__.py' 2026-07-06T02:06:34,106 adding 'spock/_version.py' 2026-07-06T02:06:34,107 adding 'spock/config.py' 2026-07-06T02:06:34,109 adding 'spock/docking/__init__.py' 2026-07-06T02:06:34,110 adding 'spock/docking/base.py' 2026-07-06T02:06:34,112 adding 'spock/docking/vina/__init__.py' 2026-07-06T02:06:34,114 adding 'spock/docking/vina/base.py' 2026-07-06T02:06:34,115 adding 'spock/docking/vina/cpu.py' 2026-07-06T02:06:34,117 adding 'spock/docking/vina/cpu_local.py' 2026-07-06T02:06:34,119 adding 'spock/docking/vina/gpu.py' 2026-07-06T02:06:34,120 adding 'spock/docking/vina/tests.py' 2026-07-06T02:06:34,121 adding 'spock/docking/vina/utils.py' 2026-07-06T02:06:34,243 adding 'spock/docking/vina/test_files/5T1A_clean_mutations_reversed_withHs.pdb' 2026-07-06T02:06:34,290 adding 'spock/docking/vina/test_files/5T1A_clean_mutations_reversed_withHs.pdbqt' 2026-07-06T02:06:34,293 adding 'spock/gnn/__init__.py' 2026-07-06T02:06:34,294 adding 'spock/gnn/conf.yaml' 2026-07-06T02:06:34,296 adding 'spock/gnn/config.py' 2026-07-06T02:06:34,299 adding 'spock/gnn/models.py' 2026-07-06T02:06:34,300 adding 'spock/gnn/data/__init__.py' 2026-07-06T02:06:34,302 adding 'spock/gnn/data/dataset.py' 2026-07-06T02:06:34,304 adding 'spock/gnn/data/storage.py' 2026-07-06T02:06:34,306 adding 'spock/gnn/data/utils.py' 2026-07-06T02:06:34,307 adding 'spock/gnn/gui/__init__.py' 2026-07-06T02:06:34,309 adding 'spock/graphs/__init__.py' 2026-07-06T02:06:34,311 adding 'spock/graphs/featurizers.py' 2026-07-06T02:06:34,314 adding 'spock/graphs/graphs.py' 2026-07-06T02:06:34,316 adding 'spock/gui/__init__.py' 2026-07-06T02:06:34,317 adding 'spock/gui/addon.py' 2026-07-06T02:06:34,318 adding 'spock/gui/config.py' 2026-07-06T02:06:34,319 adding 'spock/gui/launcher.py' 2026-07-06T02:06:34,321 adding 'spock/gui/data/__init__.py' 2026-07-06T02:06:34,322 adding 'spock/gui/data/molecules.py' 2026-07-06T02:06:34,325 adding 'spock/gui/data/proteins.py' 2026-07-06T02:06:34,327 adding 'spock/gui/data/storage.py' 2026-07-06T02:06:34,328 adding 'spock/gui/data/tables.py' 2026-07-06T02:06:34,331 adding 'spock/gui/data/assets/pinned_13248986832.pdbqt' 2026-07-06T02:06:34,332 adding 'spock/gui/data/assets/pinned_13249040720.pdbqt' 2026-07-06T02:06:34,334 adding 'spock/gui/data/assets/pinned_13249087440.pdbqt' 2026-07-06T02:06:34,336 adding 'spock/gui/data/assets/pinned_13249388880.pdbqt' 2026-07-06T02:06:34,338 adding 'spock/gui/data/assets/pinned_13249389456.pdbqt' 2026-07-06T02:06:34,339 adding 'spock/gui/data/assets/pinned_13420331856.pdbqt' 2026-07-06T02:06:34,342 adding 'spock/gui/data/assets/pinned_13420442384.pdbqt' 2026-07-06T02:06:34,343 adding 'spock/gui/data/assets/temp.pdbqt' 2026-07-06T02:06:34,345 adding 'spock/gui/data/assets/temp.png' 2026-07-06T02:06:34,346 adding 'spock/gui/data/assets/temp_pose.pdbqt' 2026-07-06T02:06:34,347 adding 'spock/gui/gui/__init__.py' 2026-07-06T02:06:34,349 adding 'spock/gui/gui/elements.py' 2026-07-06T02:06:34,351 adding 'spock/gui/gui/main.py' 2026-07-06T02:06:34,352 adding 'spock/gui/gui/multithreading.py' 2026-07-06T02:06:34,354 adding 'spock/gui/gui/plotting.py' 2026-07-06T02:06:34,355 adding 'spock/gui/gui/styles.py' 2026-07-06T02:06:34,356 adding 'spock/gui/gui/utils.py' 2026-07-06T02:06:34,372 adding 'spock/gui/gui/widgets.py' 2026-07-06T02:06:34,375 adding 'spock/gui/utils/__init__.py' 