2021-07-29T18:02:26,263 Created temporary directory: /tmp/pip-ephem-wheel-cache-bccxumht 2021-07-29T18:02:26,266 Created temporary directory: /tmp/pip-req-tracker-_1jb3gio 2021-07-29T18:02:26,267 Initialized build tracking at /tmp/pip-req-tracker-_1jb3gio 2021-07-29T18:02:26,267 Created build tracker: /tmp/pip-req-tracker-_1jb3gio 2021-07-29T18:02:26,267 Entered build tracker: /tmp/pip-req-tracker-_1jb3gio 2021-07-29T18:02:26,268 Created temporary directory: /tmp/pip-wheel-a694zaxu 2021-07-29T18:02:26,300 WARNING: The index url "/" seems invalid, please provide a scheme. 2021-07-29T18:02:26,301 WARNING: The index url "t" seems invalid, please provide a scheme. 2021-07-29T18:02:26,301 WARNING: The index url "m" seems invalid, please provide a scheme. 2021-07-29T18:02:26,301 WARNING: The index url "p" seems invalid, please provide a scheme. 2021-07-29T18:02:26,302 Looking in indexes: https://pypi.org/simple, /, t, m, p 2021-07-29T18:02:26,304 WARNING: Location '/adaptivepele/' is ignored: it is either a non-existing path or lacks a specific scheme. 2021-07-29T18:02:26,305 WARNING: Location 't/adaptivepele/' is ignored: it is either a non-existing path or lacks a specific scheme. 2021-07-29T18:02:26,305 WARNING: Location 'm/adaptivepele/' is ignored: it is either a non-existing path or lacks a specific scheme. 2021-07-29T18:02:26,305 WARNING: Location 'p/adaptivepele/' is ignored: it is either a non-existing path or lacks a specific scheme. 2021-07-29T18:02:26,306 1 location(s) to search for versions of adaptivepele: 2021-07-29T18:02:26,306 * https://pypi.org/simple/adaptivepele/ 2021-07-29T18:02:26,306 Fetching project page and analyzing links: https://pypi.org/simple/adaptivepele/ 2021-07-29T18:02:26,306 Getting page https://pypi.org/simple/adaptivepele/ 2021-07-29T18:02:26,308 Found index url https://pypi.org/simple 2021-07-29T18:02:26,399 Found link https://files.pythonhosted.org/packages/33/ee/476a691d254663e61362e5c2754180ff0b92980e6db1afc829265f001706/AdaptivePELE-1.5.1.tar.gz#sha256=5f96081e47a08fa4040ba21a477ba77d590f7feba4980aef9468305fe9f5f282 (from https://pypi.org/simple/adaptivepele/), version: 1.5.1 2021-07-29T18:02:26,399 Found link https://files.pythonhosted.org/packages/d9/82/be65cbae39642401f6e6923e5511fd466d107920ee9673bb84581a243a4e/AdaptivePELE-1.5.2.tar.gz#sha256=7df75c5c57821492d1ba86e44d41b65e6a9105afe6048e85e993741579683848 (from https://pypi.org/simple/adaptivepele/), version: 1.5.2 2021-07-29T18:02:26,399 Found link https://files.pythonhosted.org/packages/48/3b/f12bfdcfd7f0fdcb2f58d659ff94c26666767eec4ca8454750a3241c395e/AdaptivePELE-1.6.tar.gz#sha256=afc51a35222361e6c0caf880e1d52e91b5658dbe4740f82a3460a97ebaa48bf5 (from https://pypi.org/simple/adaptivepele/), version: 1.6 2021-07-29T18:02:26,400 Found link https://files.pythonhosted.org/packages/d0/1b/f731952d133f4a684ae4376f67513af80d1f759b9ef4d6137767e0fc8ed9/AdaptivePELE-1.6.2.tar.gz#sha256=01891c877f6615a876c61c6bf1d68930d4af63750eb3f1a4e7e23ff0f962bbd5 (from https://pypi.org/simple/adaptivepele/), version: 1.6.2 2021-07-29T18:02:26,400 Found link https://files.pythonhosted.org/packages/25/2c/65b787dc210294855b8f27abeb4a7761f25fce34e0b8bfd56779c679440d/AdaptivePELE-1.6.3.tar.gz#sha256=34be232bc04bde2dcc4ebd900dd9c71e6f25eed93b7c875463c07d3dd8ce1aa9 (from https://pypi.org/simple/adaptivepele/), version: 1.6.3 2021-07-29T18:02:26,400 Found link https://files.pythonhosted.org/packages/2b/34/d4545814438fa2992d83f5be0389f6465ab3e542ada0c02f90dbc4cc5695/AdaptivePELE-1.7.tar.gz#sha256=21d8643eb2fbf9ffe733a996fa8851cd569d9ca6f77f303211813eeb856bc5eb (from https://pypi.org/simple/adaptivepele/), version: 1.7 2021-07-29T18:02:26,400 Found link https://files.pythonhosted.org/packages/21/7d/8c8eb27cbe21dfcfbf80d5f16c889ee2d5bf0eec8dd8bcd03567d06bef98/AdaptivePELE-1.7.1.tar.gz#sha256=4d6c1a5eecbc779828f162541ee7e308190152c4a871569d66fb3f7ab0673155 (from https://pypi.org/simple/adaptivepele/), version: 1.7.1 2021-07-29T18:02:26,401 Skipping link: not a file: https://pypi.org/simple/adaptivepele/ 2021-07-29T18:02:26,419 Given no hashes to check 1 links for project 'adaptivepele': discarding no candidates 2021-07-29T18:02:26,437 Collecting adaptivepele==1.7.1 2021-07-29T18:02:26,438 Created temporary directory: /tmp/pip-unpack-mkxkudcl 2021-07-29T18:02:26,482 Downloading AdaptivePELE-1.7.1.tar.gz (3.0 MB) 2021-07-29T18:02:27,768 Added adaptivepele==1.7.1 from https://files.pythonhosted.org/packages/21/7d/8c8eb27cbe21dfcfbf80d5f16c889ee2d5bf0eec8dd8bcd03567d06bef98/AdaptivePELE-1.7.1.tar.gz#sha256=4d6c1a5eecbc779828f162541ee7e308190152c4a871569d66fb3f7ab0673155 to build tracker '/tmp/pip-req-tracker-_1jb3gio' 2021-07-29T18:02:27,769 Running setup.py (path:/tmp/pip-wheel-a694zaxu/adaptivepele_befe1afaf6eb40758acaae5afef55975/setup.py) egg_info for package adaptivepele 2021-07-29T18:02:27,770 Created temporary directory: /tmp/pip-pip-egg-info-fccchybl 2021-07-29T18:02:27,770 Running command python setup.py egg_info 2021-07-29T18:02:28,916 Warning: 'classifiers' should be a list, got type 'tuple' 2021-07-29T18:02:29,035 running egg_info 2021-07-29T18:02:29,037 creating /tmp/pip-pip-egg-info-fccchybl/AdaptivePELE.egg-info 2021-07-29T18:02:29,038 writing /tmp/pip-pip-egg-info-fccchybl/AdaptivePELE.egg-info/PKG-INFO 2021-07-29T18:02:29,041 writing dependency_links to /tmp/pip-pip-egg-info-fccchybl/AdaptivePELE.egg-info/dependency_links.txt 2021-07-29T18:02:29,043 writing requirements to /tmp/pip-pip-egg-info-fccchybl/AdaptivePELE.egg-info/requires.txt 2021-07-29T18:02:29,044 writing top-level names to /tmp/pip-pip-egg-info-fccchybl/AdaptivePELE.egg-info/top_level.txt 2021-07-29T18:02:29,046 writing manifest file '/tmp/pip-pip-egg-info-fccchybl/AdaptivePELE.egg-info/SOURCES.txt' 2021-07-29T18:02:29,207 reading manifest file '/tmp/pip-pip-egg-info-fccchybl/AdaptivePELE.egg-info/SOURCES.txt' 2021-07-29T18:02:29,209 reading manifest template 'MANIFEST.in' 2021-07-29T18:02:29,249 writing manifest file '/tmp/pip-pip-egg-info-fccchybl/AdaptivePELE.egg-info/SOURCES.txt' 2021-07-29T18:02:29,355 Source in /tmp/pip-wheel-a694zaxu/adaptivepele_befe1afaf6eb40758acaae5afef55975 has version 1.7.1, which satisfies requirement adaptivepele==1.7.1 from https://files.pythonhosted.org/packages/21/7d/8c8eb27cbe21dfcfbf80d5f16c889ee2d5bf0eec8dd8bcd03567d06bef98/AdaptivePELE-1.7.1.tar.gz#sha256=4d6c1a5eecbc779828f162541ee7e308190152c4a871569d66fb3f7ab0673155 2021-07-29T18:02:29,356 Removed adaptivepele==1.7.1 from https://files.pythonhosted.org/packages/21/7d/8c8eb27cbe21dfcfbf80d5f16c889ee2d5bf0eec8dd8bcd03567d06bef98/AdaptivePELE-1.7.1.tar.gz#sha256=4d6c1a5eecbc779828f162541ee7e308190152c4a871569d66fb3f7ab0673155 from build tracker '/tmp/pip-req-tracker-_1jb3gio' 2021-07-29T18:02:29,360 Created temporary directory: /tmp/pip-unpack-6dpho19f 2021-07-29T18:02:29,360 Building wheels for collected packages: adaptivepele 2021-07-29T18:02:29,365 Created temporary directory: /tmp/pip-wheel-ecn6myo5 