2021-07-29T15:25:34,186 Created temporary directory: /tmp/pip-ephem-wheel-cache-76_lj2b9 2021-07-29T15:25:34,189 Created temporary directory: /tmp/pip-req-tracker-ij6vrwqn 2021-07-29T15:25:34,189 Initialized build tracking at /tmp/pip-req-tracker-ij6vrwqn 2021-07-29T15:25:34,190 Created build tracker: /tmp/pip-req-tracker-ij6vrwqn 2021-07-29T15:25:34,190 Entered build tracker: /tmp/pip-req-tracker-ij6vrwqn 2021-07-29T15:25:34,190 Created temporary directory: /tmp/pip-wheel-sw34qpah 2021-07-29T15:25:34,222 WARNING: The index url "/" seems invalid, please provide a scheme. 2021-07-29T15:25:34,223 WARNING: The index url "t" seems invalid, please provide a scheme. 2021-07-29T15:25:34,223 WARNING: The index url "m" seems invalid, please provide a scheme. 2021-07-29T15:25:34,223 WARNING: The index url "p" seems invalid, please provide a scheme. 2021-07-29T15:25:34,224 Looking in indexes: https://pypi.org/simple, /, t, m, p 2021-07-29T15:25:34,226 WARNING: Location '/raspa2/' is ignored: it is either a non-existing path or lacks a specific scheme. 2021-07-29T15:25:34,227 WARNING: Location 't/raspa2/' is ignored: it is either a non-existing path or lacks a specific scheme. 2021-07-29T15:25:34,227 WARNING: Location 'm/raspa2/' is ignored: it is either a non-existing path or lacks a specific scheme. 2021-07-29T15:25:34,227 WARNING: Location 'p/raspa2/' is ignored: it is either a non-existing path or lacks a specific scheme. 2021-07-29T15:25:34,228 1 location(s) to search for versions of raspa2: 2021-07-29T15:25:34,228 * https://pypi.org/simple/raspa2/ 2021-07-29T15:25:34,228 Fetching project page and analyzing links: https://pypi.org/simple/raspa2/ 2021-07-29T15:25:34,228 Getting page https://pypi.org/simple/raspa2/ 2021-07-29T15:25:34,230 Found index url https://pypi.org/simple 2021-07-29T15:25:34,441 Found link https://files.pythonhosted.org/packages/13/96/b7c3139df4febe43380e8391c52883a361aa4c3b1a48ca59cb124a678c43/RASPA2-2.0.0.tar.gz#sha256=45e2c9a03ac203f4f3820486f522ca8ed5a77ab7b7a118f5ccaaefe404220bcf (from https://pypi.org/simple/raspa2/), version: 2.0.0 2021-07-29T15:25:34,441 Found link https://files.pythonhosted.org/packages/73/5d/292863b00a128c69bffbb57894d7fbf959bcea6bf6b9ae7f1dc465a76e3a/RASPA2-2.0.1.tar.gz#sha256=e6062a9ad4ed4afbb35dea9e010ae8edc810ce4b2894e44f91a04ad28735826e (from https://pypi.org/simple/raspa2/), version: 2.0.1 2021-07-29T15:25:34,441 Found link https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz#sha256=4fb6674f8f4431e91c178c57cdd12a7c3f097967c4430fe7aa988b06f7a920a4 (from https://pypi.org/simple/raspa2/), version: 2.0.2 2021-07-29T15:25:34,442 Skipping link: No binaries permitted for raspa2: https://files.pythonhosted.org/packages/8a/8c/5efbf97988c86f120646e3c575b53b5ce63d09eb6692c11e1a89f288f3a9/RASPA2-2.0.3-cp34-cp34m-macosx_10_5_x86_64.whl#sha256=b47479c8cbe9465f251689c0eac29921a8263b1c2c85f1a19b57d4dc5c4a789d (from https://pypi.org/simple/raspa2/) 2021-07-29T15:25:34,442 Found link https://files.pythonhosted.org/packages/98/0d/b750772608f1727fcc1ab455f538d4aa3631943bccecc0309d7bbe7bdd92/RASPA2-2.0.3.tar.gz#sha256=f4ee7f32d9c13263e213d36695ef61dd23985900c4cee98bacfe0bee22002229 (from https://pypi.org/simple/raspa2/), version: 2.0.3 2021-07-29T15:25:34,442 Skipping link: No binaries permitted for raspa2: https://files.pythonhosted.org/packages/b9/ae/67a5038d0931d0e444c86487983359e6462f52286eb1840011022ba81a00/RASPA2-2.0.4-cp37-cp37m-macosx_10_9_x86_64.whl#sha256=37afc2779ad3d57be470b23bff8339b600fe1e1601aed216b833912363a36e36 (from https://pypi.org/simple/raspa2/) 2021-07-29T15:25:34,442 Skipping link: No binaries permitted for raspa2: https://files.pythonhosted.org/packages/fd/40/5f0c69b05c8f564e6caf3f8c99179b424b02bdbaf3f76aa3d8d947ee382b/RASPA2-2.0.4-cp37-cp37m-manylinux_2_24_x86_64.whl#sha256=494d06c4c193d4873303cb214061b598be50329cd5aa91ef708fad99c229294e (from https://pypi.org/simple/raspa2/) 2021-07-29T15:25:34,443 Found link https://files.pythonhosted.org/packages/df/7c/6b435fed5080134b1bdeecf82ce490a4d324f3fb87a432b226623f7cd69f/RASPA2-2.0.4.tar.gz#sha256=b051782dddc395b008c31f47347da344b202ac3aa909610e3ce67e94c51f2bf1 (from https://pypi.org/simple/raspa2/), version: 2.0.4 2021-07-29T15:25:34,443 Skipping link: not a file: https://pypi.org/simple/raspa2/ 2021-07-29T15:25:34,461 Given no hashes to check 1 links for project 'raspa2': discarding no candidates 2021-07-29T15:25:34,479 Collecting raspa2==2.0.4 2021-07-29T15:25:34,480 Created temporary directory: /tmp/pip-unpack-6t9j2s89 2021-07-29T15:25:35,099 Downloading RASPA2-2.0.4.tar.gz (3.3 MB) 2021-07-29T15:25:38,240 Added raspa2==2.0.4 from https://files.pythonhosted.org/packages/df/7c/6b435fed5080134b1bdeecf82ce490a4d324f3fb87a432b226623f7cd69f/RASPA2-2.0.4.tar.gz#sha256=b051782dddc395b008c31f47347da344b202ac3aa909610e3ce67e94c51f2bf1 to build tracker '/tmp/pip-req-tracker-ij6vrwqn' 2021-07-29T15:25:38,241 Running setup.py (path:/tmp/pip-wheel-sw34qpah/raspa2_bdf5315099d84a6581ce9009ca3ecc71/setup.py) egg_info for package raspa2 2021-07-29T15:25:38,242 Created temporary directory: /tmp/pip-pip-egg-info-i620qnl7 2021-07-29T15:25:38,243 Running command python setup.py egg_info 2021-07-29T15:25:39,718 running egg_info 2021-07-29T15:25:39,721 creating /tmp/pip-pip-egg-info-i620qnl7/RASPA2.egg-info 2021-07-29T15:25:39,722 writing /tmp/pip-pip-egg-info-i620qnl7/RASPA2.egg-info/PKG-INFO 2021-07-29T15:25:39,724 writing dependency_links to /tmp/pip-pip-egg-info-i620qnl7/RASPA2.egg-info/dependency_links.txt 2021-07-29T15:25:39,726 writing entry points to /tmp/pip-pip-egg-info-i620qnl7/RASPA2.egg-info/entry_points.txt 2021-07-29T15:25:39,727 writing top-level names to /tmp/pip-pip-egg-info-i620qnl7/RASPA2.egg-info/top_level.txt 2021-07-29T15:25:39,729 writing manifest file '/tmp/pip-pip-egg-info-i620qnl7/RASPA2.egg-info/SOURCES.txt' 2021-07-29T15:25:39,873 package init file './__init__.py' not found (or not a regular file) 2021-07-29T15:25:40,046 reading manifest file '/tmp/pip-pip-egg-info-i620qnl7/RASPA2.egg-info/SOURCES.txt' 2021-07-29T15:25:40,047 reading manifest template 'MANIFEST.in' 2021-07-29T15:25:40,859 writing manifest file '/tmp/pip-pip-egg-info-i620qnl7/RASPA2.egg-info/SOURCES.txt' 2021-07-29T15:25:40,999 Source in /tmp/pip-wheel-sw34qpah/raspa2_bdf5315099d84a6581ce9009ca3ecc71 has version 2.0.4, which satisfies requirement raspa2==2.0.4 from https://files.pythonhosted.org/packages/df/7c/6b435fed5080134b1bdeecf82ce490a4d324f3fb87a432b226623f7cd69f/RASPA2-2.0.4.tar.gz#sha256=b051782dddc395b008c31f47347da344b202ac3aa909610e3ce67e94c51f2bf1 2021-07-29T15:25:41,000 Removed raspa2==2.0.4 from https://files.pythonhosted.org/packages/df/7c/6b435fed5080134b1bdeecf82ce490a4d324f3fb87a432b226623f7cd69f/RASPA2-2.0.4.tar.gz#sha256=b051782dddc395b008c31f47347da344b202ac3aa909610e3ce67e94c51f2bf1 from build tracker '/tmp/pip-req-tracker-ij6vrwqn' 2021-07-29T15:25:41,004 Created temporary directory: /tmp/pip-unpack-_f7wiabd 2021-07-29T15:25:41,005 Building wheels for collected packages: raspa2 2021-07-29T15:25:41,009 Created temporary directory: /tmp/pip-wheel-gcnc3cnm 2021-07-29T15:25:41,010 Building wheel for raspa2 (setup.py): started 2021-07-29T15:25:41,010 Destination directory: /tmp/pip-wheel-gcnc3cnm 2021-07-29T15:25:41,010 Running command /usr/bin/python3 -u -c 'import io, os, sys, setuptools, tokenize; sys.argv[0] = '"'"'/tmp/pip-wheel-sw34qpah/raspa2_bdf5315099d84a6581ce9009ca3ecc71/setup.py'"'"'; __file__='"'"'/tmp/pip-wheel-sw34qpah/raspa2_bdf5315099d84a6581ce9009ca3ecc71/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-gcnc3cnm 2021-07-29T15:25:42,424 running bdist_wheel 2021-07-29T15:25:42,578 running build 2021-07-29T15:25:42,579 running build_py 2021-07-29T15:25:42,717 creating build 2021-07-29T15:25:42,718 creating build/lib.linux-armv7l-3.9 2021-07-29T15:25:42,718 creating build/lib.linux-armv7l-3.9/RASPA2 2021-07-29T15:25:42,719 copying python/raspa2.py -> build/lib.linux-armv7l-3.9/RASPA2 2021-07-29T15:25:42,722 copying python/output_parser.py -> build/lib.linux-armv7l-3.9/RASPA2 2021-07-29T15:25:42,724 copying python/__init__.py -> build/lib.linux-armv7l-3.9/RASPA2 2021-07-29T15:25:42,726 package init file './__init__.py' not found (or not a regular file) 2021-07-29T15:25:42,727 running egg_info 2021-07-29T15:25:42,739 writing RASPA2.egg-info/PKG-INFO 2021-07-29T15:25:42,741 writing dependency_links to RASPA2.egg-info/dependency_links.txt 2021-07-29T15:25:42,742 writing entry points to RASPA2.egg-info/entry_points.txt 2021-07-29T15:25:42,744 writing top-level names to RASPA2.egg-info/top_level.txt 2021-07-29T15:25:42,762 reading manifest file 'RASPA2.egg-info/SOURCES.txt' 2021-07-29T15:25:42,794 reading manifest template 'MANIFEST.in' 2021-07-29T15:25:43,551 writing manifest file 'RASPA2.egg-info/SOURCES.txt' 2021-07-29T15:25:43,624 creating build/lib.linux-armv7l-3.9/RASPA2/share 2021-07-29T15:25:43,624 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa 2021-07-29T15:25:43,625 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield 2021-07-29T15:25:43,625 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-29T15:25:43,626 copying ./forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-29T15:25:43,629 copying ./forcefield/CoreShellSastreGale2005/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-29T15:25:43,631 copying ./forcefield/CoreShellSastreGale2005/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-29T15:25:43,634 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-29T15:25:43,635 copying ./forcefield/GarciaPerez2006/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-29T15:25:43,637 copying ./forcefield/GarciaPerez2006/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-29T15:25:43,640 copying ./forcefield/GarciaPerez2006/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-29T15:25:43,642 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericZeolites 2021-07-29T15:25:43,643 copying ./forcefield/GenericZeolites/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericZeolites 2021-07-29T15:25:43,645 copying ./forcefield/GenericZeolites/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericZeolites 2021-07-29T15:25:43,648 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-29T15:25:43,649 copying ./forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-29T15:25:43,651 copying ./forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-29T15:25:43,654 copying ./forcefield/Dubbeldam2012MIL-100/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-29T15:25:43,657 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-29T15:25:43,658 copying ./forcefield/Pascual2004/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-29T15:25:43,660 copying ./forcefield/Pascual2004/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-29T15:25:43,663 copying ./forcefield/Pascual2004/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-29T15:25:43,665 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-29T15:25:43,666 copying ./forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-29T15:25:43,669 copying ./forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-29T15:25:43,672 copying ./forcefield/Dzubak2012-IRMOF-1/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-29T15:25:43,674 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-29T15:25:43,675 copying ./forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-29T15:25:43,677 copying ./forcefield/CoreShellSchroderSauer/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-29T15:25:43,680 copying ./forcefield/CoreShellSchroderSauer/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-29T15:25:43,682 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-29T15:25:43,683 copying ./forcefield/AmirjalayerSchmid/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-29T15:25:43,685 copying ./forcefield/AmirjalayerSchmid/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-29T15:25:43,688 copying ./forcefield/AmirjalayerSchmid/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-29T15:25:43,690 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-29T15:25:43,691 copying ./forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-29T15:25:43,694 copying ./forcefield/CastilloVlugtCalero2009/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-29T15:25:43,696 copying ./forcefield/CastilloVlugtCalero2009/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-29T15:25:43,698 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-29T15:25:43,699 copying ./forcefield/RigidIonKramer1991/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-29T15:25:43,702 copying ./forcefield/RigidIonKramer1991/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-29T15:25:43,704 copying ./forcefield/RigidIonKramer1991/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-29T15:25:43,707 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-29T15:25:43,707 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-29T15:25:43,710 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-29T15:25:43,713 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-29T15:25:43,715 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-29T15:25:43,716 copying ./forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-29T15:25:43,719 copying ./forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-29T15:25:43,721 copying ./forcefield/Dubbeldam2012MIL-101/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-29T15:25:43,723 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-29T15:25:43,724 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-29T15:25:43,727 copying ./forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-29T15:25:43,730 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-29T15:25:43,732 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-29T15:25:43,733 copying ./forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-29T15:25:43,735 copying ./forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-29T15:25:43,738 copying ./forcefield/Dzubak2012-MgMOF-74/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-29T15:25:43,741 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericMOFs 2021-07-29T15:25:43,742 copying ./forcefield/GenericMOFs/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericMOFs 2021-07-29T15:25:43,744 copying ./forcefield/GenericMOFs/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericMOFs 2021-07-29T15:25:43,747 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-29T15:25:43,748 copying ./forcefield/CrystalGenerator/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-29T15:25:43,751 copying ./forcefield/CrystalGenerator/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-29T15:25:43,754 copying ./forcefield/CrystalGenerator/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-29T15:25:43,756 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-29T15:25:43,757 copying ./forcefield/CoreShellCatlow/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-29T15:25:43,759 copying ./forcefield/CoreShellCatlow/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-29T15:25:43,762 copying ./forcefield/CoreShellCatlow/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-29T15:25:43,764 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE 2021-07-29T15:25:43,765 copying ./forcefield/TraPPE/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE 2021-07-29T15:25:43,767 copying ./forcefield/TraPPE/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE 2021-07-29T15:25:43,769 copying ./forcefield/TraPPE/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE 2021-07-29T15:25:43,771 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-29T15:25:43,772 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-29T15:25:43,775 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-29T15:25:43,777 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-29T15:25:43,780 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-29T15:25:43,781 copying ./forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-29T15:25:43,783 copying ./forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-29T15:25:43,786 copying ./forcefield/MgMOF-74-Yazaydin/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-29T15:25:43,788 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas 2021-07-29T15:25:43,789 copying ./forcefield/Nicholas/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas 2021-07-29T15:25:43,792 copying ./forcefield/Nicholas/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas 2021-07-29T15:25:43,794 copying ./forcefield/Nicholas/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas 2021-07-29T15:25:43,796 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-29T15:25:43,797 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-29T15:25:43,800 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-29T15:25:43,802 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-29T15:25:43,805 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-29T15:25:43,805 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-29T15:25:43,808 copying ./forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-29T15:25:43,811 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-29T15:25:43,813 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework 2021-07-29T15:25:43,814 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2021-07-29T15:25:43,815 copying ./framework/CoreShellSastreGale2005/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2021-07-29T15:25:43,817 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2021-07-29T15:25:43,818 copying ./framework/CoreShellSchroderSauer/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2021-07-29T15:25:43,821 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/AmirjalayerSchmid 2021-07-29T15:25:43,822 copying ./framework/AmirjalayerSchmid/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/AmirjalayerSchmid 2021-07-29T15:25:43,824 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/DemontisModified 2021-07-29T15:25:43,825 copying ./framework/DemontisModified/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/DemontisModified 2021-07-29T15:25:43,827 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2021-07-29T15:25:43,828 copying ./framework/Dubbeldam2007FlexibleIRMOF-10/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2021-07-29T15:25:43,831 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Demontis 2021-07-29T15:25:43,832 copying ./framework/Demontis/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Demontis 2021-07-29T15:25:43,834 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellCatlow 2021-07-29T15:25:43,835 copying ./framework/CoreShellCatlow/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellCatlow 2021-07-29T15:25:43,837 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/NicholasModified 2021-07-29T15:25:43,838 copying ./framework/NicholasModified/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/NicholasModified 2021-07-29T15:25:43,841 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2021-07-29T15:25:43,842 copying ./framework/Dubbeldam2007FlexibleIRMOF-16/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2021-07-29T15:25:43,844 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Nicholas 2021-07-29T15:25:43,845 copying ./framework/Nicholas/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Nicholas 2021-07-29T15:25:43,848 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2021-07-29T15:25:43,849 copying ./framework/Dubbeldam2007FlexibleIRMOF-1/framework.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2021-07-29T15:25:43,851 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules 2021-07-29T15:25:43,851 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:25:43,853 copying ./molecules/TraPPE-UA/pentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:25:43,855 copying ./molecules/TraPPE-UA/methane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:25:43,857 copying ./molecules/TraPPE-UA/propane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:25:43,860 copying ./molecules/TraPPE-UA/isobutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:25:43,862 copying ./molecules/TraPPE-UA/heptane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:25:43,864 copying ./molecules/TraPPE-UA/dimethylpropane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:25:43,867 copying ./molecules/TraPPE-UA/2-methylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:25:43,869 copying ./molecules/TraPPE-UA/butane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:25:43,871 copying ./molecules/TraPPE-UA/CO2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:25:43,874 copying ./molecules/TraPPE-UA/ethane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:25:43,876 copying ./molecules/TraPPE-UA/2-methylbutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:25:43,878 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-EH 2021-07-29T15:25:43,879 copying ./molecules/TraPPE-EH/methane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-EH 2021-07-29T15:25:43,882 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-29T15:25:43,882 copying ./molecules/CastilloVlugtCalero2009/p-xylene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-29T15:25:43,885 copying ./molecules/CastilloVlugtCalero2009/toluene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-29T15:25:43,887 copying ./molecules/CastilloVlugtCalero2009/m-xylene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-29T15:25:43,889 copying ./molecules/CastilloVlugtCalero2009/o-xylene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-29T15:25:43,892 copying ./molecules/CastilloVlugtCalero2009/benzene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-29T15:25:43,894 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/Generic 2021-07-29T15:25:43,895 copying ./molecules/Generic/methane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/Generic 2021-07-29T15:25:43,898 copying ./molecules/Generic/argon.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/Generic 2021-07-29T15:25:43,900 copying ./molecules/Generic/CO2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/Generic 2021-07-29T15:25:43,902 copying ./molecules/Generic/N2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/Generic 2021-07-29T15:25:43,905 copying ./molecules/Generic/helium.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/Generic 2021-07-29T15:25:43,907 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/EPM2 2021-07-29T15:25:43,908 copying ./molecules/EPM2/CO2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/EPM2 2021-07-29T15:25:43,910 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,911 copying ./molecules/TraPPE/NaCl.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,913 copying ./molecules/TraPPE/formaldehyde.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,915 copying ./molecules/TraPPE/methanol.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,918 copying ./molecules/TraPPE/3-methylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,920 copying ./molecules/TraPPE/C1.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,923 copying ./molecules/TraPPE/pentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,925 copying ./molecules/TraPPE/H2S.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,927 copying ./molecules/TraPPE/methane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,929 copying ./molecules/TraPPE/C19.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,932 copying ./molecules/TraPPE/LJ1.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,934 copying ./molecules/TraPPE/propene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,936 copying ./molecules/TraPPE/C16.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,938 copying ./molecules/TraPPE/27dmC8.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,941 copying ./molecules/TraPPE/C2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,943 copying ./molecules/TraPPE/C24.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,946 copying ./molecules/TraPPE/sodium.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,948 copying ./molecules/TraPPE/xenon.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,950 copying ./molecules/TraPPE/24dmC8.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,953 copying ./molecules/TraPPE/2-trans-butene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,955 copying ./molecules/TraPPE/2-methylheptane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,957 copying ./molecules/TraPPE/4mC9.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,960 copying ./molecules/TraPPE/C17.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,962 copying ./molecules/TraPPE/kalium.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,964 copying ./molecules/TraPPE/C11.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,966 copying ./molecules/TraPPE/chromene_R_flexible.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,969 copying ./molecules/TraPPE/33-dimethylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,972 copying ./molecules/TraPPE/223-trimethylbutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,974 copying ./molecules/TraPPE/isooctane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,976 copying ./molecules/TraPPE/propane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,978 copying ./molecules/TraPPE/44methylethyloctane_R.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,981 copying ./molecules/TraPPE/33-dimethylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,983 copying ./molecules/TraPPE/isobutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,986 copying ./molecules/TraPPE/C25.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,988 copying ./molecules/TraPPE/C12.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,991 copying ./molecules/TraPPE/IonN.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,993 copying ./molecules/TraPPE/AsH3.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,995 copying ./molecules/TraPPE/CO.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:43,997 copying ./molecules/TraPPE/C28.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,000 copying ./molecules/TraPPE/hexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,002 copying ./molecules/TraPPE/24-dimethylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,004 copying ./molecules/TraPPE/1-butene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,006 copying ./molecules/TraPPE/hexadecane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,009 copying ./molecules/TraPPE/argon.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,011 copying ./molecules/TraPPE/3mC9.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,013 copying ./molecules/TraPPE/BDC.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,016 copying ./molecules/TraPPE/23-dimethylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,018 copying ./molecules/TraPPE/IonP.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,020 copying ./molecules/TraPPE/2-cis-butene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,022 copying ./molecules/TraPPE/neopentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,024 copying ./molecules/TraPPE/C15.