2026-07-06T02:06:34,377 adding 'spock/gui/utils/docking.py' 2026-07-06T02:06:34,378 adding 'spock/gui/utils/pdbqt_utils.py' 2026-07-06T02:06:34,380 adding 'spock/gui/utils/plip_contacts.py' 2026-07-06T02:06:34,382 adding 'spock/gui/utils/pymol.py' 2026-07-06T02:06:34,384 adding 'spock/gui/utils/show_contacts.py' 2026-07-06T02:06:34,386 adding 'spock/ml/__init__.py' 2026-07-06T02:06:34,387 adding 'spock/ml/descriptors.py' 2026-07-06T02:06:34,388 adding 'spock/ml/tests.py' 2026-07-06T02:06:34,390 adding 'spock/parallel/__init__.py' 2026-07-06T02:06:34,391 adding 'spock/parallel/dataframes.py' 2026-07-06T02:06:34,392 adding 'spock/parallel/dock.py' 2026-07-06T02:06:34,393 adding 'spock/parallel/iterators.py' 2026-07-06T02:06:34,395 adding 'spock/parallel/prep.py' 2026-07-06T02:06:34,396 adding 'spock/prep/__init__.py' 2026-07-06T02:06:34,397 adding 'spock/prep/base.py' 2026-07-06T02:06:34,399 adding 'spock/prep/dimorphite.py' 2026-07-06T02:06:34,400 adding 'spock/prep/ligprep.py' 2026-07-06T02:06:34,402 adding 'spock/storage/__init__.py' 2026-07-06T02:06:34,403 adding 'spock/storage/base.py' 2026-07-06T02:06:34,406 adding 'spock/storage/tabular.py' 2026-07-06T02:06:34,407 adding 'spock/storage/tests/__init__.py' 2026-07-06T02:06:34,409 adding 'spock/storage/tests/tests.py' 2026-07-06T02:06:34,410 adding 'spock/storage/tests/utils.py' 2026-07-06T02:06:34,411 adding 'spock/storage/tests/test_files/example_smiles.csv' 2026-07-06T02:06:34,413 adding 'spock/utils/__init__.py' 2026-07-06T02:06:34,414 adding 'spock/utils/compress.py' 2026-07-06T02:06:34,415 adding 'spock/utils/dataframes.py' 2026-07-06T02:06:34,416 adding 'spock/utils/exec.py' 2026-07-06T02:06:34,418 adding 'spock/utils/loaders.py' 2026-07-06T02:06:34,419 adding 'spock/utils/containers/__init__.py' 2026-07-06T02:06:34,420 adding 'spock/utils/containers/containers.py' 2026-07-06T02:06:34,422 adding 'spock/utils/formats/__init__.py' 2026-07-06T02:06:34,423 adding 'spock/utils/formats/mol.py' 2026-07-06T02:06:34,424 adding 'spock/utils/formats/pdb.py' 2026-07-06T02:06:34,426 adding 'spock/utils/formats/sdf.py' 2026-07-06T02:06:34,427 adding 'spock/utils/graphs/__init__.py' 2026-07-06T02:06:34,428 adding 'spock/utils/graphs/featurizers.py' 2026-07-06T02:06:34,430 adding 'spock/utils/graphs/graphs.py' 2026-07-06T02:06:34,431 adding 'spock/utils/logs/__init__.py' 2026-07-06T02:06:34,432 adding 'spock/utils/logs/logs.py' 2026-07-06T02:06:34,434 adding 'dock-0.1.0.dist-info/METADATA' 2026-07-06T02:06:34,435 adding 'dock-0.1.0.dist-info/WHEEL' 2026-07-06T02:06:34,436 adding 'dock-0.1.0.dist-info/entry_points.txt' 2026-07-06T02:06:34,437 adding 'dock-0.1.0.dist-info/top_level.txt' 2026-07-06T02:06:34,438 adding 'dock-0.1.0.dist-info/RECORD' 2026-07-06T02:06:34,444 removing build/bdist.linux-armv7l/wheel 2026-07-06T02:06:34,583 Building wheel for dock (pyproject.toml): finished with status 'done' 2026-07-06T02:06:34,597 Created wheel for dock: filename=dock-0.1.0-py3-none-any.whl size=384370 sha256=33c1af177aea8a00f230d0026ad87335b3399735990aa8f1cb47f011ea2384aa 2026-07-06T02:06:34,598 Stored in directory: /tmp/pip-ephem-wheel-cache-0lq9u713/wheels/bb/3a/58/1258bb63a948cf8c9e14b6befefa84a1fda2f8b4548c525085 2026-07-06T02:06:34,614 Successfully built dock 2026-07-06T02:06:34,628 Removed build tracker: '/tmp/pip-build-tracker-3wla2mvr'