2021-07-29T18:02:29,365 Building wheel for adaptivepele (setup.py): started 2021-07-29T18:02:29,365 Destination directory: /tmp/pip-wheel-ecn6myo5 2021-07-29T18:02:29,366 Running command /usr/bin/python3 -u -c 'import io, os, sys, setuptools, tokenize; sys.argv[0] = '"'"'/tmp/pip-wheel-a694zaxu/adaptivepele_befe1afaf6eb40758acaae5afef55975/setup.py'"'"'; __file__='"'"'/tmp/pip-wheel-a694zaxu/adaptivepele_befe1afaf6eb40758acaae5afef55975/setup.py'"'"';f = getattr(tokenize, '"'"'open'"'"', open)(__file__) if os.path.exists(__file__) else io.StringIO('"'"'from setuptools import setup; setup()'"'"');code = f.read().replace('"'"'\r\n'"'"', '"'"'\n'"'"');f.close();exec(compile(code, __file__, '"'"'exec'"'"'))' bdist_wheel -d /tmp/pip-wheel-ecn6myo5 2021-07-29T18:02:30,502 Warning: 'classifiers' should be a list, got type 'tuple' 2021-07-29T18:02:30,637 running bdist_wheel 2021-07-29T18:02:30,642 running build 2021-07-29T18:02:30,642 running build_py 2021-07-29T18:02:30,776 creating build 2021-07-29T18:02:30,776 creating build/lib.linux-armv7l-3.9 2021-07-29T18:02:30,777 creating build/lib.linux-armv7l-3.9/AdaptivePELE 2021-07-29T18:02:30,778 copying AdaptivePELE/runAllTests.py -> build/lib.linux-armv7l-3.9/AdaptivePELE 2021-07-29T18:02:30,780 copying AdaptivePELE/automateRoundsAdaptive.py -> build/lib.linux-armv7l-3.9/AdaptivePELE 2021-07-29T18:02:30,782 copying AdaptivePELE/adaptiveSampling.py -> build/lib.linux-armv7l-3.9/AdaptivePELE 2021-07-29T18:02:30,784 copying AdaptivePELE/__init__.py -> build/lib.linux-armv7l-3.9/AdaptivePELE 2021-07-29T18:02:30,786 copying AdaptivePELE/makeRelease.py -> build/lib.linux-armv7l-3.9/AdaptivePELE 2021-07-29T18:02:30,789 creating build/lib.linux-armv7l-3.9/AdaptivePELE/constants 2021-07-29T18:02:30,790 copying AdaptivePELE/constants/__init__.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/constants 2021-07-29T18:02:30,791 copying AdaptivePELE/constants/blockNames.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/constants 2021-07-29T18:02:30,793 copying AdaptivePELE/constants/buildEnvironments.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/constants 2021-07-29T18:02:30,795 copying AdaptivePELE/constants/symmetries.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/constants 2021-07-29T18:02:30,797 copying AdaptivePELE/constants/constants.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/constants 2021-07-29T18:02:30,800 creating build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,801 copying AdaptivePELE/freeEnergies/ownBuildMSM.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,803 copying AdaptivePELE/freeEnergies/writeExtractedCoordsAsPDB.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,805 copying AdaptivePELE/freeEnergies/extendTrajectories.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,808 copying AdaptivePELE/freeEnergies/prepareMSMFolders.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,809 copying AdaptivePELE/freeEnergies/__init__.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,811 copying AdaptivePELE/freeEnergies/estimateDGAdaptive.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,813 copying AdaptivePELE/freeEnergies/utilitiesFreeEnergies.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,815 copying AdaptivePELE/freeEnergies/runMarkovChainModel.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,817 copying AdaptivePELE/freeEnergies/calculateAdaptiveDGiterations.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,819 copying AdaptivePELE/freeEnergies/getRepresentativeStructures.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,821 copying AdaptivePELE/freeEnergies/calculateDGiterations.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,824 copying AdaptivePELE/freeEnergies/computeDGGrid.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,826 copying AdaptivePELE/freeEnergies/extractCoords.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,829 copying AdaptivePELE/freeEnergies/estimateDG.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,831 copying AdaptivePELE/freeEnergies/estimate.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,834 copying AdaptivePELE/freeEnergies/checkDetailedBalance.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,836 copying AdaptivePELE/freeEnergies/cluster.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,838 copying AdaptivePELE/freeEnergies/computeDeltaG.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:02:30,842 creating build/lib.linux-armv7l-3.9/AdaptivePELE/tests 2021-07-29T18:02:30,843 copying AdaptivePELE/tests/testAdaptiveSampling.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/tests 2021-07-29T18:02:30,846 copying AdaptivePELE/tests/testClustering.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/tests 2021-07-29T18:02:30,848 copying AdaptivePELE/tests/testSpawning.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/tests 2021-07-29T18:02:30,850 copying AdaptivePELE/tests/testAtomset.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/tests 2021-07-29T18:02:30,854 copying AdaptivePELE/tests/__init__.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/tests 2021-07-29T18:02:30,855 copying AdaptivePELE/tests/testMD.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/tests 2021-07-29T18:02:30,857 copying AdaptivePELE/tests/testDensityCalculator.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/tests 2021-07-29T18:02:30,859 copying AdaptivePELE/tests/testThresholdcalculator.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/tests 2021-07-29T18:02:30,861 copying AdaptivePELE/tests/testMD_CUDA.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/tests 2021-07-29T18:02:30,863 copying AdaptivePELE/tests/testReporter.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/tests 2021-07-29T18:02:30,866 creating build/lib.linux-armv7l-3.9/AdaptivePELE/clustering 2021-07-29T18:02:30,867 copying AdaptivePELE/clustering/clusteringTypes.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/clustering 2021-07-29T18:02:30,869 copying AdaptivePELE/clustering/__init__.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/clustering 2021-07-29T18:02:30,870 copying AdaptivePELE/clustering/thresholdcalculator.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/clustering 2021-07-29T18:02:30,873 copying AdaptivePELE/clustering/clustering.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/clustering 2021-07-29T18:02:30,878 copying AdaptivePELE/clustering/thresholdcalculatortypes.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/clustering 2021-07-29T18:02:30,881 creating build/lib.linux-armv7l-3.9/AdaptivePELE/atomset 2021-07-29T18:02:30,882 copying AdaptivePELE/atomset/setup.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/atomset 2021-07-29T18:02:30,884 copying AdaptivePELE/atomset/__init__.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/atomset 2021-07-29T18:02:30,886 creating build/lib.linux-armv7l-3.9/AdaptivePELE/simulation 2021-07-29T18:02:30,888 copying AdaptivePELE/simulation/openmm_simulations.