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,027 copying ./molecules/TraPPE/23-dimethylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,029 copying ./molecules/TraPPE/C27.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,032 copying ./molecules/TraPPE/C2H2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,034 copying ./molecules/TraPPE/H2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,036 copying ./molecules/TraPPE/C3.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,039 copying ./molecules/TraPPE/22-dimethylbutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,041 copying ./molecules/TraPPE/2-ethyl-2-hexenal-cis.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,043 copying ./molecules/TraPPE/heptane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,046 copying ./molecules/TraPPE/dimethylpropane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,048 copying ./molecules/TraPPE/calcium.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,050 copying ./molecules/TraPPE/C6.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,052 copying ./molecules/TraPPE/C26.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,055 copying ./molecules/TraPPE/C10.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,057 copying ./molecules/TraPPE/25-dimethylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,059 copying ./molecules/TraPPE/none.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,062 copying ./molecules/TraPPE/4-methylheptane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,064 copying ./molecules/TraPPE/C7.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,066 copying ./molecules/TraPPE/ethene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,068 copying ./molecules/TraPPE/2-methylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,071 copying ./molecules/TraPPE/C20.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,073 copying ./molecules/TraPPE/octane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,075 copying ./molecules/TraPPE/C18.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,078 copying ./molecules/TraPPE/C22.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,080 copying ./molecules/TraPPE/22dmC8.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,082 copying ./molecules/TraPPE/224-trimethylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,085 copying ./molecules/TraPPE/O2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,087 copying ./molecules/TraPPE/undecane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,089 copying ./molecules/TraPPE/butane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,092 copying ./molecules/TraPPE/C21.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,094 copying ./molecules/TraPPE/CO2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,096 copying ./molecules/TraPPE/hydrogen.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,099 copying ./molecules/TraPPE/N2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,101 copying ./molecules/TraPPE/krypton.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,103 copying ./molecules/TraPPE/2-methylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,105 copying ./molecules/TraPPE/ethane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,108 copying ./molecules/TraPPE/chloride.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,110 copying ./molecules/TraPPE/Cl.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,113 copying ./molecules/TraPPE/LJ2.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,115 copying ./molecules/TraPPE/dodecane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,117 copying ./molecules/TraPPE/C13.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,120 copying ./molecules/TraPPE/C23.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,122 copying ./molecules/TraPPE/C8.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,125 copying ./molecules/TraPPE/Na.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,127 copying ./molecules/TraPPE/23-dimethylbutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,129 copying ./molecules/TraPPE/C14.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,131 copying ./molecules/TraPPE/2-methylbutane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,133 copying ./molecules/TraPPE/water.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,136 copying ./molecules/TraPPE/nonane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,138 copying ./molecules/TraPPE/2mC9.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,141 copying ./molecules/TraPPE/ethanol.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,143 copying ./molecules/TraPPE/44methylethyloctane_L.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,145 copying ./molecules/TraPPE/24-dimethylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,147 copying ./molecules/TraPPE/benzene.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,150 copying ./molecules/TraPPE/22-dimethylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,152 copying ./molecules/TraPPE/C4.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,154 copying ./molecules/TraPPE/C9.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,156 copying ./molecules/TraPPE/3-methylheptane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,159 copying ./molecules/TraPPE/2-ethyl-2-hexenal-trans.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,161 copying ./molecules/TraPPE/C5.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,164 copying ./molecules/TraPPE/helium.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,166 copying ./molecules/TraPPE/22-dimethylhexane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,168 copying ./molecules/TraPPE/3-methylpentane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,170 copying ./molecules/TraPPE/PH3.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,173 copying ./molecules/TraPPE/decane.def -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:25:44,175 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures 2021-07-29T15:25:44,175 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,177 copying ./structures/cif/MOF-205.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,180 copying ./structures/cif/MIL-88A-dry.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,182 copying ./structures/cif/MIL-101-primitive.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,191 copying ./structures/cif/AFI_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,194 copying ./structures/cif/graphite-sheet-9.5A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,198 copying ./structures/cif/ZnBDCdabco.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,201 copying ./structures/cif/ZIF-96.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,203 copying ./structures/cif/SWNT-1-14.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,208 copying ./structures/cif/ITQ-3.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,211 copying ./structures/cif/ZIF-2.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,214 copying ./structures/cif/ZIF-90.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,217 copying ./structures/cif/MIL-53(Cr)lt.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,220 copying ./structures/cif/COF-102.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,223 copying ./structures/cif/graphite-square-channel-12.78A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,231 copying ./structures/cif/MIL-140C-DFT.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,234 copying ./structures/cif/IRMOF-12.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,238 copying ./structures/cif/UMCM-1.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,241 copying ./structures/cif/ZIF-12.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,246 copying ./structures/cif/MFS.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,248 copying ./structures/cif/AlPO-5.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,250 copying ./structures/cif/DDR.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,252 copying ./structures/cif/MIL-88B-dry.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,254 copying ./structures/cif/IRMOF-3.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,258 copying ./structures/cif/Co-DOBDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,260 copying ./structures/cif/EMT.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,262 copying ./structures/cif/COF-103.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,265 copying ./structures/cif/ZIF-68.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,268 copying ./structures/cif/MIL-140D-DFT.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,270 copying ./structures/cif/ZnMOF-74.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,272 copying ./structures/cif/ITQ-7.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,275 copying ./structures/cif/ZIF-9.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,277 copying ./structures/cif/CoBDP-Dubbeldam.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,280 copying ./structures/cif/OFF.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,283 copying ./structures/cif/graphite-sheet-17.04A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,290 copying ./structures/cif/ZIF-7.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,292 copying ./structures/cif/Co(2,6-NDP).cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,295 copying ./structures/cif/ZIF-3.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,297 copying ./structures/cif/MOF-210.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,301 copying ./structures/cif/IRMOF-9.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,304 copying ./structures/cif/Zr-TPDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,308 copying ./structures/cif/MIL-101.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,333 copying ./structures/cif/graphite-sheet-11.0A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,337 copying ./structures/cif/ZIF-8.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,341 copying ./structures/cif/ZIF-71.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,343 copying ./structures/cif/MIL-100.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,362 copying ./structures/cif/MOF-72.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,364 copying ./structures/cif/ZnHBDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,366 copying ./structures/cif/MIL-140A-DFT.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,368 copying ./structures/cif/MgMOF-74-extended-VASP.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,370 copying ./structures/cif/MFI_para.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,373 copying ./structures/cif/IRMOF-4.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,377 copying ./structures/cif/SWNT-10-13.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,382 copying ./structures/cif/ZIF-11.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,386 copying ./structures/cif/graphite-square-channel-17.04A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,395 copying ./structures/cif/COF-202.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,398 copying ./structures/cif/PCN-68-primitive.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,401 copying ./structures/cif/ZIF-10.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,404 copying ./structures/cif/FER.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,407 copying ./structures/cif/graphite-sheet-15.62A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,410 copying ./structures/cif/IRMOF-13.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,413 copying ./structures/cif/ISV.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,415 copying ./structures/cif/MOF-177_ortho.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,420 copying ./structures/cif/MAF-X8.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,423 copying ./structures/cif/CAN-12.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,426 copying ./structures/cif/SWNT-1-23.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,433 copying ./structures/cif/MEI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,435 copying ./structures/cif/CON.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,441 copying ./structures/cif/PCN-68.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,446 copying ./structures/cif/COF-1.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,450 copying ./structures/cif/MFI_SI_mono.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,453 copying ./structures/cif/AFX_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,456 copying ./structures/cif/NU-108-Zn.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,460 copying ./structures/cif/quartz.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,463 copying ./structures/cif/NU-108-Cu.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,466 copying ./structures/cif/LEV.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,469 copying ./structures/cif/graphite-square-channel-15.62A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,480 copying ./structures/cif/MIL-88D-open.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,483 copying ./structures/cif/LTA5A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,486 copying ./structures/cif/ZIF-77.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,488 copying ./structures/cif/Cu-BTC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,492 copying ./structures/cif/ZIF-80.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,494 copying ./structures/cif/LTA_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,497 copying ./structures/cif/TON.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,500 copying ./structures/cif/SWNT-11-18.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,507 copying ./structures/cif/LAU.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,510 copying ./structures/cif/ERI_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,513 copying ./structures/cif/PCN-60.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,516 copying ./structures/cif/CoBDP.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,519 copying ./structures/cif/IRMOF-1.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,522 copying ./structures/cif/MIL-140B-DFT.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,525 copying ./structures/cif/ITQ-29-2x2x2.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,529 copying ./structures/cif/ZnMOF-74-VASP.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,532 copying ./structures/cif/STF.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,535 copying ./structures/cif/ZIF-93.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,537 copying ./structures/cif/Cd3BTB2.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,540 copying ./structures/cif/MOF-210-primitive.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,543 copying ./structures/cif/IRMOF-7.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,547 copying ./structures/cif/MOF-200.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,552 copying ./structures/cif/IRMOF-10.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,555 copying ./structures/cif/MIL-88C-dry.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,557 copying ./structures/cif/alpha-quartz.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,559 copying ./structures/cif/MFI_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,562 copying ./structures/cif/DON.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,565 copying ./structures/cif/graphite-sheet-10.25A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,570 copying ./structures/cif/CFI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,573 copying ./structures/cif/CHA_SI_mono.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,575 copying ./structures/cif/BOG_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,578 copying ./structures/cif/COF-105.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,580 copying ./structures/cif/ATS.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,583 copying ./structures/cif/MIL-100-primitive.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,591 copying ./structures/cif/MFI_SI_Olson.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,594 copying ./structures/cif/graphite-sheet-12.78A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,598 copying ./structures/cif/ITQ-29.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,600 copying ./structures/cif/MgMOF-74.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,603 copying ./structures/cif/BEA.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,605 copying ./structures/cif/IRMOF-2.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,608 copying ./structures/cif/IRMOF-6.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,611 copying ./structures/cif/IRMOF-11.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,618 copying ./structures/cif/SWNT-3-9.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,621 copying ./structures/cif/graphite-sheet-18.46A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,628 copying ./structures/cif/graphite-sheet-15.0A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,634 copying ./structures/cif/IRMOF-1-Ar.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,636 copying ./structures/cif/graphite-sheet-12.0A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,642 copying ./structures/cif/graphite-square-channel-19.88A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,655 copying ./structures/cif/graphite.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,657 copying ./structures/cif/IRMOF-14.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,659 copying ./structures/cif/graphite-sheet-8.52A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,663 copying ./structures/cif/MgMOF-74-VASP.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,665 copying ./structures/cif/ZIF-97.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,668 copying ./structures/cif/graphite-sheet-10.65A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,672 copying ./structures/cif/LTA4A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,674 copying ./structures/cif/ZIF-6.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,677 copying ./structures/cif/ZnBDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,679 copying ./structures/cif/ITQ-12.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,682 copying ./structures/cif/COF-5.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,684 copying ./structures/cif/PCN-61.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,686 copying ./structures/cif/MOR_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,688 copying ./structures/cif/AlPO-17.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,691 copying ./structures/cif/IRMOF-8.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,694 copying ./structures/cif/MEL.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,697 copying ./structures/cif/ZIF-5.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,699 copying ./structures/cif/SAPO-47.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,701 copying ./structures/cif/ZIF-69.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,704 copying ./structures/cif/graphite-square-channel-18.46A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,715 copying ./structures/cif/Ni-DOBDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,717 copying ./structures/cif/SWNT-3-20.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,723 copying ./structures/cif/GME.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,725 copying ./structures/cif/MOF-70.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,728 copying ./structures/cif/ZIF-1.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,730 copying ./structures/cif/NaX.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,733 copying ./structures/cif/ZIF-4.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,736 copying ./structures/cif/MIL-88B-open.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,738 copying ./structures/cif/graphite-square-channel-8.52A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,747 copying ./structures/cif/SOD.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,750 copying ./structures/cif/graphite-square-channel-11.36A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,759 copying ./structures/cif/coesite.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,761 copying ./structures/cif/SWNT-10-11.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,767 copying ./structures/cif/graphite-sheet-13.25A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,772 copying ./structures/cif/graphite-sheet-14.2A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,777 copying ./structures/cif/SFF.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,779 copying ./structures/cif/AEL.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,781 copying ./structures/cif/graphite-sheet-9.94A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,786 copying ./structures/cif/SWNT-4-14.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,789 copying ./structures/cif/graphite-sheet-9.0A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,795 copying ./structures/cif/Zn-DOBDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,797 copying ./structures/cif/NU-100SP.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,805 copying ./structures/cif/PAU.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,808 copying ./structures/cif/UIO-66.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,811 copying ./structures/cif/graphite_ortho.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,813 copying ./structures/cif/MIL-88C-open.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,815 copying ./structures/cif/MAZ.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,817 copying ./structures/cif/ITQ-1.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,819 copying ./structures/cif/NU-100SP-primitive.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,823 copying ./structures/cif/LTL_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,825 copying ./structures/cif/KFI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,827 copying ./structures/cif/COF-300.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,829 copying ./structures/cif/SWNT-3-11.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,833 copying ./structures/cif/ZIF-20.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,843 copying ./structures/cif/graphite-square-channel-9.94A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,849 copying ./structures/cif/graphite-sheet-11.36A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,853 copying ./structures/cif/COF-108.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,855 copying ./structures/cif/MOF-69c.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,858 copying ./structures/cif/ZIF-69-crystal.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,861 copying ./structures/cif/graphite-square-channel-14.2A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,869 copying ./structures/cif/graphite-sheet-19.88A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,877 copying ./structures/cif/Mg-DOBDC.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,879 copying ./structures/cif/MOF-177.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,882 copying ./structures/cif/CHA_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,884 copying ./structures/cif/MIL-88D-dry.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,887 copying ./structures/cif/NU-108-Cu-primitive.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,891 copying ./structures/cif/graphite-sheet-13.75A.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,896 copying ./structures/cif/MTW_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,898 copying ./structures/cif/MIL-88A-open.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,900 copying ./structures/cif/IRMOF-15.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,903 copying ./structures/cif/MOF-1-Dybtsev-dmol.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,905 copying ./structures/cif/MIL-53(Cr)ht.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,908 copying ./structures/cif/SAPO-56.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,910 copying ./structures/cif/IRMOF-5.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,914 copying ./structures/cif/MIL-47.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,916 copying ./structures/cif/IRMOF-16.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,919 copying ./structures/cif/RHO.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,922 copying ./structures/cif/FAU_SI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,925 copying ./structures/cif/VFI.cif -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif 2021-07-29T15:25:44,927 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,928 copying ./structures/block/ITQ-12.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,930 copying ./structures/block/BOG_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,932 copying ./structures/block/GME.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,934 copying ./structures/block/FAU.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,937 copying ./structures/block/FER.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,939 copying ./structures/block/ERI_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,941 copying ./structures/block/CHA_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,943 copying ./structures/block/LTL_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,945 copying ./structures/block/TON.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,947 copying ./structures/block/MFI_mono.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,950 copying ./structures/block/DDR_ortho.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,952 copying ./structures/block/MFI_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,954 copying ./structures/block/test.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,956 copying ./structures/block/ITQ-3.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,958 copying ./structures/block/ITQ-29-2x2x2.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,961 copying ./structures/block/LTA_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,963 copying ./structures/block/ATS.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,965 copying ./structures/block/MTW.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,967 copying ./structures/block/MOR_SI.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,969 copying ./structures/block/DDR.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,972 copying ./structures/block/ITQ-29.