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/simulation 2021-07-29T18:02:30,891 copying AdaptivePELE/simulation/__init__.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/simulation 2021-07-29T18:02:30,893 copying AdaptivePELE/simulation/simulationTypes.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/simulation 2021-07-29T18:02:30,895 copying AdaptivePELE/simulation/simulationrunner.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/simulation 2021-07-29T18:02:30,900 creating build/lib.linux-armv7l-3.9/AdaptivePELE/utilities 2021-07-29T18:02:30,901 copying AdaptivePELE/utilities/conda_deployment.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/utilities 2021-07-29T18:02:30,904 copying AdaptivePELE/utilities/clusteringUtilities.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/utilities 2021-07-29T18:02:30,905 copying AdaptivePELE/utilities/utilities.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/utilities 2021-07-29T18:02:30,909 copying AdaptivePELE/utilities/__init__.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/utilities 2021-07-29T18:02:30,910 copying AdaptivePELE/utilities/generate_topology_object.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/utilities 2021-07-29T18:02:30,912 copying AdaptivePELE/utilities/PDBLoader.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/utilities 2021-07-29T18:02:30,915 copying AdaptivePELE/utilities/synchronization.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/utilities 2021-07-29T18:02:30,919 creating build/lib.linux-armv7l-3.9/AdaptivePELE/validator 2021-07-29T18:02:30,920 copying AdaptivePELE/validator/__init__.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/validator 2021-07-29T18:02:30,921 copying AdaptivePELE/validator/controlFileValidator.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/validator 2021-07-29T18:02:30,924 copying AdaptivePELE/validator/validatorBlockNames.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/validator 2021-07-29T18:02:30,929 creating build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,930 copying AdaptivePELE/analysis/calculateSASAvalues.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,933 copying AdaptivePELE/analysis/plotSpawningClusters.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,935 copying AdaptivePELE/analysis/clusters_lagtime_grid.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,937 copying AdaptivePELE/analysis/crossValidationClustering.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,939 copying AdaptivePELE/analysis/convertTrajectory.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,941 copying AdaptivePELE/analysis/interactivePlot.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,943 copying AdaptivePELE/analysis/calculateDistances.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,946 copying AdaptivePELE/analysis/writeClusteringStructures.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,948 copying AdaptivePELE/analysis/pathwayRMSD.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,949 copying AdaptivePELE/analysis/plotAdaptive.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,952 copying AdaptivePELE/analysis/analyse.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,954 copying AdaptivePELE/analysis/plot3DNetwork.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,956 copying AdaptivePELE/analysis/compareClustering.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,959 copying AdaptivePELE/analysis/generateBox.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,961 copying AdaptivePELE/analysis/simulationToCsv.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,963 copying AdaptivePELE/analysis/writeTrajToSnapshot.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,965 copying AdaptivePELE/analysis/bestStructs.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,968 copying AdaptivePELE/analysis/analysis_utils.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,969 copying AdaptivePELE/analysis/extract_ligand_traj.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,971 copying AdaptivePELE/analysis/__init__.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,973 copying AdaptivePELE/analysis/findfirstbindingevent.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,975 copying AdaptivePELE/analysis/count_clusters.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,977 copying AdaptivePELE/analysis/analyseClustering.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,980 copying AdaptivePELE/analysis/backtrackAdaptiveTrajectory.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,982 copying AdaptivePELE/analysis/numberOfClusters.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,985 copying AdaptivePELE/analysis/correctRMSD.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,987 copying AdaptivePELE/analysis/foldersFirstBindingEvent.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,989 copying AdaptivePELE/analysis/filter_by_radius.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,991 copying AdaptivePELE/analysis/clusterAdaptiveRun.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,994 copying AdaptivePELE/analysis/networkCM.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,996 copying AdaptivePELE/analysis/writeNetworkFiles.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:30,998 copying AdaptivePELE/analysis/standarize_MD_energies.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,000 copying AdaptivePELE/analysis/histCM.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,002 copying AdaptivePELE/analysis/plotRMSF.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,004 copying AdaptivePELE/analysis/dehidratate_and_align.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,006 copying AdaptivePELE/analysis/splitTrajectory.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,008 copying AdaptivePELE/analysis/trajectory_processing.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,010 copying AdaptivePELE/analysis/makePNGs.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,012 copying AdaptivePELE/analysis/unbinding.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,014 copying AdaptivePELE/analysis/simple_postprocessing.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,016 copying AdaptivePELE/analysis/cluster.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,018 copying AdaptivePELE/analysis/identifyClusterSnapshot.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,020 copying AdaptivePELE/analysis/reportSimulation.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,022 copying AdaptivePELE/analysis/addRejectedSteps.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,024 copying AdaptivePELE/analysis/selectOnPlot.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,027 copying AdaptivePELE/analysis/autoCorrelation.