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,974 copying ./structures/block/MFI_Olson.block -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block 2021-07-29T15:25:44,976 creating build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/ions 2021-07-29T15:25:44,977 copying ./structures/ions/IRMOF-1-Ar.ions -> build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/ions 2021-07-29T15:25:44,982 running build_ext 2021-07-29T15:25:44,987 building 'RASPA2.simulations.lib.libraspa2' extension 2021-07-29T15:25:44,989 creating build/temp.linux-armv7l-3.9 2021-07-29T15:25:44,990 creating build/temp.linux-armv7l-3.9/src 2021-07-29T15:25:44,992 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 -Isrc -I/usr/include/python3.9 -c src/cbmc.c -o build/temp.linux-armv7l-3.9/src/cbmc.o 2021-07-29T15:25:52,930 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 -Isrc -I/usr/include/python3.9 -c src/charge_equilibration.c -o build/temp.linux-armv7l-3.9/src/charge_equilibration.o 2021-07-29T15:25:53,134 src/charge_equilibration.c: In function ‘SolveMatrix’: 2021-07-29T15:25:53,134 src/charge_equilibration.c:641:8: warning: variable ‘aii’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:53,135 641 | REAL aii,alpha,f,ak; 2021-07-29T15:25:53,135 | ^~~ 2021-07-29T15:25:54,198 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 -Isrc -I/usr/include/python3.9 -c src/complex.c -o build/temp.linux-armv7l-3.9/src/complex.o 2021-07-29T15:25:54,489 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 -Isrc -I/usr/include/python3.9 -c src/constants.c -o build/temp.linux-armv7l-3.9/src/constants.o 2021-07-29T15:25:54,911 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 -Isrc -I/usr/include/python3.9 -c src/cubic_spline_1d.c -o build/temp.linux-armv7l-3.9/src/cubic_spline_1d.o 2021-07-29T15:25:55,063 src/cubic_spline_1d.c: In function ‘Trapezoidal’: 2021-07-29T15:25:55,063 src/cubic_spline_1d.c:164:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:55,064 164 | REAL tmp1,tmp2,tmp3; 2021-07-29T15:25:55,064 | ^~~~ 2021-07-29T15:25:55,064 src/cubic_spline_1d.c:164:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:55,064 164 | REAL tmp1,tmp2,tmp3; 2021-07-29T15:25:55,064 | ^~~~ 2021-07-29T15:25:55,067 src/cubic_spline_1d.c: In function ‘TrapezoidalWeight’: 2021-07-29T15:25:55,067 src/cubic_spline_1d.c:243:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:55,067 243 | REAL tmp1,tmp2,tmp3; 2021-07-29T15:25:55,067 | ^~~~ 2021-07-29T15:25:55,068 src/cubic_spline_1d.c:243:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:55,068 243 | REAL tmp1,tmp2,tmp3; 2021-07-29T15:25:55,068 | ^~~~ 2021-07-29T15:25:55,068 src/cubic_spline_1d.c:242:15: warning: variable ‘valueb’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:55,068 242 | REAL valuea,valueb; 2021-07-29T15:25:55,069 | ^~~~~~ 2021-07-29T15:25:55,069 src/cubic_spline_1d.c:242:8: warning: variable ‘valuea’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:55,069 242 | REAL valuea,valueb; 2021-07-29T15:25:55,069 | ^~~~~~ 2021-07-29T15:25:55,091 src/cubic_spline_1d.c: In function ‘CreateCubicFittingSpline’: 2021-07-29T15:25:55,092 src/cubic_spline_1d.c:898:7: warning: variable ‘error’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:55,092 898 | int error=7,i; 2021-07-29T15:25:55,092 | ^~~~~ 2021-07-29T15:25:56,733 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 -Isrc -I/usr/include/python3.9 -c src/equations_of_state.c -o build/temp.linux-armv7l-3.9/src/equations_of_state.o 2021-07-29T15:25:57,866 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 -Isrc -I/usr/include/python3.9 -c src/ewald.c -o build/temp.linux-armv7l-3.9/src/ewald.o 2021-07-29T15:25:58,078 src/ewald.c: In function ‘EwaldEnergyIon’: 2021-07-29T15:25:58,079 src/ewald.c:715:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,079 715 | VECTOR *kvecs; 2021-07-29T15:25:58,079 | ^~~~~ 2021-07-29T15:25:58,094 src/ewald.c: In function ‘PrecomputeFixedEwaldContributions’: 2021-07-29T15:25:58,094 src/ewald.c:844:29: warning: variable ‘nr_of_coulombic_sites_framework’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,094 844 | int nr_of_coulombic_sites,nr_of_coulombic_sites_framework,nr_of_coulombic_sites_adsorbate,nr_of_coulombic_sites_cation; 2021-07-29T15:25:58,094 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:25:58,094 src/ewald.c:839:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,094 839 | REAL temp,alpha,charge; 2021-07-29T15:25:58,095 | ^~~~~ 2021-07-29T15:25:58,108 src/ewald.c: In function ‘PrecomputeTotalEwaldContributions’: 2021-07-29T15:25:58,108 src/ewald.c:1384:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,109 1384 | REAL temp,alpha,ksqr,recip_cutoff,charge; 2021-07-29T15:25:58,109 | ^~~~~ 2021-07-29T15:25:58,138 src/ewald.c: In function ‘EwaldFourierEnergy’: 2021-07-29T15:25:58,139 src/ewald.c:1878:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,139 1878 | REAL Bt0,Bt1,Bt2,cosA,cosB,cosAB,scaling,scalingA,scalingB; 2021-07-29T15:25:58,139 | ^~~ 2021-07-29T15:25:58,140 src/ewald.c:1856:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,140 1856 | int nvec,type_mol,type,typeA,typeB; 2021-07-29T15:25:58,140 | ^~~~~ 2021-07-29T15:25:58,141 src/ewald.c:1856:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,141 1856 | int nvec,type_mol,type,typeA,typeB; 2021-07-29T15:25:58,141 | ^~~~~ 2021-07-29T15:25:58,195 src/ewald.c: In function ‘EwaldFourierForce’: 2021-07-29T15:25:58,197 src/ewald.c:2911:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,197 2911 | int nvec,type_mol,type,typeA,typeB; 2021-07-29T15:25:58,197 | ^~~~~ 2021-07-29T15:25:58,199 src/ewald.c:2911:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,199 2911 | int nvec,type_mol,type,typeA,typeB; 2021-07-29T15:25:58,199 | ^~~~~ 2021-07-29T15:25:58,267 src/ewald.c: In function ‘EwaldFourierBornTerm’: 2021-07-29T15:25:58,270 src/ewald.c:4859:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,270 4859 | int nvec,type_mol,type,typeA,typeB; 2021-07-29T15:25:58,270 | ^~~~~ 2021-07-29T15:25:58,273 src/ewald.c:4859:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,273 4859 | int nvec,type_mol,type,typeA,typeB; 2021-07-29T15:25:58,273 | ^~~~~ 2021-07-29T15:25:58,303 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbate’: 2021-07-29T15:25:58,307 src/ewald.c:6960:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,307 6960 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2021-07-29T15:25:58,307 | ^~~ 2021-07-29T15:25:58,339 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC’: 2021-07-29T15:25:58,344 src/ewald.c:7685:7: warning: variable ‘considered_charged’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,344 7685 | int considered_charged; 2021-07-29T15:25:58,344 | ^~~~~~~~~~~~~~~~~~ 2021-07-29T15:25:58,349 src/ewald.c:7669:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,349 7669 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2021-07-29T15:25:58,349 | ^~~ 2021-07-29T15:25:58,378 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC2’: 2021-07-29T15:25:58,384 src/ewald.c:8557:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,384 8557 | int RXMCMoleculeNumbers[256]; 2021-07-29T15:25:58,384 | ^~~~~~~~~~~~~~~~~~~ 2021-07-29T15:25:58,389 src/ewald.c:8538:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,389 8538 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2021-07-29T15:25:58,390 | ^~~ 2021-07-29T15:25:58,407 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateTupleLambda’: 2021-07-29T15:25:58,413 src/ewald.c:9347:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,413 9347 | VECTOR *kvecs; 2021-07-29T15:25:58,413 | ^~~~~ 2021-07-29T15:25:58,419 src/ewald.c:9344:8: warning: variable ‘energy_charge_bonddipole_framework_adsorbates’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,419 9344 | REAL energy_charge_bonddipole_framework_adsorbates; 2021-07-29T15:25:58,419 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:25:58,424 src/ewald.c:9343:44: warning: variable ‘energy_charge_bonddipole_adsorbates_cations’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,425 9343 | REAL energy_charge_bonddipole_adsorbates,energy_charge_bonddipole_adsorbates_cations; 2021-07-29T15:25:58,425 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:25:58,430 src/ewald.c:9343:8: warning: variable ‘energy_charge_bonddipole_adsorbates’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,431 9343 | REAL energy_charge_bonddipole_adsorbates,energy_charge_bonddipole_adsorbates_cations; 2021-07-29T15:25:58,431 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:25:58,436 src/ewald.c:9342:8: warning: variable ‘energy_self_bd_old’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,436 9342 | REAL energy_self_bd_old,energy_self_bd_new; 2021-07-29T15:25:58,436 | ^~~~~~~~~~~~~~~~~~ 2021-07-29T15:25:58,442 src/ewald.c:9339:8: warning: variable ‘net_charge_new’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,442 9339 | REAL net_charge_new,net_charge_old; 2021-07-29T15:25:58,442 | ^~~~~~~~~~~~~~ 2021-07-29T15:25:58,448 src/ewald.c:9336:74: warning: variable ‘energy_bonddipole_framework_adsorbates’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,448 9336 | REAL energy_bonddipole_adsorbates,energy_bonddipole_adsorbates_cations,energy_bonddipole_framework_adsorbates; 2021-07-29T15:25:58,448 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:25:58,454 src/ewald.c:9336:37: warning: variable ‘energy_bonddipole_adsorbates_cations’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,454 9336 | REAL energy_bonddipole_adsorbates,energy_bonddipole_adsorbates_cations,energy_bonddipole_framework_adsorbates; 2021-07-29T15:25:58,454 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:25:58,460 src/ewald.c:9336:8: warning: variable ‘energy_bonddipole_adsorbates’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,460 9336 | REAL energy_bonddipole_adsorbates,energy_bonddipole_adsorbates_cations,energy_bonddipole_framework_adsorbates; 2021-07-29T15:25:58,460 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:25:58,466 src/ewald.c:9335:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,466 9335 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2021-07-29T15:25:58,466 | ^~~ 2021-07-29T15:25:58,471 src/ewald.c:9333:7: warning: variable ‘nr_of_bonddipole_sites’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,472 9333 | int nr_of_bonddipole_sites,nr_of_bonddipole_sites_old,nr_of_bonddipole_sites_new; 2021-07-29T15:25:58,472 | ^~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:25:58,506 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateCF’: 2021-07-29T15:25:58,512 src/ewald.c:9678:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,513 9678 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2021-07-29T15:25:58,513 | ^~~ 2021-07-29T15:25:58,549 src/ewald.c: In function ‘CalculateEwaldFourierCation’: 2021-07-29T15:25:58,556 src/ewald.c:10388:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,556 10388 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2021-07-29T15:25:58,556 | ^~~ 2021-07-29T15:25:58,599 src/ewald.c: In function ‘CalculateEwaldFourierCationCF’: 2021-07-29T15:25:58,606 src/ewald.c:11097:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,606 11097 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2021-07-29T15:25:58,606 | ^~~ 2021-07-29T15:25:58,636 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkDisplacement’: 2021-07-29T15:25:58,643 src/ewald.c:11938:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,643 11938 | REAL NetChargeNew,NetChargeOld; 2021-07-29T15:25:58,643 | ^~~~~~~~~~~~ 2021-07-29T15:25:58,677 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkAtomTranslate’: 2021-07-29T15:25:58,685 src/ewald.c:12421:13: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,685 12421 | int B1,B2,TypeA; 2021-07-29T15:25:58,685 | ^~~~~ 2021-07-29T15:25:58,693 src/ewald.c:12412:13: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,693 12412 | int A1,A2,index,A,B; 2021-07-29T15:25:58,693 | ^~~~~ 2021-07-29T15:25:58,701 src/ewald.c:12408:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,701 12408 | REAL NetChargeNew,NetChargeOld; 2021-07-29T15:25:58,701 | ^~~~~~~~~~~~ 2021-07-29T15:25:58,709 src/ewald.c:12404:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,709 12404 | REAL fac; 2021-07-29T15:25:58,709 | ^~~ 2021-07-29T15:25:58,717 src/ewald.c:12403:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,717 12403 | int Type; 2021-07-29T15:25:58,717 | ^~~~ 2021-07-29T15:25:58,727 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialAdsorbate’: 2021-07-29T15:25:58,735 src/ewald.c:13071:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,735 13071 | int typeA,typeB,type; 2021-07-29T15:25:58,735 | ^~~~~ 2021-07-29T15:25:58,743 src/ewald.c:13071:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,744 13071 | int typeA,typeB,type; 2021-07-29T15:25:58,744 | ^~~~~ 2021-07-29T15:25:58,752 src/ewald.c:13068:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,752 13068 | VECTOR *kvecs; 2021-07-29T15:25:58,752 | ^~~~~ 2021-07-29T15:25:58,762 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialCation’: 2021-07-29T15:25:58,770 src/ewald.c:13237:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,770 13237 | int typeA,typeB,type; 2021-07-29T15:25:58,770 | ^~~~~ 2021-07-29T15:25:58,778 src/ewald.c:13237:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,779 13237 | int typeA,typeB,type; 2021-07-29T15:25:58,779 | ^~~~~ 2021-07-29T15:25:58,787 src/ewald.c:13234:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,787 13234 | VECTOR *kvecs; 2021-07-29T15:25:58,787 | ^~~~~ 2021-07-29T15:25:58,826 src/ewald.c: In function ‘EwaldFourierStaticElectricField’: 2021-07-29T15:25:58,835 src/ewald.c:13407:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,835 13407 | int nvec,type_mol,type,typeA,typeB; 2021-07-29T15:25:58,835 | ^~~~~ 2021-07-29T15:25:58,843 src/ewald.c:13407:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,844 13407 | int nvec,type_mol,type,typeA,typeB; 2021-07-29T15:25:58,844 | ^~~~~ 2021-07-29T15:25:58,888 src/ewald.c: In function ‘ComputeStaticElectricFieldEwald’: 2021-07-29T15:25:58,897 src/ewald.c:14121:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,897 14121 | int nvec,type_mol,type,typeA,typeB; 2021-07-29T15:25:58,897 | ^~~~~ 2021-07-29T15:25:58,906 src/ewald.c:14121:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,906 14121 | int nvec,type_mol,type,typeA,typeB; 2021-07-29T15:25:58,906 | ^~~~~ 2021-07-29T15:25:58,931 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwald’: 2021-07-29T15:25:58,941 src/ewald.c:15597:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,941 15597 | REAL alpha,fac,temp,fac_self,factor,charge; 2021-07-29T15:25:58,941 | ^~~~~ 2021-07-29T15:25:58,972 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwaldMC’: 2021-07-29T15:25:58,982 src/ewald.c:15939:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:25:58,982 15939 | REAL alpha,fac,temp,fac_self,factor,charge; 2021-07-29T15:25:58,983 | ^~~~~ 2021-07-29T15:26:03,165 src/ewald.c: In function ‘CalculateEwaldFourierDerivatives’: 2021-07-29T15:26:03,177 src/ewald.c:19173:17: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:26:03,177 19173 | REAL *kfactor,alpha,temp; 2021-07-29T15:26:03,178 | ^~~~~ 2021-07-29T15:26:03,190 src/ewald.c:19158:8: warning: variable ‘Usum_framework’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:26:03,190 19158 | REAL Usum_framework; 2021-07-29T15:26:03,190 | ^~~~~~~~~~~~~~ 2021-07-29T15:26:03,203 src/ewald.c:19156:17: warning: variable ‘CksumFramework’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:26:03,203 19156 | COMPLEX Cksum,CksumFramework; 2021-07-29T15:26:03,203 | ^~~~~~~~~~~~~~ 2021-07-29T15:26:03,215 src/ewald.c:19143:17: warning: variable ‘energy_term’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:26:03,216 19143 | REAL exp_term,energy_term; 2021-07-29T15:26:03,216 | ^~~~~~~~~~~ 2021-07-29T15:26:03,228 src/ewald.c:19142:13: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:26:03,228 19142 | REAL Rksq,fac; 2021-07-29T15:26:03,229 | ^~~ 2021-07-29T15:26:03,241 src/ewald.c:19141:18: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:26:03,241 19141 | int type,typeA,typeB,Type; 2021-07-29T15:26:03,241 | ^~~~~ 2021-07-29T15:26:03,254 src/ewald.c:19141:12: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:26:03,254 19141 | int type,typeA,typeB,Type; 2021-07-29T15:26:03,254 | ^~~~~ 2021-07-29T15:27:10,401 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 -Isrc -I/usr/include/python3.9 -c src/framework.c -o build/temp.linux-armv7l-3.9/src/framework.o 2021-07-29T15:27:10,667 src/framework.c: In function ‘MakeFrameworkCellList’: 2021-07-29T15:27:10,667 src/framework.c:152:18: warning: variable ‘M’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:10,667 152 | int i,f1,icell,M; 2021-07-29T15:27:10,667 | ^ 2021-07-29T15:27:10,718 src/framework.c: In function ‘ReadFrameworkDefinitionCIF’: 2021-07-29T15:27:10,718 src/framework.c:362:7: warning: variable ‘NumberOfAtomTypeElementsInBlock’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:10,718 362 | int NumberOfAtomTypeElementsInBlock; 2021-07-29T15:27:10,718 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:10,831 src/framework.c: In function ‘WriteFrameworkDefinitionCIF’: 2021-07-29T15:27:10,832 src/framework.c:2171:12: warning: variable ‘C’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:10,832 2171 | REAL A,B,C; 2021-07-29T15:27:10,832 | ^ 2021-07-29T15:27:10,833 src/framework.c:2171:10: warning: variable ‘B’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:10,833 2171 | REAL A,B,C; 2021-07-29T15:27:10,834 | ^ 2021-07-29T15:27:10,835 src/framework.c:2171:8: warning: variable ‘A’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:10,835 2171 | REAL A,B,C; 2021-07-29T15:27:10,835 | ^ 2021-07-29T15:27:10,853 src/framework.c: In function ‘ReadFrameworkDefinitionCSSR’: 2021-07-29T15:27:10,855 src/framework.c:3368:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:10,855 3368 | int i,temp,index; 2021-07-29T15:27:10,855 | ^~~~~ 2021-07-29T15:27:10,866 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2021-07-29T15:27:10,867 src/framework.c:3672:9: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:10,868 3672 | int j,Type; 2021-07-29T15:27:10,868 | ^~~~ 2021-07-29T15:27:10,878 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2021-07-29T15:27:10,880 src/framework.c:3768:8: warning: variable ‘SerialNumber’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:10,880 3768 | int SerialNumber; // Atom serial number 2021-07-29T15:27:10,880 | ^~~~~~~~~~~~ 2021-07-29T15:27:10,943 src/framework.c: In function ‘ReadIonSitingDefinition’: 2021-07-29T15:27:10,945 src/framework.c:4972:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:10,945 4972 | int i,temp,index; 2021-07-29T15:27:10,945 | ^~~~~ 2021-07-29T15:27:10,956 src/framework.c: In function ‘ReturnNumberOfAsymmetricAtoms’: 2021-07-29T15:27:10,959 src/framework.c:5178:16: warning: variable ‘t’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:10,959 5178 | VECTOR pos,s,t; 2021-07-29T15:27:10,959 | ^ 2021-07-29T15:27:11,092 src/framework.c: In function ‘ReadFrameworkSpecificDefinition’: 2021-07-29T15:27:11,096 src/framework.c:7174:7: warning: variable ‘NumberOfArguments’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:11,096 7174 | int NumberOfArguments; 2021-07-29T15:27:11,097 | ^~~~~~~~~~~~~~~~~ 2021-07-29T15:27:11,114 src/framework.c: In function ‘WriteFrameworkDefinitionDLPOLY’: 2021-07-29T15:27:11,119 src/framework.c:7603:25: warning: variable ‘typeD’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:11,119 7603 | int typeA,typeB,typeC,typeD; 2021-07-29T15:27:11,119 | ^~~~~ 2021-07-29T15:27:11,124 src/framework.c:7603:19: warning: variable ‘typeC’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:11,124 7603 | int typeA,typeB,typeC,typeD; 2021-07-29T15:27:11,124 | ^~~~~ 2021-07-29T15:27:11,129 src/framework.c:7603:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:11,129 7603 | int typeA,typeB,typeC,typeD; 2021-07-29T15:27:11,129 | ^~~~~ 2021-07-29T15:27:11,314 src/framework.c: In function ‘ReadFrameworkDefinition’: 2021-07-29T15:27:11,319 src/framework.c:8109:22: warning: variable ‘index_excluded’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:11,319 8109 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2021-07-29T15:27:11,319 | ^~~~~~~~~~~~~~ 2021-07-29T15:27:11,343 src/framework.c: In function ‘MakeExcludedInteractionLists’: 2021-07-29T15:27:11,351 src/framework.c:11688:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:11,351 11688 | int TypeA,TypeB; 2021-07-29T15:27:11,351 | ^~~~~ 2021-07-29T15:27:11,359 src/framework.c:11688:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:11,359 11688 | int TypeA,TypeB; 2021-07-29T15:27:11,359 | ^~~~~ 2021-07-29T15:27:15,018 src/framework.c: In function ‘WriteFrameworkDefinitionShell’: 2021-07-29T15:27:15,020 src/framework.c:2087:64: warning: ‘%s’ directive writing up to 255 bytes into a region of size 222 [-Wformat-overflow=] 2021-07-29T15:27:15,020 2087 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cell", 2021-07-29T15:27:15,020 | ^~ 2021-07-29T15:27:15,020 ...... 2021-07-29T15:27:15,021 2090 | FileNameAppend); 2021-07-29T15:27:15,021 | ~~~~~~~~~~~~~~ 2021-07-29T15:27:15,021 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:15,021 from src/framework.c:39: 2021-07-29T15:27:15,021 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 40 or more bytes (assuming 295) into a destination of size 256 2021-07-29T15:27:15,021 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:15,021 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,022 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:15,022 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,023 src/framework.c:2126:64: warning: ‘%s’ directive writing up to 255 bytes into a region of size 222 [-Wformat-overflow=] 2021-07-29T15:27:15,023 2126 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.txt", 2021-07-29T15:27:15,023 | ^~ 2021-07-29T15:27:15,023 ...... 2021-07-29T15:27:15,023 2129 | FileNameAppend); 2021-07-29T15:27:15,023 | ~~~~~~~~~~~~~~ 2021-07-29T15:27:15,024 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:15,024 from src/framework.c:39: 2021-07-29T15:27:15,024 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 39 or more bytes (assuming 294) into a destination of size 256 2021-07-29T15:27:15,024 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:15,024 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,024 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:15,024 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,158 src/framework.c: In function ‘WriteFrameworkDefinitionMOL’: 2021-07-29T15:27:15,161 src/framework.c:3164:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2021-07-29T15:27:15,161 3164 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2021-07-29T15:27:15,161 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:27:15,161 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:15,161 from src/framework.c:39: 2021-07-29T15:27:15,161 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 33 or more bytes (assuming 288) into a destination of size 256 2021-07-29T15:27:15,162 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:15,162 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,162 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:15,162 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,282 src/framework.c: In function ‘WriteFrameworkDefinitionCSSR’: 2021-07-29T15:27:15,286 src/framework.c:3577:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2021-07-29T15:27:15,286 3577 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2021-07-29T15:27:15,286 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:27:15,286 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:15,286 from src/framework.c:39: 2021-07-29T15:27:15,286 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 34 or more bytes (assuming 289) into a destination of size 256 2021-07-29T15:27:15,286 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:15,287 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,287 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:15,287 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,289 src/framework.c:3644:37: warning: ‘%-6s’ directive output may be truncated writing between 6 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2021-07-29T15:27:15,289 3644 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2021-07-29T15:27:15,289 | ^~~~ 2021-07-29T15:27:15,289 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:15,289 from src/framework.c:39: 2021-07-29T15:27:15,290 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 7 and 32 bytes into a destination of size 10 2021-07-29T15:27:15,290 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:15,290 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,290 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:15,290 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,292 src/framework.c:3616:37: warning: ‘%-6s’ directive output may be truncated writing between 6 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2021-07-29T15:27:15,292 3616 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2021-07-29T15:27:15,293 | ^~~~ 2021-07-29T15:27:15,293 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:15,293 from src/framework.c:39: 2021-07-29T15:27:15,293 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 7 and 32 bytes into a destination of size 10 2021-07-29T15:27:15,293 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:15,293 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,293 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:15,293 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,465 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2021-07-29T15:27:15,469 src/framework.c:3710:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 230 [-Wformat-overflow=] 2021-07-29T15:27:15,469 3710 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2021-07-29T15:27:15,469 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:27:15,469 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:15,470 from src/framework.c:39: 2021-07-29T15:27:15,470 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 31 or more bytes (assuming 286) into a destination of size 256 2021-07-29T15:27:15,470 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:15,470 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,470 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:15,470 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,473 src/framework.c:3717:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2021-07-29T15:27:15,473 3717 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2021-07-29T15:27:15,473 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:27:15,473 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:15,473 from src/framework.c:39: 2021-07-29T15:27:15,473 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 33 or more bytes (assuming 288) into a destination of size 256 2021-07-29T15:27:15,474 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:15,474 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,474 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:15,474 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,476 src/framework.c:3737:35: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2021-07-29T15:27:15,476 3737 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2021-07-29T15:27:15,476 | ^~~ 2021-07-29T15:27:15,476 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:15,476 from src/framework.c:39: 2021-07-29T15:27:15,477 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 10 2021-07-29T15:27:15,477 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:15,477 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,477 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:15,477 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,478 src/framework.c:3738:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2021-07-29T15:27:15,479 3738 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2021-07-29T15:27:15,479 | ^~~ 2021-07-29T15:27:15,479 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:15,479 from src/framework.c:39: 2021-07-29T15:27:15,479 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 10 2021-07-29T15:27:15,479 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:15,479 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,480 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:15,480 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,671 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2021-07-29T15:27:15,674 src/framework.c:3792:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2021-07-29T15:27:15,675 3792 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2021-07-29T15:27:15,675 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:27:15,675 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:15,675 from src/framework.c:39: 2021-07-29T15:27:15,675 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 34 or more bytes (assuming 289) into a destination of size 256 2021-07-29T15:27:15,675 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:15,675 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,676 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:15,676 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,939 src/framework.c: In function ‘WriteFrameworkDefinitionVASP’: 2021-07-29T15:27:15,943 src/framework.c:3928:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2021-07-29T15:27:15,943 3928 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2021-07-29T15:27:15,943 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:27:15,943 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:15,944 from src/framework.c:39: 2021-07-29T15:27:15,944 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 34 or more bytes (assuming 289) into a destination of size 256 2021-07-29T15:27:15,944 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:15,944 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:15,944 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:15,944 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:16,088 src/framework.c: In function ‘WriteFrameworkDefinitionTinker’: 2021-07-29T15:27:16,092 src/framework.c:4035:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2021-07-29T15:27:16,092 4035 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2021-07-29T15:27:16,092 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:27:16,092 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:16,092 from src/framework.c:39: 2021-07-29T15:27:16,092 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 34 or more bytes (assuming 289) into a destination of size 256 2021-07-29T15:27:16,093 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:16,093 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:16,093 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:16,093 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:16,095 src/framework.c:4045:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2021-07-29T15:27:16,095 4045 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2021-07-29T15:27:16,095 | ^~~ 2021-07-29T15:27:16,095 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:16,095 from src/framework.c:39: 2021-07-29T15:27:16,095 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 4 and 32 bytes into a destination of size 10 2021-07-29T15:27:16,096 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:16,096 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:16,096 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:16,096 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:16,978 src/framework.c: In function ‘ReadIonSitingDefinition’: 2021-07-29T15:27:16,983 src/framework.c:4977:22: warning: ‘%s’ directive writing 4 bytes into a region of size between 0 and 255 [-Wformat-overflow=] 2021-07-29T15:27:16,983 4977 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2021-07-29T15:27:16,983 | ^~ ~~~~~~ 2021-07-29T15:27:16,983 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:16,983 from src/framework.c:39: 2021-07-29T15:27:16,983 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 6 and 261 bytes into a destination of size 256 2021-07-29T15:27:16,983 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:16,984 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:16,984 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:16,984 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:16,986 src/framework.c:4980:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 227 [-Wformat-overflow=] 2021-07-29T15:27:16,986 4980 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2021-07-29T15:27:16,986 | ^~ 2021-07-29T15:27:16,986 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:16,987 from src/framework.c:39: 2021-07-29T15:27:16,987 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 35 or more bytes (assuming 290) into a destination of size 256 2021-07-29T15:27:16,987 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:16,987 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:16,987 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:16,987 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:23,371 src/framework.c: In function ‘WriteFrameworkDefinitionCIF.part.0’: 2021-07-29T15:27:23,373 src/framework.c:2216:69: warning: ‘%s’ directive writing up to 255 bytes into a region of size 217 [-Wformat-overflow=] 2021-07-29T15:27:23,374 2216 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2021-07-29T15:27:23,374 | ^~ 2021-07-29T15:27:23,374 ...... 2021-07-29T15:27:23,374 2219 | FileNameAppend); 2021-07-29T15:27:23,374 | ~~~~~~~~~~~~~~ 2021-07-29T15:27:23,374 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:23,374 from src/framework.c:39: 2021-07-29T15:27:23,375 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 44 or more bytes (assuming 299) into a destination of size 256 2021-07-29T15:27:23,375 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:23,375 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:23,375 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:23,375 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:23,382 src/framework.c:2443:67: warning: ‘%s’ directive writing up to 255 bytes into a region of size 219 [-Wformat-overflow=] 2021-07-29T15:27:23,382 2443 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2021-07-29T15:27:23,383 | ^~ 2021-07-29T15:27:23,383 ...... 2021-07-29T15:27:23,383 2446 | FileNameAppend); 2021-07-29T15:27:23,383 | ~~~~~~~~~~~~~~ 2021-07-29T15:27:23,383 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:23,383 from src/framework.c:39: 2021-07-29T15:27:23,383 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 42 or more bytes (assuming 297) into a destination of size 256 2021-07-29T15:27:23,384 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:23,384 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:23,384 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:23,384 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:23,391 src/framework.c:2662:66: warning: ‘%s’ directive writing up to 255 bytes into a region of size 222 [-Wformat-overflow=] 2021-07-29T15:27:23,391 2662 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2021-07-29T15:27:23,391 | ^~ 2021-07-29T15:27:23,391 2663 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2021-07-29T15:27:23,392 | ~~~~~~~~~~~~~~ 2021-07-29T15:27:23,392 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:23,392 from src/framework.c:39: 2021-07-29T15:27:23,392 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 39 or more bytes (assuming 294) into a destination of size 256 2021-07-29T15:27:23,392 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:23,392 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:23,392 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:23,393 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:26,037 src/framework.c: In function ‘AddBondTypeToDefinitions’: 2021-07-29T15:27:26,041 src/framework.c:6736:7: warning: ‘NumberOfArguments’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:27:26,041 6736 | int NumberOfArguments; 2021-07-29T15:27:26,042 | ^~~~~~~~~~~~~~~~~ 2021-07-29T15:27:29,599 src/framework.c: In function ‘ReadFrameworkDefinition’: 2021-07-29T15:27:29,604 src/framework.c:8139:48: warning: ‘%s’ directive writing up to 255 bytes into a region of size 233 [-Wformat-overflow=] 2021-07-29T15:27:29,605 8139 | sprintf(buffer,"%s/share/raspa/framework/%s/%s.%s",RASPA_DIRECTORY, 2021-07-29T15:27:29,605 | ^~ 2021-07-29T15:27:29,605 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:29,605 from src/framework.c:39: 2021-07-29T15:27:29,605 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 38 or more bytes (assuming 293) into a destination of size 256 2021-07-29T15:27:29,605 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:29,605 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:29,606 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:29,606 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:29,611 src/framework.c:8144:50: warning: ‘%s’ directive writing up to 255 bytes into a region of size 233 [-Wformat-overflow=] 2021-07-29T15:27:29,611 8144 | sprintf(buffer,"%s/share/raspa/framework/%s/%s.%s",RASPA_DIRECTORY, 2021-07-29T15:27:29,612 | ^~ 2021-07-29T15:27:29,612 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:29,612 from src/framework.c:39: 2021-07-29T15:27:29,612 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 38 or more bytes (assuming 293) into a destination of size 256 2021-07-29T15:27:29,612 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:29,612 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:29,612 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:29,613 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:37,933 src/framework.c: In function ‘WriteAsymmetricUnitCell’: 2021-07-29T15:27:37,945 src/framework.c:12349:42: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 224 and 234 [-Wformat-overflow=] 2021-07-29T15:27:37,946 12349 | sprintf(buffer,"framework_asymmetric_%d%s.cssr",sp,FileNameAppend); 2021-07-29T15:27:37,946 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:27:37,946 In file included from /usr/include/stdio.h:867, 2021-07-29T15:27:37,946 from src/framework.c:39: 2021-07-29T15:27:37,946 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 28 and 293 bytes into a destination of size 256 2021-07-29T15:27:37,946 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:27:37,947 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:37,947 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:27:37,947 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:41,462 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 -Isrc -I/usr/include/python3.9 -c src/framework_born.c -o build/temp.linux-armv7l-3.9/src/framework_born.o 2021-07-29T15:27:41,685 src/framework_born.c: In function ‘CalculateFrameworkBendBornTerm’: 2021-07-29T15:27:41,686 src/framework_born.c:449:20: warning: variable ‘DF2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,687 449 | REAL DTDX,DF,DDF,DF2; 2021-07-29T15:27:41,687 | ^~~ 2021-07-29T15:27:41,687 src/framework_born.c:448:25: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,687 448 | VECTOR Rab,Rbc,Rac,fa,fb,fc; 2021-07-29T15:27:41,687 | ^~ 2021-07-29T15:27:41,696 src/framework_born.c: In function ‘CalculateFrameworkTorsionBornTerm’: 2021-07-29T15:27:41,696 src/framework_born.c:1056:11: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation] 2021-07-29T15:27:41,696 1056 | else 2021-07-29T15:27:41,696 | ^~~~ 2021-07-29T15:27:41,697 src/framework_born.c:1058:13: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’ 2021-07-29T15:27:41,697 1058 | DDF=-parms[0]*parms[1]*(parms[1]*cos(-parms[1]*Phi+parms[2])+sin(-parms[1]*Phi+parms[2])*CosPhi/SinPhi)/SQR(SinPhi); 2021-07-29T15:27:41,697 | ^~~ 2021-07-29T15:27:41,757 src/framework_born.c: In function ‘CalculateFrameworkIntraVDWBornTerm’: 2021-07-29T15:27:41,758 src/framework_born.c:2216:16: warning: variable ‘chargeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,759 2216 | REAL chargeA,chargeB,energy,DF,DDF; 2021-07-29T15:27:41,759 | ^~~~~~~ 2021-07-29T15:27:41,760 src/framework_born.c:2216:8: warning: variable ‘chargeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,760 2216 | REAL chargeA,chargeB,energy,DF,DDF; 2021-07-29T15:27:41,760 | ^~~~~~~ 2021-07-29T15:27:41,762 src/framework_born.c: In function ‘CalculateFrameworkIntraChargeChargeBornTerm’: 2021-07-29T15:27:41,764 src/framework_born.c:2297:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,764 2297 | int i,j,typeA,typeB,start; 2021-07-29T15:27:41,764 | ^~~~~ 2021-07-29T15:27:41,765 src/framework_born.c:2297:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,765 2297 | int i,j,typeA,typeB,start; 2021-07-29T15:27:41,765 | ^~~~~ 2021-07-29T15:27:41,769 src/framework_born.c: In function ‘FrameworkAdsorbateChargeChargeBornTerm’: 2021-07-29T15:27:41,771 src/framework_born.c:2532:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,771 2532 | int typeA,typeB; 2021-07-29T15:27:41,771 | ^~~~~ 2021-07-29T15:27:41,772 src/framework_born.c:2532:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,772 2532 | int typeA,typeB; 2021-07-29T15:27:41,773 | ^~~~~ 2021-07-29T15:27:41,774 src/framework_born.c: In function ‘FrameworkCationChargeChargeBornTerm’: 2021-07-29T15:27:41,775 src/framework_born.c:2608:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,775 2608 | int typeA,typeB; 2021-07-29T15:27:41,775 | ^~~~~ 2021-07-29T15:27:41,777 src/framework_born.c:2608:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,777 2608 | int typeA,typeB; 2021-07-29T15:27:41,777 | ^~~~~ 2021-07-29T15:27:41,781 src/framework_born.c: In function ‘CalculateFrameworkIntraReplicaVDWBornTerm’: 2021-07-29T15:27:41,783 src/framework_born.c:2684:16: warning: variable ‘chargeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,783 2684 | REAL chargeA,chargeB,energy,DF,DDF; 2021-07-29T15:27:41,783 | ^~~~~~~ 2021-07-29T15:27:41,784 src/framework_born.c:2684:8: warning: variable ‘chargeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,785 2684 | REAL chargeA,chargeB,energy,DF,DDF; 2021-07-29T15:27:41,785 | ^~~~~~~ 2021-07-29T15:27:41,789 src/framework_born.c: In function ‘CalculateFrameworkIntraReplicaChargeChargeBornTerm’: 2021-07-29T15:27:41,791 src/framework_born.c:2801:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,791 2801 | int i,j,typeA,typeB,start; 2021-07-29T15:27:41,791 | ^~~~~ 2021-07-29T15:27:41,792 src/framework_born.c:2801:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,793 2801 | int i,j,typeA,typeB,start; 2021-07-29T15:27:41,793 | ^~~~~ 2021-07-29T15:27:41,798 src/framework_born.c: In function ‘FrameworkAdsorbateReplicaChargeChargeBornTerm’: 2021-07-29T15:27:41,799 src/framework_born.c:3100:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,799 3100 | REAL r,rr; 2021-07-29T15:27:41,800 | ^ 2021-07-29T15:27:41,801 src/framework_born.c:3098:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,801 3098 | int typeA,typeB; 2021-07-29T15:27:41,802 | ^~~~~ 2021-07-29T15:27:41,803 src/framework_born.c:3098:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,803 3098 | int typeA,typeB; 2021-07-29T15:27:41,804 | ^~~~~ 2021-07-29T15:27:41,805 src/framework_born.c: In function ‘FrameworkCationReplicaChargeChargeBornTerm’: 2021-07-29T15:27:41,807 src/framework_born.c:3187:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,807 3187 | int typeA,typeB; 2021-07-29T15:27:41,807 | ^~~~~ 2021-07-29T15:27:41,809 src/framework_born.c:3187:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:41,809 3187 | int typeA,typeB; 2021-07-29T15:27:41,810 | ^~~~~ 2021-07-29T15:27:54,089 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 -Isrc -I/usr/include/python3.9 -c src/framework_energy.c -o build/temp.linux-armv7l-3.9/src/framework_energy.o 2021-07-29T15:27:54,278 src/framework_energy.c: In function ‘CalculateFrameworkChargeEnergyAtPosition’: 2021-07-29T15:27:54,278 src/framework_energy.c:178:9: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,279 178 | int i,typeB,f1,k; 2021-07-29T15:27:54,279 | ^~~~~ 2021-07-29T15:27:54,289 src/framework_energy.c: In function ‘CalculateFrameworkBendEnergy’: 2021-07-29T15:27:54,290 src/framework_energy.c:755:20: warning: variable ‘DTDX’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,290 755 | REAL rab,rbc,rac,DTDX,UHostBend; 2021-07-29T15:27:54,290 | ^~~~ 2021-07-29T15:27:54,290 src/framework_energy.c:754:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,290 754 | REAL CosTheta,Theta,SinTheta; 2021-07-29T15:27:54,290 | ^~~~~~~~ 2021-07-29T15:27:54,309 src/framework_energy.c: In function ‘CalculateFrameworkBondBendEnergy’: 2021-07-29T15:27:54,310 src/framework_energy.c:1694:19: warning: variable ‘sint’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,311 1694 | REAL cost,theta,sint; 2021-07-29T15:27:54,311 | ^~~~ 2021-07-29T15:27:54,313 src/framework_energy.c: In function ‘CalculateFrameworkBendBendEnergy’: 2021-07-29T15:27:54,314 src/framework_energy.c:1836:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,314 1836 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:27:54,314 | ^~~~~~~~~ 2021-07-29T15:27:54,315 src/framework_energy.c:1836:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,315 1836 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:27:54,315 | ^~~~~~~~~ 2021-07-29T15:27:54,317 src/framework_energy.c: In function ‘CalculateFrameworkBondTorsionEnergy’: 2021-07-29T15:27:54,318 src/framework_energy.c:1932:18: warning: variable ‘rcd’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,318 1932 | REAL U,rab,rbc,rcd; 2021-07-29T15:27:54,318 | ^~~ 2021-07-29T15:27:54,319 src/framework_energy.c:1932:10: warning: variable ‘rab’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,319 1932 | REAL U,rab,rbc,rcd; 2021-07-29T15:27:54,319 | ^~~ 2021-07-29T15:27:54,324 src/framework_energy.c: In function ‘CalculateFrameworkBendTorsionEnergy’: 2021-07-29T15:27:54,325 src/framework_energy.c:2038:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,325 2038 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:27:54,325 | ^~~~~~~~~ 2021-07-29T15:27:54,326 src/framework_energy.c:2038:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,326 2038 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:27:54,326 | ^~~~~~~~~ 2021-07-29T15:27:54,331 src/framework_energy.c: In function ‘CalculateFrameworkIntraChargeChargeEnergy’: 2021-07-29T15:27:54,332 src/framework_energy.c:2317:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,333 2317 | REAL alpha; 2021-07-29T15:27:54,333 | ^~~~~ 2021-07-29T15:27:54,334 src/framework_energy.c:2311:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,334 2311 | int i,j,typeA,typeB; 2021-07-29T15:27:54,334 | ^~~~~ 2021-07-29T15:27:54,335 src/framework_energy.c:2311:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,335 2311 | int i,j,typeA,typeB; 2021-07-29T15:27:54,336 | ^~~~~ 2021-07-29T15:27:54,338 src/framework_energy.c: In function ‘CalculateFrameworkIntraChargeBondDipoleEnergy’: 2021-07-29T15:27:54,340 src/framework_energy.c:2437:8: warning: variable ‘Bt1’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,340 2437 | REAL Bt1; 2021-07-29T15:27:54,340 | ^~~ 2021-07-29T15:27:54,344 src/framework_energy.c: In function ‘CalculateFrameworkIntraBondDipoleBondDipoleEnergy’: 2021-07-29T15:27:54,346 src/framework_energy.c:2555:8: warning: variable ‘Bt1’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,346 2555 | REAL Bt1,Bt2; 2021-07-29T15:27:54,346 | ^~~ 2021-07-29T15:27:54,349 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateVDWEnergy’: 2021-07-29T15:27:54,351 src/framework_energy.c:2691:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,351 2691 | int typeA,typeB,type; 2021-07-29T15:27:54,351 | ^~~~ 2021-07-29T15:27:54,354 src/framework_energy.c: In function ‘CalculateFrameworkCationVDWEnergy’: 2021-07-29T15:27:54,356 src/framework_energy.c:2796:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,356 2796 | int typeA,typeB,type; 2021-07-29T15:27:54,356 | ^~~~ 2021-07-29T15:27:54,358 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeChargeEnergy’: 2021-07-29T15:27:54,359 src/framework_energy.c:2901:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,359 2901 | int typeA,typeB,type; 2021-07-29T15:27:54,359 | ^~~~ 2021-07-29T15:27:54,361 src/framework_energy.c:2901:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,361 2901 | int typeA,typeB,type; 2021-07-29T15:27:54,361 | ^~~~~ 2021-07-29T15:27:54,363 src/framework_energy.c: In function ‘CalculateFrameworkCationChargeChargeEnergy’: 2021-07-29T15:27:54,364 src/framework_energy.c:2957:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,364 2957 | int typeA,typeB,type; 2021-07-29T15:27:54,365 | ^~~~ 2021-07-29T15:27:54,366 src/framework_energy.c:2957:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,366 2957 | int typeA,typeB,type; 2021-07-29T15:27:54,366 | ^~~~~ 2021-07-29T15:27:54,369 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeBondDipoleEnergy’: 2021-07-29T15:27:54,371 src/framework_energy.c:3018:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,371 3018 | REAL Bt0,Bt1; 2021-07-29T15:27:54,371 | ^~~ 2021-07-29T15:27:54,374 src/framework_energy.c: In function ‘CalculateFrameworkCationChargeBondDipoleEnergy’: 2021-07-29T15:27:54,376 src/framework_energy.c:3128:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,376 3128 | REAL Bt0,Bt1; 2021-07-29T15:27:54,376 | ^~~ 2021-07-29T15:27:54,378 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateBondDipoleBondDipoleEnergy’: 2021-07-29T15:27:54,380 src/framework_energy.c:3237:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,380 3237 | REAL Bt0,Bt1,Bt2; 2021-07-29T15:27:54,380 | ^~~ 2021-07-29T15:27:54,382 src/framework_energy.c: In function ‘CalculateFrameworkCationBondDipoleBondDipoleEnergy’: 2021-07-29T15:27:54,384 src/framework_energy.c:3310:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,384 3310 | REAL Bt0,Bt1,Bt2; 2021-07-29T15:27:54,384 | ^~~ 2021-07-29T15:27:54,392 src/framework_energy.c: In function ‘CalculateFrameworkShiftEnergyDifferenceAdsorbateCharge’: 2021-07-29T15:27:54,394 src/framework_energy.c:3420:19: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,394 3420 | int i,j,m,typeA,typeB; 2021-07-29T15:27:54,394 | ^~~~~ 2021-07-29T15:27:54,396 src/framework_energy.c:3420:13: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,396 3420 | int i,j,m,typeA,typeB; 2021-07-29T15:27:54,396 | ^~~~~ 2021-07-29T15:27:54,405 src/framework_energy.c: In function ‘CalculateFrameworkShiftEnergyDifferenceCationCharge’: 2021-07-29T15:27:54,407 src/framework_energy.c:3656:19: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,408 3656 | int i,j,m,typeA,typeB; 2021-07-29T15:27:54,408 | ^~~~~ 2021-07-29T15:27:54,410 src/framework_energy.c:3656:13: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,410 3656 | int i,j,m,typeA,typeB; 2021-07-29T15:27:54,410 | ^~~~~ 2021-07-29T15:27:54,424 src/framework_energy.c: In function ‘CalculateEnergyDifferenceFrameworkMoveCharge’: 2021-07-29T15:27:54,426 src/framework_energy.c:3935:20: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,426 3935 | int i,j,f1,typeA,typeB; 2021-07-29T15:27:54,426 | ^~~~~ 2021-07-29T15:27:54,428 src/framework_energy.c:3935:14: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,429 3935 | int i,j,f1,typeA,typeB; 2021-07-29T15:27:54,429 | ^~~~~ 2021-07-29T15:27:54,447 src/framework_energy.c: In function ‘CalculateFrameworkIntraReplicaChargeChargeEnergy’: 2021-07-29T15:27:54,450 src/framework_energy.c:4531:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,450 4531 | REAL alpha; 2021-07-29T15:27:54,450 | ^~~~~ 2021-07-29T15:27:54,452 src/framework_energy.c:4525:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,452 4525 | int i,j,typeA,typeB,start; 2021-07-29T15:27:54,453 | ^~~~~ 2021-07-29T15:27:54,455 src/framework_energy.c:4525:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,455 4525 | int i,j,typeA,typeB,start; 2021-07-29T15:27:54,455 | ^~~~~ 2021-07-29T15:27:54,456 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateReplicaVDWEnergy’: 2021-07-29T15:27:54,458 src/framework_energy.c:4624:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,458 4624 | int typeA,typeB,type; 2021-07-29T15:27:54,459 | ^~~~ 2021-07-29T15:27:54,459 src/framework_energy.c: In function ‘CalculateFrameworkCationReplicaVDWEnergy’: 2021-07-29T15:27:54,462 src/framework_energy.c:4674:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,462 4674 | int typeA,typeB,type; 2021-07-29T15:27:54,462 | ^~~~ 2021-07-29T15:27:54,464 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateReplicaChargeChargeEnergy’: 2021-07-29T15:27:54,467 src/framework_energy.c:4724:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,467 4724 | int typeA,typeB,type; 2021-07-29T15:27:54,467 | ^~~~ 2021-07-29T15:27:54,469 src/framework_energy.c:4724:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,470 4724 | int typeA,typeB,type; 2021-07-29T15:27:54,470 | ^~~~~ 2021-07-29T15:27:54,472 src/framework_energy.c: In function ‘CalculateFrameworkCationReplicaChargeChargeEnergy’: 2021-07-29T15:27:54,474 src/framework_energy.c:4785:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,475 4785 | int typeA,typeB,type; 2021-07-29T15:27:54,475 | ^~~~ 2021-07-29T15:27:54,477 src/framework_energy.c:4785:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,477 4785 | int typeA,typeB,type; 2021-07-29T15:27:54,478 | ^~~~~ 2021-07-29T15:27:54,552 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateVDWEnergyDifferenceNewRXCM’: 2021-07-29T15:27:54,556 src/framework_energy.c:7006:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,556 7006 | int RXMCMoleculeNumbers[256]; 2021-07-29T15:27:54,557 | ^~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:54,572 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeChargeEnergyDifferenceNewRXCM’: 2021-07-29T15:27:54,577 src/framework_energy.c:7209:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,577 7209 | int RXMCMoleculeNumbers[256]; 2021-07-29T15:27:54,577 | ^~~~~~~~~~~~~~~~~~~ 2021-07-29T15:27:54,577 src/framework_energy.c: In function ‘CalculateFrameworkElectrostaticPotential’: 