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/analysis 2021-07-29T18:02:31,030 creating build/lib.linux-armv7l-3.9/AdaptivePELE/spawning 2021-07-29T18:02:31,031 copying AdaptivePELE/spawning/densitycalculatortypes.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/spawning 2021-07-29T18:02:31,033 copying AdaptivePELE/spawning/__init__.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/spawning 2021-07-29T18:02:31,034 copying AdaptivePELE/spawning/spawningTypes.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/spawning 2021-07-29T18:02:31,036 copying AdaptivePELE/spawning/spawning.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/spawning 2021-07-29T18:02:31,040 copying AdaptivePELE/spawning/densitycalculator.py -> build/lib.linux-armv7l-3.9/AdaptivePELE/spawning 2021-07-29T18:02:31,054 running build_ext 2021-07-29T18:02:31,059 cythoning AdaptivePELE/atomset/atomset.pyx to AdaptivePELE/atomset/atomset.c 2021-07-29T18:02:31,677 /usr/local/lib/python3.9/dist-packages/Cython/Compiler/Main.py:369: FutureWarning: Cython directive 'language_level' not set, using 2 for now (Py2). This will change in a later release! File: /tmp/pip-wheel-a694zaxu/adaptivepele_befe1afaf6eb40758acaae5afef55975/AdaptivePELE/atomset/atomset.pxd 2021-07-29T18:02:31,677 tree = Parsing.p_module(s, pxd, full_module_name) 2021-07-29T18:02:36,421 skipping 'AdaptivePELE/atomset/SymmetryContactMapEvaluator.c' Cython extension (up-to-date) 2021-07-29T18:02:36,422 skipping 'AdaptivePELE/atomset/RMSDCalculator.c' Cython extension (up-to-date) 2021-07-29T18:02:36,423 skipping 'AdaptivePELE/freeEnergies/utils.c' Cython extension (up-to-date) 2021-07-29T18:02:36,423 building 'AdaptivePELE.atomset.atomset' extension 2021-07-29T18:02:36,424 creating build/temp.linux-armv7l-3.9 2021-07-29T18:02:36,424 creating build/temp.linux-armv7l-3.9/AdaptivePELE 2021-07-29T18:02:36,425 creating build/temp.linux-armv7l-3.9/AdaptivePELE/atomset 2021-07-29T18:02:36,425 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -IAdaptivePELE -IAdaptivePELE/atomset -I/usr/local/lib/python3.9/dist-packages/numpy/core/include -I/usr/include/python3.9 -c AdaptivePELE/atomset/atomset.c -o build/temp.linux-armv7l-3.9/AdaptivePELE/atomset/atomset.o 2021-07-29T18:02:36,875 In file included from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, 2021-07-29T18:02:36,875 from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2021-07-29T18:02:36,876 from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/arrayobject.h:4, 2021-07-29T18:02:36,876 from AdaptivePELE/atomset/atomset.c:612: 2021-07-29T18:02:36,876 /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2021-07-29T18:02:36,876 17 | #warning "Using deprecated NumPy API, disable it with " \ 2021-07-29T18:02:36,876 | ^~~~~~~ 2021-07-29T18:03:08,029 arm-linux-gnueabihf-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,-z,relro -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-3.9/AdaptivePELE/atomset/atomset.o -o build/lib.linux-armv7l-3.9/AdaptivePELE/atomset/atomset.cpython-39-arm-linux-gnueabihf.so 2021-07-29T18:03:08,271 building 'AdaptivePELE.atomset.SymmetryContactMapEvaluator' extension 2021-07-29T18:03:08,271 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -IAdaptivePELE -IAdaptivePELE/atomset -I/usr/local/lib/python3.9/dist-packages/numpy/core/include -I/usr/include/python3.9 -c AdaptivePELE/atomset/SymmetryContactMapEvaluator.c -o build/temp.linux-armv7l-3.9/AdaptivePELE/atomset/SymmetryContactMapEvaluator.o 2021-07-29T18:03:08,673 In file included from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, 2021-07-29T18:03:08,673 from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2021-07-29T18:03:08,674 from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/arrayobject.h:4, 2021-07-29T18:03:08,674 from AdaptivePELE/atomset/SymmetryContactMapEvaluator.c:610: 2021-07-29T18:03:08,674 /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2021-07-29T18:03:08,674 17 | #warning "Using deprecated NumPy API, disable it with " \ 2021-07-29T18:03:08,674 | ^~~~~~~ 2021-07-29T18:03:20,259 arm-linux-gnueabihf-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,-z,relro -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-3.9/AdaptivePELE/atomset/SymmetryContactMapEvaluator.o -o build/lib.linux-armv7l-3.9/AdaptivePELE/atomset/SymmetryContactMapEvaluator.cpython-39-arm-linux-gnueabihf.so 2021-07-29T18:03:20,413 building 'AdaptivePELE.atomset.RMSDCalculator' extension 2021-07-29T18:03:20,413 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -IAdaptivePELE -IAdaptivePELE/atomset -I/usr/local/lib/python3.9/dist-packages/numpy/core/include -I/usr/include/python3.9 -c AdaptivePELE/atomset/RMSDCalculator.c -o build/temp.linux-armv7l-3.9/AdaptivePELE/atomset/RMSDCalculator.o 2021-07-29T18:03:20,788 In file included from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, 2021-07-29T18:03:20,788 from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2021-07-29T18:03:20,788 from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/arrayobject.h:4, 2021-07-29T18:03:20,788 from AdaptivePELE/atomset/RMSDCalculator.c:610: 2021-07-29T18:03:20,789 /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2021-07-29T18:03:20,789 17 | #warning "Using deprecated NumPy API, disable it with " \ 2021-07-29T18:03:20,789 | ^~~~~~~ 2021-07-29T18:03:26,637 arm-linux-gnueabihf-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,-z,relro -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-3.9/AdaptivePELE/atomset/RMSDCalculator.o -o build/lib.linux-armv7l-3.9/AdaptivePELE/atomset/RMSDCalculator.cpython-39-arm-linux-gnueabihf.so 2021-07-29T18:03:26,767 building 'AdaptivePELE.freeEnergies.utils' extension 2021-07-29T18:03:26,768 creating build/temp.linux-armv7l-3.9/AdaptivePELE/freeEnergies 2021-07-29T18:03:26,768 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -IAdaptivePELE -IAdaptivePELE/freeEnergies -I/usr/local/lib/python3.9/dist-packages/numpy/core/include -I/usr/include/python3.9 -c AdaptivePELE/freeEnergies/utils.c -o build/temp.linux-armv7l-3.9/AdaptivePELE/freeEnergies/utils.o 2021-07-29T18:03:27,171 In file included from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, 2021-07-29T18:03:27,171 from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2021-07-29T18:03:27,171 from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/arrayobject.h:4, 2021-07-29T18:03:27,172 from AdaptivePELE/freeEnergies/utils.c:610: 2021-07-29T18:03:27,172 /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2021-07-29T18:03:27,172 17 | #warning "Using deprecated NumPy API, disable it with " \ 2021-07-29T18:03:27,172 | ^~~~~~~ 2021-07-29T18:03:42,438 arm-linux-gnueabihf-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,-z,relro -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-3.9/AdaptivePELE/freeEnergies/utils.o -o build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/utils.cpython-39-arm-linux-gnueabihf.so 2021-07-29T18:03:42,636 installing to build/bdist.linux-armv7l/wheel 2021-07-29T18:03:42,637 running install 2021-07-29T18:03:42,638 running install_lib 2021-07-29T18:03:42,645 creating build/bdist.linux-armv7l 2021-07-29T18:03:42,645 creating build/bdist.linux-armv7l/wheel 2021-07-29T18:03:42,647 creating build/bdist.linux-armv7l/wheel/AdaptivePELE 2021-07-29T18:03:42,649 copying build/lib.linux-armv7l-3.9/AdaptivePELE/runAllTests.