2021-07-29T15:27:54,581 src/framework_energy.c:7288:9: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:27:54,581 7288 | int i,typeB,f; 2021-07-29T15:27:54,581 | ^~~~~ 2021-07-29T15:28:06,296 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateBondDipoleBondDipoleEnergyDifference’: 2021-07-29T15:28:06,300 src/framework_energy.c:6541:30: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:28:06,300 6541 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:28:06,301 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:06,304 src/framework_energy.c:6540:30: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:28:06,304 6540 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:28:06,304 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:06,308 src/framework_energy.c:6539:30: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:28:06,308 6539 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:28:06,308 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:06,312 src/framework_energy.c:6531:30: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:28:06,312 6531 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:28:06,312 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:06,316 src/framework_energy.c:6530:30: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:28:06,316 6530 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:28:06,316 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:06,319 src/framework_energy.c:6532:30: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:28:06,319 6532 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:28:06,319 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:06,691 src/framework_energy.c: In function ‘CalculateFrameworkCationBondDipoleBondDipoleEnergyDifference’: 2021-07-29T15:28:06,694 src/framework_energy.c:6771:30: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:28:06,695 6771 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:28:06,695 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:06,698 src/framework_energy.c:6770:30: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:28:06,699 6770 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:28:06,699 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:06,702 src/framework_energy.c:6769:30: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:28:06,703 6769 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:28:06,703 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:06,707 src/framework_energy.c:6761:30: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:28:06,707 6761 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:28:06,707 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:06,711 src/framework_energy.c:6760:30: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:28:06,711 6760 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:28:06,711 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:06,714 src/framework_energy.c:6762:30: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:28:06,714 6762 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:28:06,714 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:08,668 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 -Isrc -I/usr/include/python3.9 -c src/framework_force.c -o build/temp.linux-armv7l-3.9/src/framework_force.o 2021-07-29T15:28:08,875 src/framework_force.c: In function ‘CalculateFrameworkBendForce’: 2021-07-29T15:28:08,877 src/framework_force.c:538:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:08,877 538 | REAL CosTheta,Theta,SinTheta; 2021-07-29T15:28:08,877 | ^~~~~~~~ 2021-07-29T15:28:08,882 src/framework_force.c: In function ‘CalculateFrameworkInversionBendForce’: 2021-07-29T15:28:08,883 src/framework_force.c:901:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:08,883 901 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2021-07-29T15:28:08,883 | ^~~~ 2021-07-29T15:28:08,911 src/framework_force.c: In function ‘CalculateFrameworkBondBendForce’: 2021-07-29T15:28:08,911 src/framework_force.c:1937:39: warning: variable ‘vterm’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:08,912 1937 | REAL *parms,gamma,gamsa,gamsc,pterm,vterm; 2021-07-29T15:28:08,912 | ^~~~~ 2021-07-29T15:28:08,917 src/framework_force.c: In function ‘CalculateFrameworkBendBendForce’: 2021-07-29T15:28:08,917 src/framework_force.c:2139:13: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:08,917 2139 | VECTOR fa,fb,fc,fd; 2021-07-29T15:28:08,918 | ^~ 2021-07-29T15:28:08,956 src/framework_force.c: In function ‘CalculateFrameworkIntraChargeChargeForce’: 2021-07-29T15:28:08,958 src/framework_force.c:3501:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:08,958 3501 | REAL alpha; 2021-07-29T15:28:08,958 | ^~~~~ 2021-07-29T15:28:08,959 src/framework_force.c:3495:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:08,960 3495 | int i,j,typeA,typeB; 2021-07-29T15:28:08,960 | ^~~~~ 2021-07-29T15:28:08,961 src/framework_force.c:3495:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:08,961 3495 | int i,j,typeA,typeB; 2021-07-29T15:28:08,961 | ^~~~~ 2021-07-29T15:28:08,997 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateChargeChargeForce’: 2021-07-29T15:28:08,999 src/framework_force.c:4842:7: warning: variable ‘TypeMolA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:08,999 4842 | int TypeMolA; 2021-07-29T15:28:09,000 | ^~~~~~~~ 2021-07-29T15:28:09,002 src/framework_force.c:4837:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,002 4837 | int typeA,typeB; 2021-07-29T15:28:09,002 | ^~~~~ 2021-07-29T15:28:09,005 src/framework_force.c: In function ‘CalculateFrameworkCationChargeChargeForce’: 2021-07-29T15:28:09,007 src/framework_force.c:4933:7: warning: variable ‘TypeMolA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,007 4933 | int TypeMolA; 2021-07-29T15:28:09,007 | ^~~~~~~~ 2021-07-29T15:28:09,010 src/framework_force.c:4928:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,010 4928 | int typeA,typeB; 2021-07-29T15:28:09,010 | ^~~~~ 2021-07-29T15:28:09,034 src/framework_force.c: In function ‘CalculateFrameworkChargeChargeElectricFieldMC’: 2021-07-29T15:28:09,037 src/framework_force.c:5667:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,037 5667 | int typeA,typeB; 2021-07-29T15:28:09,037 | ^~~~~ 2021-07-29T15:28:09,039 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateElectricFieldFromInducedDipole’: 2021-07-29T15:28:09,042 src/framework_force.c:5824:7: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,042 5824 | int TypeB; 2021-07-29T15:28:09,042 | ^~~~~ 2021-07-29T15:28:09,044 src/framework_force.c: In function ‘CalculateFrameworkCationElectricFieldFromInducedDipole’: 2021-07-29T15:28:09,047 src/framework_force.c:5878:7: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,048 5878 | int TypeB; 2021-07-29T15:28:09,048 | ^~~~~ 2021-07-29T15:28:09,051 src/framework_force.c: In function ‘CalculateFrameworkMoleculeElectricFieldFromInducedDipoleMC’: 2021-07-29T15:28:09,054 src/framework_force.c:5932:7: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,055 5932 | int TypeB; 2021-07-29T15:28:09,055 | ^~~~~ 2021-07-29T15:28:09,058 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateChargeInducedDipoleForce’: 2021-07-29T15:28:09,061 src/framework_force.c:6069:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,061 6069 | REAL r,rr,chargeB; 2021-07-29T15:28:09,061 | ^ 2021-07-29T15:28:09,064 src/framework_force.c:6067:12: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,064 6067 | int Type,TypeA; 2021-07-29T15:28:09,065 | ^~~~~ 2021-07-29T15:28:09,068 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateInducedDipoleInducedDipoleForce’: 2021-07-29T15:28:09,071 src/framework_force.c:6169:7: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,071 6169 | int TypeB; 2021-07-29T15:28:09,071 | ^~~~~ 2021-07-29T15:28:09,086 src/framework_force.c: In function ‘CalculateFrameworkIntraReplicaChargeChargeForce’: 2021-07-29T15:28:09,090 src/framework_force.c:6424:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,090 6424 | REAL alpha,r; 2021-07-29T15:28:09,090 | ^~~~~ 2021-07-29T15:28:09,093 src/framework_force.c:6417:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,093 6417 | int i,j,typeA,typeB,start; 2021-07-29T15:28:09,094 | ^~~~~ 2021-07-29T15:28:09,097 src/framework_force.c:6417:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,097 6417 | int i,j,typeA,typeB,start; 2021-07-29T15:28:09,097 | ^~~~~ 2021-07-29T15:28:09,100 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateReplicaVDWForce’: 2021-07-29T15:28:09,103 src/framework_force.c:6599:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,103 6599 | int typeA,typeB,type; 2021-07-29T15:28:09,103 | ^~~~ 2021-07-29T15:28:09,105 src/framework_force.c: In function ‘CalculateFrameworkCationReplicaVDWForce’: 2021-07-29T15:28:09,108 src/framework_force.c:6718:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,109 6718 | int typeA,typeB,type; 2021-07-29T15:28:09,109 | ^~~~ 2021-07-29T15:28:09,115 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateReplicaChargeChargeForce’: 2021-07-29T15:28:09,118 src/framework_force.c:6837:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,119 6837 | int typeA,typeB,type; 2021-07-29T15:28:09,119 | ^~~~ 2021-07-29T15:28:09,122 src/framework_force.c:6837:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,122 6837 | int typeA,typeB,type; 2021-07-29T15:28:09,122 | ^~~~~ 2021-07-29T15:28:09,126 src/framework_force.c: In function ‘CalculateFrameworkCationReplicaChargeChargeForce’: 2021-07-29T15:28:09,130 src/framework_force.c:6959:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,130 6959 | int typeA,typeB,type; 2021-07-29T15:28:09,130 | ^~~~ 2021-07-29T15:28:09,134 src/framework_force.c:6959:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:09,134 6959 | int typeA,typeB,type; 2021-07-29T15:28:09,135 | ^~~~~ 2021-07-29T15:28:24,972 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 -Isrc -I/usr/include/python3.9 -c src/framework_hessian.c -o build/temp.linux-armv7l-3.9/src/framework_hessian.o 2021-07-29T15:28:25,183 src/framework_hessian.c: In function ‘CalculateDerivativesAtPositionReal’: 2021-07-29T15:28:25,183 src/framework_hessian.c:115:7: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,183 115 | int typeB; 2021-07-29T15:28:25,183 | ^~~~~ 2021-07-29T15:28:25,394 src/framework_hessian.c: In function ‘ComputeFrameworkAdsorbateVDWHessian’: 2021-07-29T15:28:25,396 src/framework_hessian.c:2140:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,396 2140 | REAL r,temp1,temp2,temp3; 2021-07-29T15:28:25,396 | ^ 2021-07-29T15:28:25,397 src/framework_hessian.c:2139:10: warning: variable ‘pos’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,397 2139 | VECTOR pos,comB; 2021-07-29T15:28:25,397 | ^~~ 2021-07-29T15:28:25,398 src/framework_hessian.c:2138:16: warning: variable ‘ChargeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,399 2138 | REAL ChargeA,ChargeB; 2021-07-29T15:28:25,399 | ^~~~~~~ 2021-07-29T15:28:25,400 src/framework_hessian.c:2138:8: warning: variable ‘ChargeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,400 2138 | REAL ChargeA,ChargeB; 2021-07-29T15:28:25,400 | ^~~~~~~ 2021-07-29T15:28:25,409 src/framework_hessian.c: In function ‘ComputeFrameworkAdsorbateChargeChargeHessian’: 2021-07-29T15:28:25,411 src/framework_hessian.c:2317:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,411 2317 | REAL r,temp1,temp2,temp3; 2021-07-29T15:28:25,411 | ^ 2021-07-29T15:28:25,412 src/framework_hessian.c:2308:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,412 2308 | int typeA,typeB; 2021-07-29T15:28:25,413 | ^~~~~ 2021-07-29T15:28:25,414 src/framework_hessian.c:2308:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,414 2308 | int typeA,typeB; 2021-07-29T15:28:25,414 | ^~~~~ 2021-07-29T15:28:25,421 src/framework_hessian.c: In function ‘ComputeFrameworkCationVDWHessian’: 2021-07-29T15:28:25,423 src/framework_hessian.c:2501:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,423 2501 | REAL r,temp1,temp2,temp3; 2021-07-29T15:28:25,423 | ^ 2021-07-29T15:28:25,424 src/framework_hessian.c:2500:10: warning: variable ‘pos’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,424 2500 | VECTOR pos,comB; 2021-07-29T15:28:25,425 | ^~~ 2021-07-29T15:28:25,426 src/framework_hessian.c:2499:16: warning: variable ‘ChargeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,426 2499 | REAL ChargeA,ChargeB; 2021-07-29T15:28:25,426 | ^~~~~~~ 2021-07-29T15:28:25,427 src/framework_hessian.c:2499:8: warning: variable ‘ChargeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,428 2499 | REAL ChargeA,ChargeB; 2021-07-29T15:28:25,428 | ^~~~~~~ 2021-07-29T15:28:25,435 src/framework_hessian.c: In function ‘ComputeFrameworkCationChargeChargeHessian’: 2021-07-29T15:28:25,437 src/framework_hessian.c:2676:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,437 2676 | REAL r,temp1,temp2,temp3; 2021-07-29T15:28:25,437 | ^ 2021-07-29T15:28:25,438 src/framework_hessian.c:2667:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,439 2667 | int typeA,typeB; 2021-07-29T15:28:25,439 | ^~~~~ 2021-07-29T15:28:25,440 src/framework_hessian.c:2667:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,440 2667 | int typeA,typeB; 2021-07-29T15:28:25,440 | ^~~~~ 2021-07-29T15:28:25,466 src/framework_hessian.c: In function ‘ComputeFrameworkIntraChargeChargeHessian’: 2021-07-29T15:28:25,468 src/framework_hessian.c:3018:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,468 3018 | int i,j,typeA,typeB,f1,f2,start; 2021-07-29T15:28:25,468 | ^~~~~ 2021-07-29T15:28:25,470 src/framework_hessian.c:3018:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,470 3018 | int i,j,typeA,typeB,f1,f2,start; 2021-07-29T15:28:25,470 | ^~~~~ 2021-07-29T15:28:25,923 src/framework_hessian.c: In function ‘CalculateFrameworkInversionBendForces’: 2021-07-29T15:28:25,926 src/framework_hessian.c:5587:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:25,926 5587 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2021-07-29T15:28:25,926 | ^~~~ 2021-07-29T15:28:52,768 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 -Isrc -I/usr/include/python3.9 -c src/grids.c -o build/temp.linux-armv7l-3.9/src/grids.o 2021-07-29T15:28:52,998 src/grids.c: In function ‘MakeASCIGrid’: 2021-07-29T15:28:52,999 src/grids.c:302:23: warning: variable ‘TailEnergy’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:52,999 302 | REAL percent,teller,TailEnergy; 2021-07-29T15:28:52,999 | ^~~~~~~~~~ 2021-07-29T15:28:52,999 src/grids.c:301:21: warning: variable ‘save’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:52,999 301 | int i,j,k,l,typeA,save; 2021-07-29T15:28:52,999 | ^~~~ 2021-07-29T15:28:53,008 src/grids.c: In function ‘MakeGrid’: 2021-07-29T15:28:53,008 src/grids.c:434:23: warning: variable ‘TailEnergy’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:53,008 434 | REAL percent,teller,TailEnergy; 2021-07-29T15:28:53,008 | ^~~~~~~~~~ 2021-07-29T15:28:53,008 src/grids.c:433:15: warning: variable ‘tel2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:53,008 433 | int i,j,k,l,tel2,typeA,save; 2021-07-29T15:28:53,009 | ^~~~ 2021-07-29T15:28:53,010 src/grids.c: In function ‘WriteVDWGrid’: 2021-07-29T15:28:53,010 src/grids.c:695:7: warning: variable ‘ngrid’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:53,011 695 | int ngrid; 2021-07-29T15:28:53,011 | ^~~~~ 2021-07-29T15:28:53,015 src/grids.c: In function ‘WriteCoulombGrid’: 2021-07-29T15:28:53,015 src/grids.c:817:15: warning: variable ‘max_size’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:53,016 817 | int i,j,k,m,max_size; 2021-07-29T15:28:53,016 | ^~~~~~~~ 2021-07-29T15:28:53,079 src/grids.c: In function ‘FloodFillNonRecursivePockets’: 2021-07-29T15:28:53,081 src/grids.c:1963:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:53,081 1963 | REAL r; 2021-07-29T15:28:53,081 | ^ 2021-07-29T15:28:53,557 src/grids.c: In function ‘ReadCoulombGrid.part.0’: 2021-07-29T15:28:53,558 src/grids.c:902:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-29T15:28:53,558 902 | sprintf(buffer,"%s/share/raspa/grids/%s",RASPA_DIRECTORY,ForceField); 2021-07-29T15:28:53,558 | ^~ ~~~~~~~~~~ 2021-07-29T15:28:53,558 In file included from /usr/include/stdio.h:867, 2021-07-29T15:28:53,559 from src/grids.c:36: 2021-07-29T15:28:53,559 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 20 or more bytes (assuming 275) into a destination of size 256 2021-07-29T15:28:53,559 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:28:53,559 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,559 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:28:53,559 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,559 src/grids.c:903:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-29T15:28:53,559 903 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2021-07-29T15:28:53,560 | ^~ 2021-07-29T15:28:53,560 904 | RASPA_DIRECTORY, 2021-07-29T15:28:53,560 905 | ForceField, 2021-07-29T15:28:53,560 | ~~~~~~~~~~ 2021-07-29T15:28:53,560 src/grids.c:903:18: note: assuming directive output of 8 bytes 2021-07-29T15:28:53,560 903 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2021-07-29T15:28:53,560 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,561 In file included from /usr/include/stdio.h:867, 2021-07-29T15:28:53,561 from src/grids.c:36: 2021-07-29T15:28:53,561 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 53 or more bytes (assuming 313) into a destination of size 256 2021-07-29T15:28:53,561 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:28:53,561 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,561 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:28:53,561 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,923 src/grids.c: In function ‘WriteVDWGrid’: 2021-07-29T15:28:53,924 src/grids.c:709:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-29T15:28:53,924 709 | sprintf(buffer,"%s/share/raspa/grids/%s",RASPA_DIRECTORY,ForceField); 2021-07-29T15:28:53,924 | ^~ ~~~~~~~~~~ 2021-07-29T15:28:53,924 In file included from /usr/include/stdio.h:867, 2021-07-29T15:28:53,924 from src/grids.c:36: 2021-07-29T15:28:53,924 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 20 or more bytes (assuming 275) into a destination of size 256 2021-07-29T15:28:53,925 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:28:53,925 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,925 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:28:53,925 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,925 src/grids.c:711:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-29T15:28:53,925 711 | sprintf(buffer,"%s/share/raspa/grids/%s/%s",RASPA_DIRECTORY,ForceField,Framework[CurrentSystem].Name[0]); 2021-07-29T15:28:53,925 | ^~ ~~~~~~~~~~ 2021-07-29T15:28:53,925 In file included from /usr/include/stdio.h:867, 2021-07-29T15:28:53,926 from src/grids.c:36: 2021-07-29T15:28:53,926 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 21 or more bytes (assuming 276) into a destination of size 256 2021-07-29T15:28:53,926 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:28:53,926 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,926 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:28:53,926 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,926 src/grids.c:713:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-29T15:28:53,926 713 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2021-07-29T15:28:53,927 | ^~ ~~~~~~~~~~ 2021-07-29T15:28:53,927 src/grids.c:713:18: note: assuming directive output of 8 bytes 2021-07-29T15:28:53,927 713 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2021-07-29T15:28:53,927 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,927 In file included from /usr/include/stdio.h:867, 2021-07-29T15:28:53,927 from src/grids.c:36: 2021-07-29T15:28:53,927 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 25 or more bytes (assuming 285) into a destination of size 256 2021-07-29T15:28:53,927 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:28:53,927 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,928 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:28:53,928 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,928 src/grids.c:716:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-29T15:28:53,928 716 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2021-07-29T15:28:53,928 | ^~ 2021-07-29T15:28:53,928 717 | RASPA_DIRECTORY, 2021-07-29T15:28:53,928 718 | ForceField, 2021-07-29T15:28:53,929 | ~~~~~~~~~~ 2021-07-29T15:28:53,929 src/grids.c:716:18: note: assuming directive output of 8 bytes 2021-07-29T15:28:53,929 716 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2021-07-29T15:28:53,929 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,929 In file included from /usr/include/stdio.h:867, 2021-07-29T15:28:53,929 from src/grids.c:36: 2021-07-29T15:28:53,929 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 40 or more bytes (assuming 333) into a destination of size 256 2021-07-29T15:28:53,929 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:28:53,930 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:53,930 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:28:53,930 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,024 src/grids.c: In function ‘ReadVDWGrid’: 2021-07-29T15:28:54,024 src/grids.c:761:42: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-29T15:28:54,024 761 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2021-07-29T15:28:54,024 | ^~ 2021-07-29T15:28:54,024 762 | RASPA_DIRECTORY, 2021-07-29T15:28:54,025 763 | ForceField, 2021-07-29T15:28:54,025 | ~~~~~~~~~~ 2021-07-29T15:28:54,025 src/grids.c:761:20: note: assuming directive output of 8 bytes 2021-07-29T15:28:54,025 761 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2021-07-29T15:28:54,025 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,025 In file included from /usr/include/stdio.h:867, 2021-07-29T15:28:54,025 from src/grids.c:36: 2021-07-29T15:28:54,026 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 40 or more bytes (assuming 333) into a destination of size 256 2021-07-29T15:28:54,026 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:28:54,026 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,026 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:28:54,026 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,140 src/grids.c: In function ‘WriteCoulombGrid’: 2021-07-29T15:28:54,141 src/grids.c:835:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-29T15:28:54,141 835 | sprintf(buffer,"%s/share/raspa/grids/%s",RASPA_DIRECTORY,ForceField); 2021-07-29T15:28:54,141 | ^~ ~~~~~~~~~~ 2021-07-29T15:28:54,141 In file included from /usr/include/stdio.h:867, 2021-07-29T15:28:54,141 from src/grids.c:36: 2021-07-29T15:28:54,141 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 20 or more bytes (assuming 275) into a destination of size 256 2021-07-29T15:28:54,141 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:28:54,141 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,142 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:28:54,142 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,142 src/grids.c:837:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-29T15:28:54,142 837 | sprintf(buffer,"%s/share/raspa/grids/%s/%s",RASPA_DIRECTORY,ForceField,Framework[CurrentSystem].Name[0]); 2021-07-29T15:28:54,142 | ^~ ~~~~~~~~~~ 2021-07-29T15:28:54,142 In file included from /usr/include/stdio.h:867, 2021-07-29T15:28:54,142 from src/grids.c:36: 2021-07-29T15:28:54,142 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 21 or more bytes (assuming 276) into a destination of size 256 2021-07-29T15:28:54,142 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:28:54,143 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,143 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:28:54,143 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,143 src/grids.c:839:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-29T15:28:54,143 839 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2021-07-29T15:28:54,143 | ^~ ~~~~~~~~~~ 2021-07-29T15:28:54,143 src/grids.c:839:18: note: assuming directive output of 8 bytes 2021-07-29T15:28:54,143 839 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2021-07-29T15:28:54,143 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,144 In file included from /usr/include/stdio.h:867, 2021-07-29T15:28:54,144 from src/grids.c:36: 2021-07-29T15:28:54,144 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 25 or more bytes (assuming 285) into a destination of size 256 2021-07-29T15:28:54,144 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:28:54,144 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,144 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:28:54,144 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,144 src/grids.c:842:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-29T15:28:54,145 842 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d",RASPA_DIRECTORY,ForceField, 2021-07-29T15:28:54,145 | ^~ ~~~~~~~~~~ 2021-07-29T15:28:54,145 src/grids.c:842:18: note: assuming directive output of 8 bytes 2021-07-29T15:28:54,145 842 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d",RASPA_DIRECTORY,ForceField, 2021-07-29T15:28:54,145 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,145 In file included from /usr/include/stdio.h:867, 2021-07-29T15:28:54,145 from src/grids.c:36: 2021-07-29T15:28:54,145 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 31 or more bytes (assuming 291) into a destination of size 256 2021-07-29T15:28:54,145 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:28:54,145 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,146 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:28:54,146 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,146 src/grids.c:846:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2021-07-29T15:28:54,146 846 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2021-07-29T15:28:54,146 | ^~ 2021-07-29T15:28:54,146 847 | RASPA_DIRECTORY, 2021-07-29T15:28:54,146 848 | ForceField, 2021-07-29T15:28:54,147 | ~~~~~~~~~~ 2021-07-29T15:28:54,147 src/grids.c:846:18: note: assuming directive output of 8 bytes 2021-07-29T15:28:54,147 846 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2021-07-29T15:28:54,147 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,147 In file included from /usr/include/stdio.h:867, 2021-07-29T15:28:54,147 from src/grids.c:36: 2021-07-29T15:28:54,147 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 53 or more bytes (assuming 313) into a destination of size 256 2021-07-29T15:28:54,147 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:28:54,147 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:54,148 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:28:54,148 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:28:57,381 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 -Isrc -I/usr/include/python3.9 -c src/input.c -o build/temp.linux-armv7l-3.9/src/input.o 2021-07-29T15:28:58,532 src/input.c: In function ‘ReadRestartFile’: 