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE 2021-07-29T18:03:42,653 creating build/bdist.linux-armv7l/wheel/AdaptivePELE/constants 2021-07-29T18:03:42,653 copying build/lib.linux-armv7l-3.9/AdaptivePELE/constants/__init__.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/constants 2021-07-29T18:03:42,656 copying build/lib.linux-armv7l-3.9/AdaptivePELE/constants/blockNames.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/constants 2021-07-29T18:03:42,658 copying build/lib.linux-armv7l-3.9/AdaptivePELE/constants/buildEnvironments.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/constants 2021-07-29T18:03:42,660 copying build/lib.linux-armv7l-3.9/AdaptivePELE/constants/symmetries.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/constants 2021-07-29T18:03:42,662 copying build/lib.linux-armv7l-3.9/AdaptivePELE/constants/constants.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/constants 2021-07-29T18:03:42,665 copying build/lib.linux-armv7l-3.9/AdaptivePELE/automateRoundsAdaptive.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE 2021-07-29T18:03:42,668 creating build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,669 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/ownBuildMSM.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,671 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/writeExtractedCoordsAsPDB.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,673 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/extendTrajectories.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,676 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/prepareMSMFolders.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,678 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/__init__.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,680 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/estimateDGAdaptive.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,682 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/utilitiesFreeEnergies.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,684 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/runMarkovChainModel.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,687 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/calculateAdaptiveDGiterations.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,689 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/getRepresentativeStructures.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,691 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/calculateDGiterations.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,693 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/computeDGGrid.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,696 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/extractCoords.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,699 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/utils.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,731 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/estimateDG.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,733 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/estimate.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,736 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/checkDetailedBalance.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,738 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/cluster.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,741 copying build/lib.linux-armv7l-3.9/AdaptivePELE/freeEnergies/computeDeltaG.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/freeEnergies 2021-07-29T18:03:42,744 creating build/bdist.linux-armv7l/wheel/AdaptivePELE/tests 2021-07-29T18:03:42,745 copying build/lib.linux-armv7l-3.9/AdaptivePELE/tests/testAdaptiveSampling.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/tests 2021-07-29T18:03:42,748 copying build/lib.linux-armv7l-3.9/AdaptivePELE/tests/testClustering.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/tests 2021-07-29T18:03:42,751 copying build/lib.linux-armv7l-3.9/AdaptivePELE/tests/testSpawning.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/tests 2021-07-29T18:03:42,753 copying build/lib.linux-armv7l-3.9/AdaptivePELE/tests/testAtomset.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/tests 2021-07-29T18:03:42,757 copying build/lib.linux-armv7l-3.9/AdaptivePELE/tests/__init__.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/tests 2021-07-29T18:03:42,758 copying build/lib.linux-armv7l-3.9/AdaptivePELE/tests/testMD.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/tests 2021-07-29T18:03:42,760 copying build/lib.linux-armv7l-3.9/AdaptivePELE/tests/testDensityCalculator.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/tests 2021-07-29T18:03:42,763 copying build/lib.linux-armv7l-3.9/AdaptivePELE/tests/testThresholdcalculator.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/tests 2021-07-29T18:03:42,765 copying build/lib.linux-armv7l-3.9/AdaptivePELE/tests/testMD_CUDA.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/tests 2021-07-29T18:03:42,767 copying build/lib.linux-armv7l-3.9/AdaptivePELE/tests/testReporter.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/tests 2021-07-29T18:03:42,770 copying build/lib.linux-armv7l-3.9/AdaptivePELE/adaptiveSampling.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE 2021-07-29T18:03:42,774 copying build/lib.linux-armv7l-3.9/AdaptivePELE/__init__.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE 2021-07-29T18:03:42,776 copying build/lib.linux-armv7l-3.9/AdaptivePELE/makeRelease.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE 2021-07-29T18:03:42,779 creating build/bdist.linux-armv7l/wheel/AdaptivePELE/clustering 2021-07-29T18:03:42,780 copying build/lib.linux-armv7l-3.9/AdaptivePELE/clustering/clusteringTypes.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/clustering 2021-07-29T18:03:42,782 copying build/lib.linux-armv7l-3.9/AdaptivePELE/clustering/__init__.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/clustering 2021-07-29T18:03:42,784 copying build/lib.linux-armv7l-3.9/AdaptivePELE/clustering/thresholdcalculator.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/clustering 2021-07-29T18:03:42,786 copying build/lib.linux-armv7l-3.9/AdaptivePELE/clustering/clustering.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/clustering 2021-07-29T18:03:42,791 copying build/lib.linux-armv7l-3.9/AdaptivePELE/clustering/thresholdcalculatortypes.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/clustering 2021-07-29T18:03:42,794 creating build/bdist.linux-armv7l/wheel/AdaptivePELE/atomset 2021-07-29T18:03:42,795 copying build/lib.linux-armv7l-3.9/AdaptivePELE/atomset/setup.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/atomset 2021-07-29T18:03:42,797 copying build/lib.linux-armv7l-3.9/AdaptivePELE/atomset/__init__.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/atomset 2021-07-29T18:03:42,799 copying build/lib.linux-armv7l-3.9/AdaptivePELE/atomset/SymmetryContactMapEvaluator.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/AdaptivePELE/atomset 2021-07-29T18:03:42,821 copying build/lib.linux-armv7l-3.9/AdaptivePELE/atomset/RMSDCalculator.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/AdaptivePELE/atomset 2021-07-29T18:03:42,832 copying build/lib.linux-armv7l-3.9/AdaptivePELE/atomset/atomset.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/AdaptivePELE/atomset 2021-07-29T18:03:42,883 creating build/bdist.linux-armv7l/wheel/AdaptivePELE/simulation 2021-07-29T18:03:42,884 copying build/lib.linux-armv7l-3.9/AdaptivePELE/simulation/openmm_simulations.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/simulation 2021-07-29T18:03:42,887 copying build/lib.linux-armv7l-3.9/AdaptivePELE/simulation/__init__.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/simulation 2021-07-29T18:03:42,888 copying build/lib.linux-armv7l-3.9/AdaptivePELE/simulation/simulationTypes.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/simulation 2021-07-29T18:03:42,890 copying build/lib.linux-armv7l-3.9/AdaptivePELE/simulation/simulationrunner.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/simulation 2021-07-29T18:03:42,895 creating build/bdist.linux-armv7l/wheel/AdaptivePELE/utilities 2021-07-29T18:03:42,895 copying build/lib.linux-armv7l-3.9/AdaptivePELE/utilities/conda_deployment.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/utilities 2021-07-29T18:03:42,897 copying build/lib.linux-armv7l-3.9/AdaptivePELE/utilities/clusteringUtilities.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/utilities 2021-07-29T18:03:42,899 copying build/lib.linux-armv7l-3.9/AdaptivePELE/utilities/utilities.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/utilities 2021-07-29T18:03:42,902 copying build/lib.linux-armv7l-3.9/AdaptivePELE/utilities/__init__.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/utilities 2021-07-29T18:03:42,903 copying build/lib.linux-armv7l-3.9/AdaptivePELE/utilities/generate_topology_object.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/utilities 2021-07-29T18:03:42,905 copying build/lib.linux-armv7l-3.9/AdaptivePELE/utilities/PDBLoader.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/utilities 2021-07-29T18:03:42,908 copying build/lib.linux-armv7l-3.9/AdaptivePELE/utilities/synchronization.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/utilities 2021-07-29T18:03:42,911 creating build/bdist.linux-armv7l/wheel/AdaptivePELE/validator 2021-07-29T18:03:42,912 copying build/lib.linux-armv7l-3.9/AdaptivePELE/validator/__init__.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/validator 2021-07-29T18:03:42,914 copying build/lib.linux-armv7l-3.9/AdaptivePELE/validator/controlFileValidator.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/validator 2021-07-29T18:03:42,916 copying build/lib.linux-armv7l-3.9/AdaptivePELE/validator/validatorBlockNames.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/validator 2021-07-29T18:03:42,920 creating build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,921 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/calculateSASAvalues.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,924 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/plotSpawningClusters.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,926 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/clusters_lagtime_grid.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,928 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/crossValidationClustering.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,930 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/convertTrajectory.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,932 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/interactivePlot.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,935 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/calculateDistances.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,938 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/writeClusteringStructures.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,940 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/pathwayRMSD.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,942 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/plotAdaptive.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,945 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/analyse.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,947 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/plot3DNetwork.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,949 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/compareClustering.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,952 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/generateBox.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,954 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/simulationToCsv.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,956 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/writeTrajToSnapshot.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,958 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/bestStructs.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,961 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/analysis_utils.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,963 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/extract_ligand_traj.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,965 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/__init__.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,966 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/findfirstbindingevent.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,969 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/count_clusters.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,971 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/analyseClustering.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,974 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/backtrackAdaptiveTrajectory.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,976 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/numberOfClusters.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,979 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/correctRMSD.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,981 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/foldersFirstBindingEvent.