2021-07-29T15:28:58,538 src/input.c:9052:7: warning: variable ‘extra_framework_boolean’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:28:58,538 9052 | int extra_framework_boolean; 2021-07-29T15:28:58,538 | ^~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:13,660 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 -Isrc -I/usr/include/python3.9 -c src/integrate.c -o build/temp.linux-armv7l-3.9/src/integrate.o 2021-07-29T15:30:14,090 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 -Isrc -I/usr/include/python3.9 -c src/integration.c -o build/temp.linux-armv7l-3.9/src/integration.o 2021-07-29T15:30:14,326 src/integration.c: In function ‘IntegrationLeapFrogAtomicVelocities’: 2021-07-29T15:30:14,327 src/integration.c:2056:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:14,327 2056 | int Type; 2021-07-29T15:30:14,327 | ^~~~ 2021-07-29T15:30:14,331 src/integration.c: In function ‘IntegrationLeapFrogAtomicPositionsAndQuaternions’: 2021-07-29T15:30:14,332 src/integration.c:2106:8: warning: variable ‘Mass’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:14,332 2106 | REAL Mass,eps,rnorm; 2021-07-29T15:30:14,332 | ^~~~ 2021-07-29T15:30:19,860 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 -Isrc -I/usr/include/python3.9 -c src/inter_born.c -o build/temp.linux-armv7l-3.9/src/inter_born.o 2021-07-29T15:30:20,080 src/inter_born.c: In function ‘ComputeInterChargeChargeBornTerm’: 2021-07-29T15:30:20,081 src/inter_born.c:444:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:20,081 444 | int typeA,typeB; 2021-07-29T15:30:20,081 | ^~~~~ 2021-07-29T15:30:20,082 src/inter_born.c:444:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:20,082 444 | int typeA,typeB; 2021-07-29T15:30:20,082 | ^~~~~ 2021-07-29T15:30:24,515 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 -Isrc -I/usr/include/python3.9 -c src/inter_energy.c -o build/temp.linux-armv7l-3.9/src/inter_energy.o 2021-07-29T15:30:24,746 src/inter_energy.c: In function ‘CalculateInterChargeChargeSelfEnergyCorrectionAdsorbateOld’: 2021-07-29T15:30:24,747 src/inter_energy.c:227:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,747 227 | int typeA,typeB; 2021-07-29T15:30:24,747 | ^~~~~ 2021-07-29T15:30:24,747 src/inter_energy.c:227:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,747 227 | int typeA,typeB; 2021-07-29T15:30:24,748 | ^~~~~ 2021-07-29T15:30:24,749 src/inter_energy.c: In function ‘CalculateInterChargeChargeSelfEnergyCorrectionCationOld’: 2021-07-29T15:30:24,750 src/inter_energy.c:275:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,750 275 | int typeA,typeB; 2021-07-29T15:30:24,750 | ^~~~~ 2021-07-29T15:30:24,751 src/inter_energy.c:275:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,751 275 | int typeA,typeB; 2021-07-29T15:30:24,751 | ^~~~~ 2021-07-29T15:30:24,752 src/inter_energy.c: In function ‘CalculateInterVDWEnergyAdsorbateAtPosition’: 2021-07-29T15:30:24,753 src/inter_energy.c:327:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,753 327 | int TypeMolB; 2021-07-29T15:30:24,753 | ^~~~~~~~ 2021-07-29T15:30:24,756 src/inter_energy.c: In function ‘CalculateInterChargeEnergyAdsorbateAtPosition’: 2021-07-29T15:30:24,757 src/inter_energy.c:395:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,757 395 | int i,j,l,typeB,B1,B2,TypeB; 2021-07-29T15:30:24,757 | ^~~~~ 2021-07-29T15:30:24,758 src/inter_energy.c: In function ‘CalculateInterVDWEnergyCationAtPosition’: 2021-07-29T15:30:24,759 src/inter_energy.c:540:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,759 540 | int TypeMolB; 2021-07-29T15:30:24,759 | ^~~~~~~~ 2021-07-29T15:30:24,762 src/inter_energy.c: In function ‘CalculateInterChargeEnergyCationAtPosition’: 2021-07-29T15:30:24,763 src/inter_energy.c:605:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,763 605 | int i,j,l,typeB,B1,B2,TypeB; 2021-07-29T15:30:24,763 | ^~~~~ 2021-07-29T15:30:24,770 src/inter_energy.c: In function ‘CalculateInterBondDipoleEnergyCationAtPosition’: 2021-07-29T15:30:24,771 src/inter_energy.c:888:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,771 888 | int TypeB,typeB; 2021-07-29T15:30:24,771 | ^~~~~ 2021-07-29T15:30:24,776 src/inter_energy.c: In function ‘CalculateTotalInterVDWEnergy’: 2021-07-29T15:30:24,777 src/inter_energy.c:1033:19: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,777 1033 | int typeA,typeB,TypeMolB; 2021-07-29T15:30:24,777 | ^~~~~~~~ 2021-07-29T15:30:24,784 src/inter_energy.c: In function ‘CalculateTotalInterChargeChargeCoulombEnergy’: 2021-07-29T15:30:24,785 src/inter_energy.c:1279:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,785 1279 | REAL r,r2; 2021-07-29T15:30:24,785 | ^ 2021-07-29T15:30:24,786 src/inter_energy.c:1278:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,786 1278 | int typeA,typeB; 2021-07-29T15:30:24,786 | ^~~~~ 2021-07-29T15:30:24,787 src/inter_energy.c:1278:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,787 1278 | int typeA,typeB; 2021-07-29T15:30:24,787 | ^~~~~ 2021-07-29T15:30:24,797 src/inter_energy.c: In function ‘CalculateTotalInterChargeBondDipoleCoulombEnergy’: 2021-07-29T15:30:24,798 src/inter_energy.c:1611:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,798 1611 | REAL Bt0,Bt1,Bt2; 2021-07-29T15:30:24,798 | ^~~ 2021-07-29T15:30:24,813 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbateNewRXCM’: 2021-07-29T15:30:24,815 src/inter_energy.c:2330:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,815 2330 | int RXMCMoleculeNumbers[256]; 2021-07-29T15:30:24,815 | ^~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:24,830 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbateNewRXCM’: 2021-07-29T15:30:24,831 src/inter_energy.c:2694:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,832 2694 | int RXMCMoleculeNumbers[256]; 2021-07-29T15:30:24,832 | ^~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:24,833 src/inter_energy.c:2687:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,834 2687 | int typeA,typeB; 2021-07-29T15:30:24,834 | ^~~~~ 2021-07-29T15:30:24,835 src/inter_energy.c:2687:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,836 2687 | int typeA,typeB; 2021-07-29T15:30:24,836 | ^~~~~ 2021-07-29T15:30:24,845 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbateRXCM’: 2021-07-29T15:30:24,847 src/inter_energy.c:2844:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,847 2844 | int typeA,typeB; 2021-07-29T15:30:24,847 | ^~~~~ 2021-07-29T15:30:24,849 src/inter_energy.c:2844:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,849 2844 | int typeA,typeB; 2021-07-29T15:30:24,849 | ^~~~~ 2021-07-29T15:30:24,859 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbate’: 2021-07-29T15:30:24,861 src/inter_energy.c:3076:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,861 3076 | int TypeMolB; 2021-07-29T15:30:24,861 | ^~~~~~~~ 2021-07-29T15:30:24,870 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceCation’: 2021-07-29T15:30:24,872 src/inter_energy.c:3365:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,872 3365 | int TypeMolB; 2021-07-29T15:30:24,873 | ^~~~~~~~ 2021-07-29T15:30:24,933 src/inter_energy.c: In function ‘CalculateInterChargeElectrostaticPotential’: 2021-07-29T15:30:24,937 src/inter_energy.c:6005:8: warning: variable ‘chargeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,937 6005 | REAL chargeB; 2021-07-29T15:30:24,937 | ^~~~~~~ 2021-07-29T15:30:24,941 src/inter_energy.c:6002:11: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,941 6002 | int i,j,typeB; 2021-07-29T15:30:24,941 | ^~~~~ 2021-07-29T15:30:24,944 src/inter_energy.c: In function ‘CalculateInterVDWEnergyCorrectionAdsorbate’: 2021-07-29T15:30:24,948 src/inter_energy.c:6068:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,948 6068 | int TypeMolB; 2021-07-29T15:30:24,948 | ^~~~~~~~ 2021-07-29T15:30:24,951 src/inter_energy.c: In function ‘CalculateInterVDWEnergyCorrectionCation’: 2021-07-29T15:30:24,955 src/inter_energy.c:6118:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:24,955 6118 | int TypeMolB; 2021-07-29T15:30:24,955 | ^~~~~~~~ 2021-07-29T15:30:31,808 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbate’: 2021-07-29T15:30:31,810 src/inter_energy.c:3289:54: warning: ‘scalingA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:31,811 3289 | UAdsorbateVDWDelta[CurrentSystem]-=PotentialValue(typeA,typeB,rr,scalingA_old*scalingB); 2021-07-29T15:30:31,811 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:31,813 src/inter_energy.c:3180:34: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:31,813 3180 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:31,813 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:31,815 src/inter_energy.c:3179:34: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:31,816 3179 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:31,816 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:31,818 src/inter_energy.c:3178:34: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:31,818 3178 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:31,818 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:31,820 src/inter_energy.c:3162:34: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:31,820 3162 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:31,820 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:31,823 src/inter_energy.c:3161:34: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:31,823 3161 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:31,823 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:31,825 src/inter_energy.c:3160:34: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:31,825 3160 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:31,825 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:31,827 src/inter_energy.c:3167:28: warning: ‘scalingA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:31,827 3167 | energy=PotentialValue(typeA,typeB,rr,scalingA_new*scalingB); 2021-07-29T15:30:31,827 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,311 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceCation’: 2021-07-29T15:30:32,313 src/inter_energy.c:3579:51: warning: ‘scalingA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,313 3579 | UCationVDWDelta[CurrentSystem]-=PotentialValue(typeA,typeB,rr,scalingA_old*scalingB); 2021-07-29T15:30:32,313 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,316 src/inter_energy.c:3469:34: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,316 3469 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:32,316 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,318 src/inter_energy.c:3468:34: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,318 3468 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:32,318 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,321 src/inter_energy.c:3467:34: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,321 3467 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:32,321 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,323 src/inter_energy.c:3451:34: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,323 3451 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:32,324 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,326 src/inter_energy.c:3450:34: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,326 3450 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:32,326 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,328 src/inter_energy.c:3449:34: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,328 3449 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:32,329 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,331 src/inter_energy.c:3456:28: warning: ‘scalingA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,331 3456 | energy=PotentialValue(typeA,typeB,rr,scalingA_new*scalingB); 2021-07-29T15:30:32,331 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,827 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbate’: 2021-07-29T15:30:32,829 src/inter_energy.c:3860:67: warning: ‘chargeA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,829 3860 | UAdsorbateChargeChargeRealDelta[CurrentSystem]-=PotentialValueCoulombic(chargeA_old,chargeB,sqrt(r2)); 2021-07-29T15:30:32,829 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,832 src/inter_energy.c:3756:34: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,832 3756 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:32,832 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,835 src/inter_energy.c:3755:34: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,835 3755 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:32,835 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,837 src/inter_energy.c:3754:34: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,837 3754 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:32,838 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,840 src/inter_energy.c:3738:34: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,840 3738 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:32,840 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,843 src/inter_energy.c:3737:34: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,843 3737 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:32,843 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,845 src/inter_energy.c:3736:34: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,846 3736 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:32,846 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:32,848 src/inter_energy.c:3743:28: warning: ‘chargeA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:32,848 3743 | energy=PotentialValueCoulombic(chargeA_new,chargeB,sqrt(r2)); 2021-07-29T15:30:32,848 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:33,375 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceCation’: 2021-07-29T15:30:33,377 src/inter_energy.c:4027:34: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:33,377 4027 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:33,377 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:33,380 src/inter_energy.c:4026:34: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:33,380 4026 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:33,380 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:33,383 src/inter_energy.c:4025:34: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:33,383 4025 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:33,383 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:33,386 src/inter_energy.c:4031:66: warning: ‘chargeA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:33,386 4031 | UCationChargeChargeRealDelta[CurrentSystem]-=PotentialValueCoulombic(chargeA_old,chargeB,sqrt(r2)); 2021-07-29T15:30:33,386 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:33,389 src/inter_energy.c:4017:66: warning: ‘chargeA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:33,389 4017 | UCationChargeChargeRealDelta[CurrentSystem]+=PotentialValueCoulombic(chargeA_new,chargeB,sqrt(r2)); 2021-07-29T15:30:33,389 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:34,029 src/inter_energy.c: In function ‘CalculateInterChargeBondDipoleEnergyDifferenceAdsorbate’: 2021-07-29T15:30:34,032 src/inter_energy.c:4419:36: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:34,032 4419 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:34,032 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:34,035 src/inter_energy.c:4418:36: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:34,035 4418 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:34,035 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:34,038 src/inter_energy.c:4417:36: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:34,038 4417 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:34,038 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:34,041 src/inter_energy.c:4404:36: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:34,042 4404 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:34,042 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:34,045 src/inter_energy.c:4403:36: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:34,045 4403 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:34,045 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:34,048 src/inter_energy.c:4402:36: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:34,048 4402 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:34,048 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:34,051 src/inter_energy.c:4277:73: warning: ‘chargeA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:34,051 4277 | UAdsorbateChargeBondDipoleRealDelta[CurrentSystem]-=PotentialValueChargeBondDipole(chargeA_old,dipoleB,dr,sqrt(rr)); 2021-07-29T15:30:34,051 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:34,054 src/inter_energy.c:4262:73: warning: ‘chargeA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:34,054 4262 | UAdsorbateChargeBondDipoleRealDelta[CurrentSystem]+=PotentialValueChargeBondDipole(chargeA_new,dipoleB,dr,sqrt(rr)); 2021-07-29T15:30:34,054 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:35,133 src/inter_energy.c: In function ‘CalculateInterBondDipoleBondDipoleEnergyDifferenceAdsorbate’: 2021-07-29T15:30:35,136 src/inter_energy.c:4918:30: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:35,136 4918 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:35,136 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:35,139 src/inter_energy.c:4916:30: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:35,140 4916 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:35,140 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:35,143 src/inter_energy.c:4917:30: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:35,143 4917 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:35,143 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:35,956 src/inter_energy.c: In function ‘CalculateInterChargeBondDipoleEnergyDifferenceCation’: 2021-07-29T15:30:35,959 src/inter_energy.c:5337:36: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:35,959 5337 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:35,959 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:35,963 src/inter_energy.c:5336:36: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:35,963 5336 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:35,963 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:35,967 src/inter_energy.c:5335:36: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:35,967 5335 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:35,967 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:35,970 src/inter_energy.c:5322:36: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:35,971 5322 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:35,971 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:35,974 src/inter_energy.c:5321:36: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:35,974 5321 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:35,974 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:35,978 src/inter_energy.c:5320:36: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:35,978 5320 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:35,978 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:35,981 src/inter_energy.c:5195:70: warning: ‘chargeA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:35,982 5195 | UCationChargeBondDipoleRealDelta[CurrentSystem]-=PotentialValueChargeBondDipole(chargeA_old,dipoleB,dr,sqrt(rr)); 2021-07-29T15:30:35,982 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:35,985 src/inter_energy.c:5180:70: warning: ‘chargeA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:35,985 5180 | UCationChargeBondDipoleRealDelta[CurrentSystem]+=PotentialValueChargeBondDipole(chargeA_new,dipoleB,dr,sqrt(rr)); 2021-07-29T15:30:35,985 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:37,074 src/inter_energy.c: In function ‘CalculateInterBondDipoleBondDipoleEnergyDifferenceCation’: 2021-07-29T15:30:37,077 src/inter_energy.c:5836:30: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:37,077 5836 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2021-07-29T15:30:37,077 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:37,081 src/inter_energy.c:5834:30: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:37,081 5834 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2021-07-29T15:30:37,082 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:37,085 src/inter_energy.c:5835:30: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:30:37,085 5835 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2021-07-29T15:30:37,085 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:30:38,536 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 -Isrc -I/usr/include/python3.9 -c src/inter_force.c -o build/temp.linux-armv7l-3.9/src/inter_force.o 2021-07-29T15:30:38,756 src/inter_force.c: In function ‘CalculateTotalInterChargeChargeCoulombForce’: 2021-07-29T15:30:38,756 src/inter_force.c:963:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,756 963 | int typeA,typeB; 2021-07-29T15:30:38,757 | ^~~~~ 2021-07-29T15:30:38,757 src/inter_force.c:963:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,757 963 | int typeA,typeB; 2021-07-29T15:30:38,757 | ^~~~~ 2021-07-29T15:30:38,781 src/inter_force.c: In function ‘CalculateTotalInterChargeChargeCoulombElectricFieldMC’: 2021-07-29T15:30:38,782 src/inter_force.c:1916:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,782 1916 | REAL r,rr; 2021-07-29T15:30:38,782 | ^ 2021-07-29T15:30:38,783 src/inter_force.c:1915:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,783 1915 | int typeA,typeB; 2021-07-29T15:30:38,783 | ^~~~~ 2021-07-29T15:30:38,784 src/inter_force.c:1915:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,784 1915 | int typeA,typeB; 2021-07-29T15:30:38,784 | ^~~~~ 2021-07-29T15:30:38,788 src/inter_force.c: In function ‘CalculateInterElectricFieldFromInducedDipoles’: 2021-07-29T15:30:38,789 src/inter_force.c:2172:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,789 2172 | REAL r,rr; 2021-07-29T15:30:38,789 | ^ 2021-07-29T15:30:38,790 src/inter_force.c:2170:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,790 2170 | int TypeA,TypeB; 2021-07-29T15:30:38,790 | ^~~~~ 2021-07-29T15:30:38,792 src/inter_force.c:2170:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,792 2170 | int TypeA,TypeB; 2021-07-29T15:30:38,792 | ^~~~~ 2021-07-29T15:30:38,796 src/inter_force.c: In function ‘CalculateInterElectricFieldFromInducedDipoleMC’: 2021-07-29T15:30:38,798 src/inter_force.c:2307:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,798 2307 | int TypeA,TypeB; 2021-07-29T15:30:38,798 | ^~~~~ 2021-07-29T15:30:38,799 src/inter_force.c:2307:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,799 2307 | int TypeA,TypeB; 2021-07-29T15:30:38,799 | ^~~~~ 2021-07-29T15:30:38,804 src/inter_force.c: In function ‘CalculateInterChargeInducedDipoleForce’: 2021-07-29T15:30:38,805 src/inter_force.c:2539:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,806 2539 | REAL Bt0,Bt1,Bt2; 2021-07-29T15:30:38,806 | ^~~ 2021-07-29T15:30:38,819 src/inter_force.c: In function ‘CalculateTotalInterReplicaVDWForce’: 2021-07-29T15:30:38,821 src/inter_force.c:2833:28: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,821 2833 | int typeA,typeB,TypeMolA,TypeMolB; 2021-07-29T15:30:38,821 | ^~~~~~~~ 2021-07-29T15:30:38,822 src/inter_force.c:2833:19: warning: variable ‘TypeMolA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,823 2833 | int typeA,typeB,TypeMolA,TypeMolB; 2021-07-29T15:30:38,823 | ^~~~~~~~ 2021-07-29T15:30:38,833 src/inter_force.c: In function ‘CalculateTotalInterReplicaChargeChargeCoulombForce’: 2021-07-29T15:30:38,835 src/inter_force.c:3165:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,835 3165 | REAL r,rr; 2021-07-29T15:30:38,835 | ^ 2021-07-29T15:30:38,837 src/inter_force.c:3164:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,837 3164 | int typeA,typeB; 2021-07-29T15:30:38,837 | ^~~~~ 2021-07-29T15:30:38,838 src/inter_force.c:3164:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:38,839 3164 | int typeA,typeB; 2021-07-29T15:30:38,839 | ^~~~~ 2021-07-29T15:30:47,200 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 -Isrc -I/usr/include/python3.9 -c src/inter_hessian.c -o build/temp.linux-armv7l-3.9/src/inter_hessian.o 2021-07-29T15:30:47,855 src/inter_hessian.c: In function ‘PreComputeRotationDerivatives’: 2021-07-29T15:30:47,857 src/inter_hessian.c:3477:18: warning: variable ‘RotationMatrix’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:47,857 3477 | REAL_MATRIX3x3 RotationMatrix; 2021-07-29T15:30:47,857 | ^~~~~~~~~~~~~~ 2021-07-29T15:30:47,860 src/inter_hessian.c:3476:10: warning: variable ‘com’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:47,860 3476 | VECTOR com,pos,p; 2021-07-29T15:30:47,860 | ^~~ 2021-07-29T15:30:47,902 src/inter_hessian.c: In function ‘ComputeInterVDWMolecularHessian’: 2021-07-29T15:30:47,905 src/inter_hessian.c:3642:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:47,905 3642 | REAL r,temp1,temp2,temp3; 2021-07-29T15:30:47,905 | ^ 2021-07-29T15:30:47,952 src/inter_hessian.c: In function ‘ComputeInterChargeChargeMolecularHessian’: 2021-07-29T15:30:47,956 src/inter_hessian.c:4230:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:47,956 4230 | REAL r,temp1,temp2,temp3; 2021-07-29T15:30:47,956 | ^ 2021-07-29T15:30:47,959 src/inter_hessian.c:4222:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:47,959 4222 | int typeA,typeB; 2021-07-29T15:30:47,959 | ^~~~~ 2021-07-29T15:30:47,962 src/inter_hessian.c:4222:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:47,962 4222 | int typeA,typeB; 2021-07-29T15:30:47,962 | ^~~~~ 2021-07-29T15:30:47,971 src/inter_hessian.c: In function ‘CalculateBondConstraintExclusionHessian’: 2021-07-29T15:30:47,974 src/inter_hessian.c:4814:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:30:47,974 4814 | REAL r,rr; 2021-07-29T15:30:47,975 | ^ 2021-07-29T15:31:02,938 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 -Isrc -I/usr/include/python3.9 -c src/internal_born.c -o build/temp.linux-armv7l-3.9/src/internal_born.o 2021-07-29T15:31:03,293 src/internal_born.c: In function ‘CalculateAdsorbateIntraCoulombBornTerm’: 2021-07-29T15:31:03,295 src/internal_born.c:4407:48: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:03,295 4407 | int i,m,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-29T15:31:03,295 | ^~~~~ 2021-07-29T15:31:03,295 src/internal_born.c:4407:42: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:03,295 4407 | int i,m,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-29T15:31:03,296 | ^~~~~ 2021-07-29T15:31:03,297 src/internal_born.c: In function ‘CalculateCationIntraCoulombBornTerm’: 2021-07-29T15:31:03,297 src/internal_born.c:4490:48: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:03,298 4490 | int i,m,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-29T15:31:03,298 | ^~~~~ 2021-07-29T15:31:03,299 src/internal_born.c:4490:42: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:03,299 4490 | int