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,983 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/filter_by_radius.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,986 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/clusterAdaptiveRun.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,989 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/networkCM.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,991 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/writeNetworkFiles.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,993 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/standarize_MD_energies.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,995 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/histCM.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:42,997 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/plotRMSF.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,000 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/dehidratate_and_align.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,002 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/splitTrajectory.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,005 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/trajectory_processing.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,008 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/makePNGs.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,010 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/unbinding.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,013 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/simple_postprocessing.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,015 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/cluster.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,018 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/identifyClusterSnapshot.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,021 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/reportSimulation.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,024 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/addRejectedSteps.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,026 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/selectOnPlot.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,030 copying build/lib.linux-armv7l-3.9/AdaptivePELE/analysis/autoCorrelation.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/analysis 2021-07-29T18:03:43,033 creating build/bdist.linux-armv7l/wheel/AdaptivePELE/spawning 2021-07-29T18:03:43,034 copying build/lib.linux-armv7l-3.9/AdaptivePELE/spawning/densitycalculatortypes.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/spawning 2021-07-29T18:03:43,036 copying build/lib.linux-armv7l-3.9/AdaptivePELE/spawning/__init__.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/spawning 2021-07-29T18:03:43,038 copying build/lib.linux-armv7l-3.9/AdaptivePELE/spawning/spawningTypes.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/spawning 2021-07-29T18:03:43,040 copying build/lib.linux-armv7l-3.9/AdaptivePELE/spawning/spawning.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/spawning 2021-07-29T18:03:43,044 copying build/lib.linux-armv7l-3.9/AdaptivePELE/spawning/densitycalculator.py -> build/bdist.linux-armv7l/wheel/AdaptivePELE/spawning 2021-07-29T18:03:43,046 running install_egg_info 2021-07-29T18:03:43,075 running egg_info 2021-07-29T18:03:43,076 writing AdaptivePELE.egg-info/PKG-INFO 2021-07-29T18:03:43,079 writing dependency_links to AdaptivePELE.egg-info/dependency_links.txt 2021-07-29T18:03:43,080 writing requirements to AdaptivePELE.egg-info/requires.txt 2021-07-29T18:03:43,081 writing top-level names to AdaptivePELE.egg-info/top_level.txt 2021-07-29T18:03:43,114 reading manifest file 'AdaptivePELE.egg-info/SOURCES.txt' 2021-07-29T18:03:43,120 reading manifest template 'MANIFEST.in' 2021-07-29T18:03:43,162 writing manifest file 'AdaptivePELE.egg-info/SOURCES.txt' 2021-07-29T18:03:43,165 Copying AdaptivePELE.egg-info to build/bdist.linux-armv7l/wheel/AdaptivePELE-1.7.1-py3.9.egg-info 2021-07-29T18:03:43,176 running install_scripts 2021-07-29T18:03:43,223 creating build/bdist.linux-armv7l/wheel/AdaptivePELE-1.7.1.dist-info/WHEEL 2021-07-29T18:03:43,226 creating '/tmp/pip-wheel-ecn6myo5/AdaptivePELE-1.7.1-cp39-cp39-linux_armv7l.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2021-07-29T18:03:43,228 adding 'AdaptivePELE/__init__.py' 2021-07-29T18:03:43,234 adding 'AdaptivePELE/adaptiveSampling.py' 2021-07-29T18:03:43,236 adding 'AdaptivePELE/automateRoundsAdaptive.py' 2021-07-29T18:03:43,238 adding 'AdaptivePELE/makeRelease.py' 2021-07-29T18:03:43,239 adding 'AdaptivePELE/runAllTests.py' 2021-07-29T18:03:43,242 adding 'AdaptivePELE/analysis/__init__.py' 2021-07-29T18:03:43,243 adding 'AdaptivePELE/analysis/addRejectedSteps.py' 2021-07-29T18:03:43,245 adding 'AdaptivePELE/analysis/analyse.py' 2021-07-29T18:03:43,247 adding 'AdaptivePELE/analysis/analyseClustering.py' 2021-07-29T18:03:43,248 adding 'AdaptivePELE/analysis/analysis_utils.py' 2021-07-29T18:03:43,250 adding 'AdaptivePELE/analysis/autoCorrelation.py' 2021-07-29T18:03:43,252 adding 'AdaptivePELE/analysis/backtrackAdaptiveTrajectory.py' 2021-07-29T18:03:43,254 adding 'AdaptivePELE/analysis/bestStructs.py' 2021-07-29T18:03:43,256 adding 'AdaptivePELE/analysis/calculateDistances.py' 2021-07-29T18:03:43,257 adding 'AdaptivePELE/analysis/calculateSASAvalues.py' 2021-07-29T18:03:43,259 adding 'AdaptivePELE/analysis/cluster.py' 2021-07-29T18:03:43,262 adding 'AdaptivePELE/analysis/clusterAdaptiveRun.py' 2021-07-29T18:03:43,263 adding 'AdaptivePELE/analysis/clusters_lagtime_grid.py' 2021-07-29T18:03:43,265 adding 'AdaptivePELE/analysis/compareClustering.py' 2021-07-29T18:03:43,266 adding 'AdaptivePELE/analysis/convertTrajectory.py' 2021-07-29T18:03:43,268 adding 'AdaptivePELE/analysis/correctRMSD.py' 2021-07-29T18:03:43,270 adding 'AdaptivePELE/analysis/count_clusters.py' 2021-07-29T18:03:43,271 adding 'AdaptivePELE/analysis/crossValidationClustering.py' 2021-07-29T18:03:43,273 adding 'AdaptivePELE/analysis/dehidratate_and_align.py' 2021-07-29T18:03:43,274 adding 'AdaptivePELE/analysis/extract_ligand_traj.py' 2021-07-29T18:03:43,275 adding 'AdaptivePELE/analysis/filter_by_radius.py' 2021-07-29T18:03:43,277 adding 'AdaptivePELE/analysis/findfirstbindingevent.py' 2021-07-29T18:03:43,278 adding 'AdaptivePELE/analysis/foldersFirstBindingEvent.py' 2021-07-29T18:03:43,279 adding 'AdaptivePELE/analysis/generateBox.py' 2021-07-29T18:03:43,281 adding 'AdaptivePELE/analysis/histCM.py' 2021-07-29T18:03:43,282 adding 'AdaptivePELE/analysis/identifyClusterSnapshot.py' 2021-07-29T18:03:43,285 adding 'AdaptivePELE/analysis/interactivePlot.py' 2021-07-29T18:03:43,287 adding 'AdaptivePELE/analysis/makePNGs.py' 2021-07-29T18:03:43,288 adding 'AdaptivePELE/analysis/networkCM.py' 2021-07-29T18:03:43,290 adding 'AdaptivePELE/analysis/numberOfClusters.py' 2021-07-29T18:03:43,291 adding 'AdaptivePELE/analysis/pathwayRMSD.py' 2021-07-29T18:03:43,292 adding 'AdaptivePELE/analysis/plot3DNetwork.py' 2021-07-29T18:03:43,295 adding 'AdaptivePELE/analysis/plotAdaptive.py' 2021-07-29T18:03:43,296 adding 'AdaptivePELE/analysis/plotRMSF.py' 2021-07-29T18:03:43,298 adding 'AdaptivePELE/analysis/plotSpawningClusters.py' 2021-07-29T18:03:43,299 adding 'AdaptivePELE/analysis/reportSimulation.py' 2021-07-29T18:03:43,302 adding 'AdaptivePELE/analysis/selectOnPlot.py' 2021-07-29T18:03:43,303 adding 'AdaptivePELE/analysis/simple_postprocessing.py' 2021-07-29T18:03:43,305 adding 'AdaptivePELE/analysis/simulationToCsv.py' 2021-07-29T18:03:43,306 adding 'AdaptivePELE/analysis/splitTrajectory.py' 2021-07-29T18:03:43,307 adding 'AdaptivePELE/analysis/standarize_MD_energies.py' 2021-07-29T18:03:43,309 adding 'AdaptivePELE/analysis/trajectory_processing.py' 2021-07-29T18:03:43,310 adding 'AdaptivePELE/analysis/unbinding.py' 2021-07-29T18:03:43,311 adding 'AdaptivePELE/analysis/writeClusteringStructures.py' 2021-07-29T18:03:43,313 adding 'AdaptivePELE/analysis/writeNetworkFiles.py' 2021-07-29T18:03:43,314 adding 'AdaptivePELE/analysis/writeTrajToSnapshot.py' 2021-07-29T18:03:43,398 adding 'AdaptivePELE/atomset/RMSDCalculator.cpython-39-arm-linux-gnueabihf.so' 2021-07-29T18:03:43,554 adding 'AdaptivePELE/atomset/SymmetryContactMapEvaluator.cpython-39-arm-linux-gnueabihf.so' 2021-07-29T18:03:43,561 adding 'AdaptivePELE/atomset/__init__.py' 2021-07-29T18:03:43,910 adding 'AdaptivePELE/atomset/atomset.cpython-39-arm-linux-gnueabihf.so' 2021-07-29T18:03:43,926 adding 'AdaptivePELE/atomset/setup.py' 2021-07-29T18:03:43,928 adding 'AdaptivePELE/clustering/__init__.py' 2021-07-29T18:03:43,937 adding 'AdaptivePELE/clustering/clustering.py' 2021-07-29T18:03:43,939 adding 'AdaptivePELE/clustering/clusteringTypes.py' 2021-07-29T18:03:43,940 adding 'AdaptivePELE/clustering/thresholdcalculator.py' 2021-07-29T18:03:43,942 adding 'AdaptivePELE/clustering/thresholdcalculatortypes.py' 2021-07-29T18:03:43,943 adding 'AdaptivePELE/constants/__init__.py' 2021-07-29T18:03:43,945 adding 'AdaptivePELE/constants/blockNames.py' 2021-07-29T18:03:43,946 adding 'AdaptivePELE/constants/buildEnvironments.py' 2021-07-29T18:03:43,948 adding 'AdaptivePELE/constants/constants.py' 2021-07-29T18:03:43,949 adding 'AdaptivePELE/constants/symmetries.py' 2021-07-29T18:03:43,951 adding 'AdaptivePELE/freeEnergies/__init__.py' 2021-07-29T18:03:43,953 adding 'AdaptivePELE/freeEnergies/calculateAdaptiveDGiterations.py' 2021-07-29T18:03:43,954 adding 'AdaptivePELE/freeEnergies/calculateDGiterations.py' 2021-07-29T18:03:43,956 adding 'AdaptivePELE/freeEnergies/checkDetailedBalance.py' 2021-07-29T18:03:43,957 adding 'AdaptivePELE/freeEnergies/cluster.py' 2021-07-29T18:03:43,959 adding 'AdaptivePELE/freeEnergies/computeDGGrid.py' 2021-07-29T18:03:43,962 adding 'AdaptivePELE/freeEnergies/computeDeltaG.py' 2021-07-29T18:03:43,964 adding 'AdaptivePELE/freeEnergies/estimate.py' 2021-07-29T18:03:43,966 adding 'AdaptivePELE/freeEnergies/estimateDG.py' 2021-07-29T18:03:43,967 adding 'AdaptivePELE/freeEnergies/estimateDGAdaptive.py' 2021-07-29T18:03:43,969 adding 'AdaptivePELE/freeEnergies/extendTrajectories.py' 2021-07-29T18:03:43,973 adding 'AdaptivePELE/freeEnergies/extractCoords.py' 2021-07-29T18:03:43,975 adding 'AdaptivePELE/freeEnergies/getRepresentativeStructures.py' 2021-07-29T18:03:43,977 adding 'AdaptivePELE/freeEnergies/ownBuildMSM.py' 2021-07-29T18:03:43,978 adding 'AdaptivePELE/freeEnergies/prepareMSMFolders.py' 2021-07-29T18:03:43,980 adding 'AdaptivePELE/freeEnergies/runMarkovChainModel.py' 2021-07-29T18:03:43,982 adding 'AdaptivePELE/freeEnergies/utilitiesFreeEnergies.py' 2021-07-29T18:03:44,195 adding 'AdaptivePELE/freeEnergies/utils.cpython-39-arm-linux-gnueabihf.so' 2021-07-29T18:03:44,204 adding 'AdaptivePELE/freeEnergies/writeExtractedCoordsAsPDB.py' 2021-07-29T18:03:44,206 adding 'AdaptivePELE/simulation/__init__.py' 2021-07-29T18:03:44,210 adding 'AdaptivePELE/simulation/openmm_simulations.py' 2021-07-29T18:03:44,212 adding 'AdaptivePELE/simulation/simulationTypes.py' 2021-07-29T18:03:44,221 adding 'AdaptivePELE/simulation/simulationrunner.py' 2021-07-29T18:03:44,223 adding 'AdaptivePELE/spawning/__init__.py' 2021-07-29T18:03:44,225 adding 'AdaptivePELE/spawning/densitycalculator.py' 2021-07-29T18:03:44,226 adding 'AdaptivePELE/spawning/densitycalculatortypes.py' 2021-07-29T18:03:44,233 adding 'AdaptivePELE/spawning/spawning.py' 2021-07-29T18:03:44,235 adding 'AdaptivePELE/spawning/spawningTypes.py' 2021-07-29T18:03:44,236 adding 'AdaptivePELE/tests/__init__.py' 2021-07-29T18:03:44,238 adding 'AdaptivePELE/tests/testAdaptiveSampling.py' 2021-07-29T18:03:44,241 adding 'AdaptivePELE/tests/testAtomset.py' 2021-07-29T18:03:44,242 adding 'AdaptivePELE/tests/testClustering.py' 2021-07-29T18:03:44,244 adding 'AdaptivePELE/tests/testDensityCalculator.py' 2021-07-29T18:03:44,245 adding 'AdaptivePELE/tests/testMD.py' 2021-07-29T18:03:44,246 adding 'AdaptivePELE/tests/testMD_CUDA.py' 2021-07-29T18:03:44,248 adding 'AdaptivePELE/tests/testReporter.py' 2021-07-29T18:03:44,250 adding 'AdaptivePELE/tests/testSpawning.py' 2021-07-29T18:03:44,251 adding 'AdaptivePELE/tests/testThresholdcalculator.py' 2021-07-29T18:03:44,255 adding 'AdaptivePELE/utilities/PDBLoader.py' 2021-07-29T18:03:44,257 adding 'AdaptivePELE/utilities/__init__.py' 2021-07-29T18:03:44,258 adding 'AdaptivePELE/utilities/clusteringUtilities.py' 2021-07-29T18:03:44,259 adding 'AdaptivePELE/utilities/conda_deployment.py' 2021-07-29T18:03:44,260 adding 'AdaptivePELE/utilities/generate_topology_object.py' 2021-07-29T18:03:44,262 adding 'AdaptivePELE/utilities/synchronization.py' 2021-07-29T18:03:44,267 adding 'AdaptivePELE/utilities/utilities.py' 2021-07-29T18:03:44,269 adding 'AdaptivePELE/validator/__init__.py' 2021-07-29T18:03:44,271 adding 'AdaptivePELE/validator/controlFileValidator.py' 2021-07-29T18:03:44,273 adding 'AdaptivePELE/validator/validatorBlockNames.py' 2021-07-29T18:03:44,275 adding 'AdaptivePELE-1.7.1.dist-info/METADATA' 2021-07-29T18:03:44,276 adding 'AdaptivePELE-1.7.1.dist-info/WHEEL' 2021-07-29T18:03:44,277 adding 'AdaptivePELE-1.7.1.dist-info/top_level.txt' 2021-07-29T18:03:44,279 adding 'AdaptivePELE-1.7.1.dist-info/RECORD' 2021-07-29T18:03:44,317 removing build/bdist.linux-armv7l/wheel 2021-07-29T18:03:44,624 Building wheel for adaptivepele (setup.py): finished with status 'done' 2021-07-29T18:03:44,648 Created wheel for adaptivepele: filename=AdaptivePELE-1.7.1-cp39-cp39-linux_armv7l.whl size=1711952 sha256=8ba47dab67ab6fbd1e1bd022bdee1d4de408ec335fecc88108e7a3d295f378e9 2021-07-29T18:03:44,648 Stored in directory: /tmp/pip-ephem-wheel-cache-bccxumht/wheels/64/37/2f/3bdd80bc0047b4d462fe242fe77a3cc1d4ca99a5e39222bdf6 2021-07-29T18:03:44,662 Successfully built adaptivepele 2021-07-29T18:03:44,724 Removed build tracker: '/tmp/pip-req-tracker-_1jb3gio'