i,m,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-29T15:31:03,299 | ^~~~~ 2021-07-29T15:31:22,939 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 -Isrc -I/usr/include/python3.9 -c src/internal_energy.c -o build/temp.linux-armv7l-3.9/src/internal_energy.o 2021-07-29T15:31:23,375 src/internal_energy.c: In function ‘CalculateBendEnergy’: 2021-07-29T15:31:23,376 src/internal_energy.c:1173:20: warning: variable ‘energy’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,377 1173 | REAL rab,rbc,rac,energy; 2021-07-29T15:31:23,377 | ^~~~~~ 2021-07-29T15:31:23,433 src/internal_energy.c: In function ‘CalculateBendBendEnergy’: 2021-07-29T15:31:23,435 src/internal_energy.c:4166:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,435 4166 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:31:23,435 | ^~~~~~~~~ 2021-07-29T15:31:23,436 src/internal_energy.c:4166:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,437 4166 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:31:23,437 | ^~~~~~~~~ 2021-07-29T15:31:23,439 src/internal_energy.c: In function ‘CalculateBendBendEnergyAdsorbate’: 2021-07-29T15:31:23,440 src/internal_energy.c:4248:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,440 4248 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:31:23,440 | ^~~~~~~~~ 2021-07-29T15:31:23,442 src/internal_energy.c:4248:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,442 4248 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:31:23,442 | ^~~~~~~~~ 2021-07-29T15:31:23,444 src/internal_energy.c: In function ‘CalculateBendBendEnergyCation’: 2021-07-29T15:31:23,446 src/internal_energy.c:4342:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,446 4342 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:31:23,446 | ^~~~~~~~~ 2021-07-29T15:31:23,448 src/internal_energy.c:4342:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,448 4342 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:31:23,448 | ^~~~~~~~~ 2021-07-29T15:31:23,450 src/internal_energy.c: In function ‘CalculateBondTorsionEnergy’: 2021-07-29T15:31:23,451 src/internal_energy.c:4432:16: warning: variable ‘rcd’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,451 4432 | REAL rab,rbc,rcd,temp; 2021-07-29T15:31:23,451 | ^~~ 2021-07-29T15:31:23,453 src/internal_energy.c:4432:8: warning: variable ‘rab’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,453 4432 | REAL rab,rbc,rcd,temp; 2021-07-29T15:31:23,453 | ^~~ 2021-07-29T15:31:23,455 src/internal_energy.c: In function ‘CalculateBondTorsionEnergyAdsorbate’: 2021-07-29T15:31:23,456 src/internal_energy.c:4518:29: warning: variable ‘rcd’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,457 4518 | REAL UBondTorsion,rab,rbc,rcd,temp; 2021-07-29T15:31:23,457 | ^~~ 2021-07-29T15:31:23,458 src/internal_energy.c:4518:21: warning: variable ‘rab’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,458 4518 | REAL UBondTorsion,rab,rbc,rcd,temp; 2021-07-29T15:31:23,459 | ^~~ 2021-07-29T15:31:23,460 src/internal_energy.c: In function ‘CalculateBondTorsionEnergyCation’: 2021-07-29T15:31:23,462 src/internal_energy.c:4613:29: warning: variable ‘rcd’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,462 4613 | REAL UBondTorsion,rab,rbc,rcd,temp; 2021-07-29T15:31:23,462 | ^~~ 2021-07-29T15:31:23,464 src/internal_energy.c:4613:21: warning: variable ‘rab’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,464 4613 | REAL UBondTorsion,rab,rbc,rcd,temp; 2021-07-29T15:31:23,464 | ^~~ 2021-07-29T15:31:23,468 src/internal_energy.c: In function ‘CalculateBendTorsionEnergy’: 2021-07-29T15:31:23,470 src/internal_energy.c:4712:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,470 4712 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:31:23,470 | ^~~~~~~~~ 2021-07-29T15:31:23,472 src/internal_energy.c:4712:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,472 4712 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:31:23,472 | ^~~~~~~~~ 2021-07-29T15:31:23,476 src/internal_energy.c: In function ‘CalculateBendTorsionEnergyAdsorbate’: 2021-07-29T15:31:23,477 src/internal_energy.c:4868:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,478 4868 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:31:23,478 | ^~~~~~~~~ 2021-07-29T15:31:23,479 src/internal_energy.c:4868:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,480 4868 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:31:23,480 | ^~~~~~~~~ 2021-07-29T15:31:23,484 src/internal_energy.c: In function ‘CalculateBendTorsionEnergyCation’: 2021-07-29T15:31:23,486 src/internal_energy.c:5035:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,486 5035 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:31:23,486 | ^~~~~~~~~ 2021-07-29T15:31:23,488 src/internal_energy.c:5035:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,488 5035 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2021-07-29T15:31:23,488 | ^~~~~~~~~ 2021-07-29T15:31:23,491 src/internal_energy.c: In function ‘CalculateIntraChargeChargeEnergyAdsorbate’: 2021-07-29T15:31:23,493 src/internal_energy.c:5278:53: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,493 5278 | int i,NumberOfIntraChargeChargeCoulomb,Type,TypeA,TypeB,A,B; 2021-07-29T15:31:23,494 | ^~~~~ 2021-07-29T15:31:23,496 src/internal_energy.c:5278:47: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,496 5278 | int i,NumberOfIntraChargeChargeCoulomb,Type,TypeA,TypeB,A,B; 2021-07-29T15:31:23,496 | ^~~~~ 2021-07-29T15:31:23,497 src/internal_energy.c: In function ‘CalculateIntraChargeChargeEnergyCation’: 2021-07-29T15:31:23,500 src/internal_energy.c:5323:53: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,500 5323 | int i,NumberOfIntraChargeChargeCoulomb,Type,TypeA,TypeB,A,B; 2021-07-29T15:31:23,500 | ^~~~~ 2021-07-29T15:31:23,502 src/internal_energy.c:5323:47: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,502 5323 | int i,NumberOfIntraChargeChargeCoulomb,Type,TypeA,TypeB,A,B; 2021-07-29T15:31:23,502 | ^~~~~ 2021-07-29T15:31:23,509 src/internal_energy.c: In function ‘CalculateIntraBondDipoleBondDipoleEnergyAdsorbate’: 2021-07-29T15:31:23,511 src/internal_energy.c:5496:20: warning: variable ‘Bt3’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,511 5496 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2021-07-29T15:31:23,512 | ^~~ 2021-07-29T15:31:23,514 src/internal_energy.c:5496:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,514 5496 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2021-07-29T15:31:23,514 | ^~~ 2021-07-29T15:31:23,516 src/internal_energy.c: In function ‘CalculateIntraBondDipoleBondDipoleEnergyCation’: 2021-07-29T15:31:23,519 src/internal_energy.c:5577:20: warning: variable ‘Bt3’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,519 5577 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2021-07-29T15:31:23,519 | ^~~ 2021-07-29T15:31:23,521 src/internal_energy.c:5577:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,522 5577 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2021-07-29T15:31:23,522 | ^~~ 2021-07-29T15:31:23,525 src/internal_energy.c: In function ‘CalculateHarmonicDihedralConstraintEnergy’: 2021-07-29T15:31:23,527 src/internal_energy.c:5747:19: warning: variable ‘CosPhi2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:23,527 5747 | REAL CosPhi,Phi,CosPhi2,U; 2021-07-29T15:31:23,528 | ^~~~~~~ 2021-07-29T15:31:29,520 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 -Isrc -I/usr/include/python3.9 -c src/internal_force.c -o build/temp.linux-armv7l-3.9/src/internal_force.o 2021-07-29T15:31:29,703 src/internal_force.c: In function ‘ReturnDihedralAngle’: 2021-07-29T15:31:29,705 src/internal_force.c:98:12: warning: variable ‘v’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,705 98 | REAL u,w,v; 2021-07-29T15:31:29,705 | ^ 2021-07-29T15:31:29,706 src/internal_force.c:98:10: warning: variable ‘w’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,706 98 | REAL u,w,v; 2021-07-29T15:31:29,706 | ^ 2021-07-29T15:31:29,706 src/internal_force.c:98:8: warning: variable ‘u’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,706 98 | REAL u,w,v; 2021-07-29T15:31:29,706 | ^ 2021-07-29T15:31:29,708 src/internal_force.c: In function ‘ReturnInversionBendAngle’: 2021-07-29T15:31:29,708 src/internal_force.c:180:18: warning: variable ‘ChiD’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,708 180 | REAL ChiA,ChiC,ChiD; 2021-07-29T15:31:29,708 | ^~~~ 2021-07-29T15:31:29,709 src/internal_force.c:180:13: warning: variable ‘ChiC’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,709 180 | REAL ChiA,ChiC,ChiD; 2021-07-29T15:31:29,709 | ^~~~ 2021-07-29T15:31:29,715 src/internal_force.c: In function ‘ReturnWilsonVectorsInversionBend’: 2021-07-29T15:31:29,716 src/internal_force.c:392:8: warning: variable ‘ThetaD’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,716 392 | REAL ThetaD,SinThetaD,CosThetaD,ChiD,CosChiD,TanChiD; 2021-07-29T15:31:29,716 | ^~~~~~ 2021-07-29T15:31:29,716 src/internal_force.c:391:8: warning: variable ‘ThetaC’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,716 391 | REAL ThetaC,SinThetaC,CosThetaC,ChiC,CosChiC,TanChiC; 2021-07-29T15:31:29,717 | ^~~~~~ 2021-07-29T15:31:29,717 src/internal_force.c:390:8: warning: variable ‘ThetaA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,717 390 | REAL ThetaA,SinThetaA,CosThetaA,ChiA,CosChiA,TanChiA; 2021-07-29T15:31:29,717 | ^~~~~~ 2021-07-29T15:31:29,740 src/internal_force.c: In function ‘CalculateAdsorbateBendForce’: 2021-07-29T15:31:29,740 src/internal_force.c:1182:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,740 1182 | REAL CosTheta,Theta,SinTheta; 2021-07-29T15:31:29,741 | ^~~~~~~~ 2021-07-29T15:31:29,748 src/internal_force.c: In function ‘CalculateCationBendForce’: 2021-07-29T15:31:29,749 src/internal_force.c:1530:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,749 1530 | REAL CosTheta,Theta,SinTheta; 2021-07-29T15:31:29,749 | ^~~~~~~~ 2021-07-29T15:31:29,756 src/internal_force.c: In function ‘CalculateAdsorbateInversionBendForce’: 2021-07-29T15:31:29,757 src/internal_force.c:1881:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,757 1881 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2021-07-29T15:31:29,757 | ^~~~ 2021-07-29T15:31:29,762 src/internal_force.c: In function ‘CalculateCationInversionBendForce’: 2021-07-29T15:31:29,763 src/internal_force.c:2120:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,763 2120 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2021-07-29T15:31:29,764 | ^~~~ 2021-07-29T15:31:29,810 src/internal_force.c: In function ‘CalculateAdsorbateBondBendForce’: 2021-07-29T15:31:29,812 src/internal_force.c:3885:39: warning: variable ‘vterm’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,812 3885 | REAL *parms,gamma,gamsa,gamsc,pterm,vterm; 2021-07-29T15:31:29,813 | ^~~~~ 2021-07-29T15:31:29,818 src/internal_force.c: In function ‘CalculateCationBondBendForce’: 2021-07-29T15:31:29,820 src/internal_force.c:4071:39: warning: variable ‘vterm’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,820 4071 | REAL *parms,gamma,gamsa,gamsc,pterm,vterm; 2021-07-29T15:31:29,820 | ^~~~~ 2021-07-29T15:31:29,825 src/internal_force.c: In function ‘CalculateAdsorbateBendBendForce’: 2021-07-29T15:31:29,827 src/internal_force.c:4261:13: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,827 4261 | VECTOR fa,fb,fc,fd; 2021-07-29T15:31:29,827 | ^~ 2021-07-29T15:31:29,835 src/internal_force.c: In function ‘CalculateCationBendBendForce’: 2021-07-29T15:31:29,837 src/internal_force.c:4425:13: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,837 4425 | VECTOR fa,fb,fc,fd; 2021-07-29T15:31:29,837 | ^~ 2021-07-29T15:31:29,869 src/internal_force.c: In function ‘CalculateAdsorbateIntraChargeChargeForce’: 2021-07-29T15:31:29,872 src/internal_force.c:5644:46: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,872 5644 | int i,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-29T15:31:29,872 | ^~~~~ 2021-07-29T15:31:29,875 src/internal_force.c:5644:40: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,875 5644 | int i,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-29T15:31:29,875 | ^~~~~ 2021-07-29T15:31:29,876 src/internal_force.c: In function ‘CalculateCationIntraChargeChargeForce’: 2021-07-29T15:31:29,879 src/internal_force.c:5711:46: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,879 5711 | int i,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-29T15:31:29,879 | ^~~~~ 2021-07-29T15:31:29,882 src/internal_force.c:5711:40: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,883 5711 | int i,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2021-07-29T15:31:29,883 | ^~~~~ 2021-07-29T15:31:29,885 src/internal_force.c: In function ‘CalculateAdsorbateIntraChargeBondDipoleForce’: 2021-07-29T15:31:29,888 src/internal_force.c:5780:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,888 5780 | REAL Bt0,Bt1,Bt2,cosB; 2021-07-29T15:31:29,888 | ^~~ 2021-07-29T15:31:29,891 src/internal_force.c: In function ‘CalculateCationIntraChargeBondDipoleForce’: 2021-07-29T15:31:29,894 src/internal_force.c:5892:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,894 5892 | REAL Bt0,Bt1,Bt2,cosB; 2021-07-29T15:31:29,894 | ^~~ 2021-07-29T15:31:29,901 src/internal_force.c: In function ‘CalculateAdsorbateIntraBondDipoleBondDipoleForce’: 2021-07-29T15:31:29,904 src/internal_force.c:6004:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,904 6004 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2021-07-29T15:31:29,904 | ^~~ 2021-07-29T15:31:29,908 src/internal_force.c: In function ‘CalculateCationIntraBondDipoleBondDipoleForce’: 2021-07-29T15:31:29,911 src/internal_force.c:6173:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,912 6173 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2021-07-29T15:31:29,912 | ^~~ 2021-07-29T15:31:29,915 src/internal_force.c: In function ‘CalculateHarmonicAngleConstraintForce’: 2021-07-29T15:31:29,918 src/internal_force.c:6402:25: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,918 6402 | VECTOR Rab,Rac,Rbc,fa,fb,fc,dtA,dtB,dtC; 2021-07-29T15:31:29,918 | ^~ 2021-07-29T15:31:29,922 src/internal_force.c:6399:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,922 6399 | REAL CosTheta,Theta,SinTheta; 2021-07-29T15:31:29,922 | ^~~~~~~~ 2021-07-29T15:31:29,926 src/internal_force.c: In function ‘CalculateHarmonicDihedralConstraintForce’: 2021-07-29T15:31:29,929 src/internal_force.c:6512:19: warning: variable ‘CosPhi2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:29,929 6512 | REAL CosPhi,Phi,CosPhi2,SinPhi,U,DF; 2021-07-29T15:31:29,930 | ^~~~~~~ 2021-07-29T15:31:40,953 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 -Isrc -I/usr/include/python3.9 -c src/internal_hessian.c -o build/temp.linux-armv7l-3.9/src/internal_hessian.o 2021-07-29T15:31:43,142 src/internal_hessian.c: In function ‘CalculateAdsorbateIntraCoulombHessian’: 2021-07-29T15:31:43,148 src/internal_hessian.c:9250:43: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:43,148 9250 | int i,m,NumberOfIntraCoulomb,Type,typeA,typeB,A,B; 2021-07-29T15:31:43,149 | ^~~~~ 2021-07-29T15:31:43,155 src/internal_hessian.c:9250:37: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:43,155 9250 | int i,m,NumberOfIntraCoulomb,Type,typeA,typeB,A,B; 2021-07-29T15:31:43,155 | ^~~~~ 2021-07-29T15:31:43,180 src/internal_hessian.c: In function ‘CalculateCationIntraCoulombHessian’: 2021-07-29T15:31:43,186 src/internal_hessian.c:9397:43: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:43,186 9397 | int i,m,NumberOfIntraCoulomb,Type,typeA,typeB,A,B; 2021-07-29T15:31:43,186 | ^~~~~ 2021-07-29T15:31:43,192 src/internal_hessian.c:9397:37: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:43,193 9397 | int i,m,NumberOfIntraCoulomb,Type,typeA,typeB,A,B; 2021-07-29T15:31:43,193 | ^~~~~ 2021-07-29T15:31:43,197 src/internal_hessian.c: In function ‘CalculateAdsorbateInversionBendForces’: 2021-07-29T15:31:43,202 src/internal_hessian.c:9550:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:43,202 9550 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2021-07-29T15:31:43,202 | ^~~~ 2021-07-29T15:31:43,566 src/internal_hessian.c: In function ‘CalculateCationInversionBendForces’: 2021-07-29T15:31:43,571 src/internal_hessian.c:10264:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:43,572 10264 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2021-07-29T15:31:43,572 | ^~~~ 2021-07-29T15:31:44,442 src/internal_hessian.c: In function ‘CalculateHarmonicDihedralConstraintHessian’: 2021-07-29T15:31:44,450 src/internal_hessian.c:11309:21: warning: variable ‘CosPhi2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:31:44,450 11309 | REAL U,CosPhi,Phi,CosPhi2,SinPhi; 2021-07-29T15:31:44,451 | ^~~~~~~ 2021-07-29T15:32:42,544 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 -Isrc -I/usr/include/python3.9 -c src/linear_equations.c -o build/temp.linux-armv7l-3.9/src/linear_equations.o 2021-07-29T15:32:42,706 src/linear_equations.c: In function ‘Inverse’: 2021-07-29T15:32:42,707 src/linear_equations.c:73:12: warning: variable ‘arg2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:42,707 73 | int arg1,arg2; 2021-07-29T15:32:42,707 | ^~~~ 2021-07-29T15:32:42,707 src/linear_equations.c:73:7: warning: variable ‘arg1’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:42,707 73 | int arg1,arg2; 2021-07-29T15:32:42,707 | ^~~~ 2021-07-29T15:32:43,495 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 -Isrc -I/usr/include/python3.9 -c src/main.c -o build/temp.linux-armv7l-3.9/src/main.o 2021-07-29T15:32:43,750 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 -Isrc -I/usr/include/python3.9 -c src/matrix.c -o build/temp.linux-armv7l-3.9/src/matrix.o 2021-07-29T15:32:43,916 src/matrix.c: In function ‘PrintRealFortranMatrix’: 2021-07-29T15:32:43,916 src/matrix.c:840:11: warning: variable ‘size’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:43,916 840 | int i,j,size; 2021-07-29T15:32:43,916 | ^~~~ 2021-07-29T15:32:43,939 src/matrix.c: In function ‘fpoly’: 2021-07-29T15:32:43,939 src/matrix.c:1778:12: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-29T15:32:43,940 1778 | for(j=1;j= num_terms) 2021-07-29T15:32:43,992 | ^~ 2021-07-29T15:32:43,994 src/matrix.c:2291:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-29T15:32:43,994 2291 | for( i = 0; i < mp; ++i ) 2021-07-29T15:32:43,995 | ^ 2021-07-29T15:32:43,995 src/matrix.c:2295:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-29T15:32:43,995 2295 | for( j = 0; j < np; ++j ) 2021-07-29T15:32:43,995 | ^ 2021-07-29T15:32:43,996 src/matrix.c:2300:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-29T15:32:43,996 2300 | for( i = 0; i < np; ++i ) 2021-07-29T15:32:43,996 | ^ 2021-07-29T15:32:43,997 src/matrix.c:2304:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-29T15:32:43,997 2304 | for( j = 0; j < np; ++j ) 2021-07-29T15:32:43,997 | ^ 2021-07-29T15:32:43,998 src/matrix.c:2309:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-29T15:32:43,998 2309 | for( i = 0; i < np; ++i ) 2021-07-29T15:32:43,998 | ^ 2021-07-29T15:32:43,999 src/matrix.c:2314:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-29T15:32:43,999 2314 | for( i = 0; i < np; ++i ) 2021-07-29T15:32:43,999 | ^ 2021-07-29T15:32:44,000 src/matrix.c:2317:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2021-07-29T15:32:44,000 2317 | for( j = 0; j < np; ++j ) 2021-07-29T15:32:44,000 | ^ 2021-07-29T15:32:44,002 src/matrix.c:2262:13: warning: variable ‘vm’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:44,003 2262 | double *vm = NULL; 2021-07-29T15:32:44,003 | ^~ 2021-07-29T15:32:49,489 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 -Isrc -I/usr/include/python3.9 -c src/mc_moves.c -o build/temp.linux-armv7l-3.9/src/mc_moves.o 2021-07-29T15:32:50,297 src/mc_moves.c: In function ‘WidomAdsorbateMove’: 2021-07-29T15:32:50,302 src/mc_moves.c:7849:8: warning: variable ‘UCFMCAdsorbate’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:50,303 7849 | REAL UCFMCAdsorbate; 2021-07-29T15:32:50,303 | ^~~~~~~~~~~~~~ 2021-07-29T15:32:50,308 src/mc_moves.c: In function ‘WidomCationMove’: 2021-07-29T15:32:50,313 src/mc_moves.c:7953:8: warning: variable ‘UCFMCCation’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:50,314 7953 | REAL UCFMCCation; 2021-07-29T15:32:50,314 | ^~~~~~~~~~~ 2021-07-29T15:32:50,339 src/mc_moves.c: In function ‘CFWidomLambaAdsorbateMove’: 2021-07-29T15:32:50,344 src/mc_moves.c:8065:7: warning: variable ‘SelectedRetraceMolecule’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:50,345 8065 | int SelectedRetraceMolecule; 2021-07-29T15:32:50,345 | ^~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:32:50,371 src/mc_moves.c: In function ‘CFWidomLambaCationMove’: 2021-07-29T15:32:50,377 src/mc_moves.c:8329:7: warning: variable ‘SelectedRetraceMolecule’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:50,377 8329 | int SelectedRetraceMolecule; 2021-07-29T15:32:50,377 | ^~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:32:50,448 src/mc_moves.c: In function ‘VolumeMove’: 2021-07-29T15:32:50,454 src/mc_moves.c:9026:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:50,454 9026 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2021-07-29T15:32:50,454 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:32:50,492 src/mc_moves.c: In function ‘BoxShapeChangeMove’: 2021-07-29T15:32:50,498 src/mc_moves.c:9648:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:50,498 9648 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2021-07-29T15:32:50,498 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:32:50,509 src/mc_moves.c: In function ‘ParallelTemperingMove’: 2021-07-29T15:32:50,514 src/mc_moves.c:10254:25: warning: variable ‘PartialFugacityB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:50,514 10254 | REAL PartialFugacityA,PartialFugacityB; 2021-07-29T15:32:50,514 | ^~~~~~~~~~~~~~~~ 2021-07-29T15:32:50,521 src/mc_moves.c:10254:8: warning: variable ‘PartialFugacityA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:50,521 10254 | REAL PartialFugacityA,PartialFugacityB; 2021-07-29T15:32:50,521 | ^~~~~~~~~~~~~~~~ 2021-07-29T15:32:50,568 src/mc_moves.c: In function ‘ChiralInversionMove’: 2021-07-29T15:32:50,575 src/mc_moves.c:11018:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:50,576 11018 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2021-07-29T15:32:50,576 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:32:50,955 src/mc_moves.c: In function ‘HybridNVEMove’: 2021-07-29T15:32:50,965 src/mc_moves.c:14802:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:50,965 14802 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2021-07-29T15:32:50,965 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:32:51,036 src/mc_moves.c: In function ‘HybridNPHMove’: 2021-07-29T15:32:51,047 src/mc_moves.c:15356:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:51,047 15356 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2021-07-29T15:32:51,047 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:32:51,128 src/mc_moves.c: In function ‘HybridNPHPRMove’: 2021-07-29T15:32:51,138 src/mc_moves.c:15908:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:51,139 15908 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2021-07-29T15:32:51,139 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:32:51,207 src/mc_moves.c: In function ‘CFWangLandauIteration’: 2021-07-29T15:32:51,218 src/mc_moves.c:16510:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:51,219 16510 | int condition,MostProbableIndex; 2021-07-29T15:32:51,219 | ^~~~~~~~~~~~~~~~~ 2021-07-29T15:32:52,105 src/mc_moves.c: In function ‘CFGibbsParticleTransferAdsorbateMove’: 2021-07-29T15:32:52,119 src/mc_moves.c:20541:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:52,120 20541 | REAL Rosen,RosenbluthNew,RosenbluthOld; 2021-07-29T15:32:52,120 | ^~~~~ 2021-07-29T15:32:52,421 src/mc_moves.c: In function ‘CFGibbsParticleTransferCationMove’: 2021-07-29T15:32:52,436 src/mc_moves.c:22055:8: warning: variable ‘PartialFugacity’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:52,436 22055 | REAL PartialFugacity,UTailDelta[2]; 2021-07-29T15:32:52,437 | ^~~~~~~~~~~~~~~ 2021-07-29T15:32:52,836 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferAdsorbateMove’: 2021-07-29T15:32:52,852 src/mc_moves.c:23630:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:52,853 23630 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2021-07-29T15:32:52,853 | ^~~~~ 2021-07-29T15:32:53,247 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferCationMove’: 2021-07-29T15:32:53,264 src/mc_moves.c:25453:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:53,264 25453 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2021-07-29T15:32:53,264 | ^~~~~ 2021-07-29T15:32:53,567 src/mc_moves.c: In function ‘CFRXMCWangLandauIteration’: 2021-07-29T15:32:53,587 src/mc_moves.c:28288:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:53,587 28288 | int condition,MostProbableIndex; 2021-07-29T15:32:53,587 | ^~~~~~~~~~~~~~~~~ 2021-07-29T15:32:53,856 src/mc_moves.c: In function ‘CFGibbsSwapFractionalMoleculeToOtherBoxMove’: 2021-07-29T15:32:53,876 src/mc_moves.c:28775:86: warning: variable ‘UAdsorbateIntraBondDipoleBondDipoleFirstStep’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:53,876 28775 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2021-07-29T15:32:53,877 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:32:53,897 src/mc_moves.c:28775:45: warning: variable ‘UAdsorbateIntraChargeBondDipoleFirstStep’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:53,897 28775 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2021-07-29T15:32:53,897 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:32:53,917 src/mc_moves.c:28775:8: warning: variable ‘UAdsorbateIntraChargeChargeFirstStep’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:32:53,918 28775 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2021-07-29T15:32:53,918 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:33:20,751 src/mc_moves.c: In function ‘VolumeMove’: 2021-07-29T15:33:20,758 src/mc_moves.c:9334:21: warning: ‘scale’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:20,758 9334 | d.x=com.x*(scale-1.0); 2021-07-29T15:33:20,758 | ~~~~~~^~~~~ 2021-07-29T15:33:29,587 src/mc_moves.c: In function ‘GibbsParticleTransferAdsorbateMove’: 2021-07-29T15:33:29,595 src/mc_moves.c:12533:37: warning: ‘NetChargeDeltaOld’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:29,595 12533 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaOld; 2021-07-29T15:33:29,595 | ^~ 2021-07-29T15:33:29,603 src/mc_moves.c:12411:37: warning: ‘NetChargeDeltaNew’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:29,603 12411 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaNew; 2021-07-29T15:33:29,603 | ^~ 2021-07-29T15:33:30,528 src/mc_moves.c: In function ‘GibbsParticleTransferCationMove’: 2021-07-29T15:33:30,535 src/mc_moves.c:12933:37: warning: ‘NetChargeDeltaOld’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:30,535 12933 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaOld; 2021-07-29T15:33:30,535 | ^~ 2021-07-29T15:33:30,543 src/mc_moves.c:12811:37: warning: ‘NetChargeDeltaNew’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:30,543 12811 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaNew; 2021-07-29T15:33:30,544 | ^~ 2021-07-29T15:33:40,737 src/mc_moves.c: In function ‘CFWangLandauIteration’: 2021-07-29T15:33:40,747 src/mc_moves.c:16591:46: warning: ‘MostProbableValue’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:40,747 16591 | if(CFLambdaHistogram[i][j][k]<0.8*MostProbableValue) 2021-07-29T15:33:40,747 | ~~~^~~~~~~~~~~~~~~~~~ 2021-07-29T15:33:41,060 src/mc_moves.c: In function ‘CFSwapLambaAdsorbateMove’: 2021-07-29T15:33:41,070 src/mc_moves.c:17307:111: warning: ‘UAdsorbateIntraBondDipoleBondDipoleFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:41,070 17307 | UTotal[CurrentSystem]-=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2021-07-29T15:33:41,070 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:33:41,081 src/mc_moves.c:17307:70: warning: ‘UAdsorbateIntraChargeBondDipoleFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:41,082 17307 | UTotal[CurrentSystem]-=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2021-07-29T15:33:41,082 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:33:41,082 src/mc_moves.c:17307:70: warning: ‘UAdsorbateIntraChargeChargeFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:41,093 src/mc_moves.c:17254:39: warning: ‘UTailDelta’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:41,093 17254 | UTailCorrection[CurrentSystem]+=UTailDelta; 2021-07-29T15:33:41,094 | ^~ 2021-07-29T15:33:42,359 src/mc_moves.c: In function ‘CFSwapLambaCationMove’: 2021-07-29T15:33:42,369 src/mc_moves.c:18072:105: warning: ‘UCationIntraBondDipoleBondDipoleFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:42,369 18072 | UTotal[CurrentSystem]-=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2021-07-29T15:33:42,369 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:33:42,381 src/mc_moves.c:18072:67: warning: ‘UCationIntraChargeBondDipoleFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:42,381 18072 | UTotal[CurrentSystem]-=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2021-07-29T15:33:42,381 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:33:42,381 src/mc_moves.c:18072:67: warning: ‘UCationIntraChargeChargeFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:42,393 src/mc_moves.c:18019:39: warning: ‘UTailDelta’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:33:42,393 18019 | UTailCorrection[CurrentSystem]+=UTailDelta; 2021-07-29T15:33:42,394 | ^~ 2021-07-29T15:34:05,095 src/mc_moves.c: In function ‘CFCRXMCLambdaChangeMove’: 2021-07-29T15:34:05,113 src/mc_moves.c:27931:28: warning: ‘numberOfRetraceMolecules’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2021-07-29T15:34:05,113 27931 | int *deleted = (int*)calloc(numberOfRetraceMolecules,sizeof(int)); 2021-07-29T15:34:05,113 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:13,393 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 -Isrc -I/usr/include/python3.9 -c src/minimization.c -o build/temp.linux-armv7l-3.9/src/minimization.o 2021-07-29T15:34:13,701 src/minimization.c: In function ‘CalculateBakerSaddlePointStepSize’: 2021-07-29T15:34:13,703 src/minimization.c:3724:30: warning: variable ‘Lambda2’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:13,704 3724 | REAL DXSIZE,Lambda,Lambda1,Lambda2; 2021-07-29T15:34:13,704 | ^~~~~~~ 2021-07-29T15:34:13,705 src/minimization.c:3724:22: warning: variable ‘Lambda1’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:13,706 3724 | REAL DXSIZE,Lambda,Lambda1,Lambda2; 2021-07-29T15:34:13,706 | ^~~~~~~ 2021-07-29T15:34:13,752 src/minimization.c: In function ‘BakerMinimization’: 2021-07-29T15:34:13,755 src/minimization.c:4157:8: warning: variable ‘StepSizePrevious’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:13,755 4157 | REAL StepSizePrevious,StepSize; 2021-07-29T15:34:13,755 | ^~~~~~~~~~~~~~~~ 2021-07-29T15:34:13,779 src/minimization.c: In function ‘NewtonRaphsonMinimization’: 2021-07-29T15:34:13,781 src/minimization.c:4582:8: warning: variable ‘StepSizePrevious’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:13,781 4582 | REAL StepSizePrevious,StepSize; 2021-07-29T15:34:13,782 | ^~~~~~~~~~~~~~~~ 2021-07-29T15:34:23,730 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 -Isrc -I/usr/include/python3.9 -c src/minimization_simulation.c -o build/temp.linux-armv7l-3.9/src/minimization_simulation.o 2021-07-29T15:34:23,920 src/minimization_simulation.c: In function ‘MinimalizationSimulation’: 2021-07-29T15:34:23,920 src/minimization_simulation.c:67:14: warning: variable ‘ReferenceEnergy’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:23,921 67 | REAL Drift,ReferenceEnergy,ran; 2021-07-29T15:34:23,921 | ^~~~~~~~~~~~~~~ 2021-07-29T15:34:23,921 src/minimization_simulation.c:67:8: warning: variable ‘Drift’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:23,921 67 | REAL Drift,ReferenceEnergy,ran; 2021-07-29T15:34:23,921 | ^~~~~ 2021-07-29T15:34:24,249 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 -Isrc -I/usr/include/python3.9 -c src/molecular_dynamics.c -o build/temp.linux-armv7l-3.9/src/molecular_dynamics.o 2021-07-29T15:34:25,063 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 -Isrc -I/usr/include/python3.9 -c src/molecule.c -o build/temp.linux-armv7l-3.9/src/molecule.o 2021-07-29T15:34:25,363 src/molecule.c: In function ‘ReadComponentDefinition’: 2021-07-29T15:34:25,364 src/molecule.c:1150:7: warning: variable ‘atom_nr’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:25,364 1150 | int atom_nr; 2021-07-29T15:34:25,364 | ^~~~~~~ 2021-07-29T15:34:27,961 src/molecule.c: In function ‘ReadPseudoAtomsDefinitions’: 2021-07-29T15:34:27,961 src/molecule.c:634:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2021-07-29T15:34:27,961 634 | sprintf(buffer,"%s/share/raspa/forcefield/%s/pseudo_atoms.def",RASPA_DIRECTORY,ForceField); 2021-07-29T15:34:27,961 | ^~ ~~~~~~~~~~ 2021-07-29T15:34:27,961 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:27,962 from src/molecule.c:38: 2021-07-29T15:34:27,962 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 42 or more bytes (assuming 297) into a destination of size 256 2021-07-29T15:34:27,962 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:27,962 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:27,962 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:27,962 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:31,777 src/molecule.c: In function ‘ReadBiasingProfile’: 2021-07-29T15:34:31,781 src/molecule.c:5780:35: warning: ‘%s’ directive writing up to 255 bytes into a region of size 242 [-Wformat-overflow=] 2021-07-29T15:34:31,781 5780 | sprintf(buffer,"BiasingSpline_%s_%d.dat",Components[comp].Name,comp); 2021-07-29T15:34:31,781 | ^~ 2021-07-29T15:34:31,781 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:31,781 from src/molecule.c:38: 2021-07-29T15:34:31,782 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 21 and 286 bytes into a destination of size 256 2021-07-29T15:34:31,782 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:31,782 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:31,782 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:31,782 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:32,529 src/molecule.c: In function ‘ReadComponentDefinition’: 2021-07-29T15:34:32,529 src/molecule.c:1167:21: warning: ‘.def’ directive writing 4 bytes into a region of size between 1 and 256 [-Wformat-overflow=] 2021-07-29T15:34:32,529 1167 | sprintf(buffer,"%s.def",Components[comp].Name); 2021-07-29T15:34:32,530 | ^~~~ 2021-07-29T15:34:32,530 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:32,530 from src/molecule.c:38: 2021-07-29T15:34:32,530 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 5 and 260 bytes into a destination of size 256 2021-07-29T15:34:32,530 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:32,530 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:32,530 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:32,530 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:32,531 src/molecule.c:1170:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size 233 [-Wformat-overflow=] 2021-07-29T15:34:32,531 1170 | sprintf(buffer,"%s/share/raspa/molecules/%s/%s.%s", 2021-07-29T15:34:32,531 | ^~ 2021-07-29T15:34:32,531 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:32,531 from src/molecule.c:38: 2021-07-29T15:34:32,531 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 29 or more bytes (assuming 539) into a destination of size 256 2021-07-29T15:34:32,531 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:32,532 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:32,532 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:32,532 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:38,026 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 -Isrc -I/usr/include/python3.9 -c src/molecule_properties.c -o build/temp.linux-armv7l-3.9/src/molecule_properties.o 2021-07-29T15:34:39,075 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 -Isrc -I/usr/include/python3.9 -c src/monte_carlo.c -o build/temp.linux-armv7l-3.9/src/monte_carlo.o 2021-07-29T15:34:43,627 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 -Isrc -I/usr/include/python3.9 -c src/movies.c -o build/temp.linux-armv7l-3.9/src/movies.o 2021-07-29T15:34:43,844 src/movies.c: In function ‘WriteVTK’: 2021-07-29T15:34:43,844 src/movies.c:412:10: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:43,844 412 | VECTOR fac,pos; 2021-07-29T15:34:43,844 | ^~~ 2021-07-29T15:34:43,854 src/movies.c: In function ‘SamplePDBMovies’: 2021-07-29T15:34:43,854 src/movies.c:1366:7: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:43,855 1366 | int index; 2021-07-29T15:34:43,855 | ^~~~~ 2021-07-29T15:34:43,871 src/movies.c: In function ‘FreeEnergyProfile3D’: 2021-07-29T15:34:43,872 src/movies.c:1889:18: warning: variable ‘InverseCell’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:43,872 1889 | REAL_MATRIX3x3 InverseCell; 2021-07-29T15:34:43,872 | ^~~~~~~~~~~ 2021-07-29T15:34:43,873 src/movies.c:1882:13: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:43,873 1882 | int x,y,z,typeA,index,temp,start; 2021-07-29T15:34:43,873 | ^~~~~ 2021-07-29T15:34:44,677 src/movies.c: In function ‘WriteVTK’: 2021-07-29T15:34:44,678 src/movies.c:481:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 228 and 238 [-Wformat-overflow=] 2021-07-29T15:34:44,678 481 | sprintf(buffer,"VTK/System_%d/Frame%s.vtk",system,FileNameAppend); 2021-07-29T15:34:44,678 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:34:44,678 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:44,678 from src/movies.c:39: 2021-07-29T15:34:44,678 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 23 and 288 bytes into a destination of size 256 2021-07-29T15:34:44,678 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:44,678 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,679 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:44,679 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,681 src/movies.c:645:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2021-07-29T15:34:44,681 645 | sprintf(buffer,"VTK/System_%d/FrameworkAtoms%s.vtk",system,FileNameAppend); 2021-07-29T15:34:44,681 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:34:44,681 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:44,681 from src/movies.c:39: 2021-07-29T15:34:44,681 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 32 and 297 bytes into a destination of size 256 2021-07-29T15:34:44,682 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:44,682 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,682 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:44,682 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,684 src/movies.c:777:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2021-07-29T15:34:44,684 777 | sprintf(buffer,"VTK/System_%d/FrameworkBonds%s.vtk",system,FileNameAppend); 2021-07-29T15:34:44,684 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:34:44,684 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:44,684 from src/movies.c:39: 2021-07-29T15:34:44,685 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 32 and 297 bytes into a destination of size 256 2021-07-29T15:34:44,685 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:44,685 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,685 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:44,685 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,686 src/movies.c:857:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2021-07-29T15:34:44,686 857 | sprintf(buffer,"VTK/System_%d/AdsorbateAtoms%s.vtk",system,FileNameAppend); 2021-07-29T15:34:44,686 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:34:44,687 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:44,687 from src/movies.c:39: 2021-07-29T15:34:44,687 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 32 and 297 bytes into a destination of size 256 2021-07-29T15:34:44,687 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:44,687 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,687 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:44,687 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,690 src/movies.c:1033:45: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 221 and 231 [-Wformat-overflow=] 2021-07-29T15:34:44,690 1033 | sprintf(buffer,"VTK/System_%d/CationsAtoms%s.vtk",system,FileNameAppend); 2021-07-29T15:34:44,690 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:34:44,690 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:44,690 from src/movies.c:39: 2021-07-29T15:34:44,690 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 30 and 295 bytes into a destination of size 256 2021-07-29T15:34:44,691 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:44,691 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,691 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:44,691 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,693 src/movies.c:1250:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 237 [-Wformat-overflow=] 2021-07-29T15:34:44,694 1250 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2021-07-29T15:34:44,694 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:34:44,694 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:44,694 from src/movies.c:39: 2021-07-29T15:34:44,694 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 24 and 299 bytes into a destination of size 256 2021-07-29T15:34:44,694 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:44,694 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,694 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:44,695 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,695 src/movies.c:1216:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 237 [-Wformat-overflow=] 2021-07-29T15:34:44,695 1216 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2021-07-29T15:34:44,695 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:34:44,695 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:44,695 from src/movies.c:39: 2021-07-29T15:34:44,696 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 24 and 299 bytes into a destination of size 256 2021-07-29T15:34:44,696 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:44,696 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:44,696 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:44,696 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,169 src/movies.c: In function ‘WriteMolecule’: 2021-07-29T15:34:46,170 src/movies.c:1337:30: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 236 and 246 [-Wformat-overflow=] 2021-07-29T15:34:46,170 1337 | sprintf(buffer,"molecule_%d%s.vtk",count,FileNameAppend); 2021-07-29T15:34:46,170 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:34:46,170 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:46,170 from src/movies.c:39: 2021-07-29T15:34:46,171 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 15 and 280 bytes into a destination of size 256 2021-07-29T15:34:46,171 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:46,171 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,171 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:46,171 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,308 src/movies.c: In function ‘SamplePDBMovies’: 2021-07-29T15:34:46,308 src/movies.c:1559:36: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2021-07-29T15:34:46,309 1559 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2021-07-29T15:34:46,309 | ^~~ 2021-07-29T15:34:46,309 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:46,309 from src/movies.c:39: 2021-07-29T15:34:46,309 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 5 2021-07-29T15:34:46,309 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:46,309 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,309 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:46,309 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,310 src/movies.c:1560:35: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2021-07-29T15:34:46,310 1560 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2021-07-29T15:34:46,310 | ^~~ 2021-07-29T15:34:46,310 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:46,310 from src/movies.c:39: 2021-07-29T15:34:46,310 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 3 2021-07-29T15:34:46,310 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:46,311 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,311 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:46,311 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,311 src/movies.c:1606:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2021-07-29T15:34:46,311 1606 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2021-07-29T15:34:46,311 | ^~~ 2021-07-29T15:34:46,311 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:46,312 from src/movies.c:39: 2021-07-29T15:34:46,312 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 5 2021-07-29T15:34:46,312 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:46,312 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,312 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:46,312 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,312 src/movies.c:1607:33: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2021-07-29T15:34:46,312 1607 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2021-07-29T15:34:46,313 | ^~~ 2021-07-29T15:34:46,313 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:46,313 from src/movies.c:39: 2021-07-29T15:34:46,313 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 3 2021-07-29T15:34:46,313 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:46,313 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,313 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:46,313 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,314 src/movies.c:1642:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2021-07-29T15:34:46,314 1642 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2021-07-29T15:34:46,314 | ^~~ 2021-07-29T15:34:46,314 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:46,314 from src/movies.c:39: 2021-07-29T15:34:46,314 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 5 2021-07-29T15:34:46,314 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:46,314 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,315 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:46,315 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,315 src/movies.c:1643:33: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2021-07-29T15:34:46,315 1643 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2021-07-29T15:34:46,315 | ^~~ 2021-07-29T15:34:46,315 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:46,315 from src/movies.c:39: 2021-07-29T15:34:46,315 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:67:10: note: ‘__builtin___snprintf_chk’ output between 3 and 32 bytes into a destination of size 3 2021-07-29T15:34:46,316 67 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:46,316 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:46,316 68 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:46,316 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:47,059 src/movies.c: In function ‘FreeEnergyProfile3D’: 2021-07-29T15:34:47,061 src/movies.c:2004:53: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 227 [-Wformat-overflow=] 2021-07-29T15:34:47,061 2004 | sprintf(buffer,"VTK/System_%d/FrameworkSurface%s.vtk",CurrentSystem,FileNameAppend); 2021-07-29T15:34:47,061 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:34:47,061 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:47,061 from src/movies.c:39: 2021-07-29T15:34:47,062 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 34 and 299 bytes into a destination of size 256 2021-07-29T15:34:47,062 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:47,062 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:47,062 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:47,062 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:47,459 src/movies.c: In function ‘WriteSnapshotTinker’: 2021-07-29T15:34:47,461 src/movies.c:2228:49: warning: ‘%s’ directive writing up to 255 bytes into a region of size 231 [-Wformat-overflow=] 2021-07-29T15:34:47,461 2228 | sprintf(buffer,"Tinker/System_%d/Snapshot_%s%s.txyz",CurrentSystem,string,FileNameAppend); 2021-07-29T15:34:47,462 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:34:47,462 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:47,462 from src/movies.c:39: 2021-07-29T15:34:47,462 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 31 or more bytes (assuming 286) into a destination of size 256 2021-07-29T15:34:47,462 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:47,462 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:47,462 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:47,462 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:47,463 src/movies.c:2249:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2021-07-29T15:34:47,463 2249 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2021-07-29T15:34:47,464 | ^~~ 2021-07-29T15:34:47,464 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:47,464 from src/movies.c:39: 2021-07-29T15:34:47,464 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 4 and 32 bytes into a destination of size 10 2021-07-29T15:34:47,464 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:47,464 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:47,464 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:47,465 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:47,465 src/movies.c:2271:29: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2021-07-29T15:34:47,466 2271 | sprintf(AtomName,"%3s",PseudoAtoms[Adsorbates[CurrentSystem][i].Atoms[j].Type].PrintToPDBName); 2021-07-29T15:34:47,466 | ^~~ 2021-07-29T15:34:47,466 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:47,466 from src/movies.c:39: 2021-07-29T15:34:47,466 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 4 and 32 bytes into a destination of size 10 2021-07-29T15:34:47,466 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:47,466 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:47,466 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:47,467 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:47,468 src/movies.c:2285:43: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 225 and 235 [-Wformat-overflow=] 2021-07-29T15:34:47,468 2285 | sprintf(buffer,"Tinker/System_%d/RASPA%s.key",CurrentSystem,FileNameAppend); 2021-07-29T15:34:47,468 | ^~ ~~~~~~~~~~~~~~ 2021-07-29T15:34:47,468 In file included from /usr/include/stdio.h:867, 2021-07-29T15:34:47,468 from src/movies.c:39: 2021-07-29T15:34:47,468 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 26 and 291 bytes into a destination of size 256 2021-07-29T15:34:47,469 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:34:47,469 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:47,469 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:34:47,469 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:48,040 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 -Isrc -I/usr/include/python3.9 -c src/numerical.c -o build/temp.linux-armv7l-3.9/src/numerical.o 2021-07-29T15:34:48,255 src/numerical.c: In function ‘ComputeGradientsNumerically’: 2021-07-29T15:34:48,255 src/numerical.c:435:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:48,255 435 | REAL EnergyCentral,EnergyForward1,EnergyForward2,EnergyBackward1,EnergyBackward2; 2021-07-29T15:34:48,255 | ^~~~~~~~~~~~~ 2021-07-29T15:34:48,256 src/numerical.c:434:14: warning: variable ‘force’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:48,256 434 | VECTOR pos,force,derivative; 2021-07-29T15:34:48,256 | ^~~~~ 2021-07-29T15:34:48,256 src/numerical.c:433:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:48,256 433 | int type; 2021-07-29T15:34:48,257 | ^~~~ 2021-07-29T15:34:48,346 src/numerical.c: In function ‘ComputeStrainDerivativeNumerically’: 2021-07-29T15:34:48,347 src/numerical.c:1892:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:48,347 1892 | REAL EnergyCentral,EnergyForward1,EnergyForward2,EnergyBackward1,EnergyBackward2,det; 2021-07-29T15:34:48,347 | ^~~~~~~~~~~~~ 2021-07-29T15:34:48,396 src/numerical.c: In function ‘ComputeStrainSecondDerivativeNumerically’: 2021-07-29T15:34:48,398 src/numerical.c:2926:18: warning: variable ‘StrainDerivativeCentral’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:48,398 2926 | REAL_MATRIX3x3 StrainDerivativeCentral,StrainDerivativeForward1,StrainDerivativeForward2; 2021-07-29T15:34:48,399 | ^~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:48,412 src/numerical.c: In function ‘TestEnergyForcesHessian’: 2021-07-29T15:34:48,414 src/numerical.c:3994:14: warning: variable ‘vel’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:48,415 3994 | VECTOR pos,vel,force; 2021-07-29T15:34:48,415 | ^~~ 2021-07-29T15:34:48,417 src/numerical.c:3993:15: warning: variable ‘AtomType’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:48,417 3993 | int MolType,AtomType; 2021-07-29T15:34:48,418 | ^~~~~~~~ 2021-07-29T15:34:48,424 src/numerical.c: In function ‘TestElectricField2’: 2021-07-29T15:34:48,427 src/numerical.c:4088:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:48,427 4088 | REAL EnergyCentral,EnergyForward2,EnergyForward1,EnergyBackward1,EnergyBackward2; 2021-07-29T15:34:48,427 | ^~~~~~~~~~~~~ 2021-07-29T15:34:48,451 src/numerical.c: In function ‘ComputeCrossTermNumerically’: 2021-07-29T15:34:48,454 src/numerical.c:4484:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:48,454 4484 | int type; 2021-07-29T15:34:48,454 | ^~~~ 2021-07-29T15:34:48,465 src/numerical.c: In function ‘AddRemainderOfCrossTermNumerically’: 2021-07-29T15:34:48,468 src/numerical.c:4973:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:48,468 4973 | int type; 2021-07-29T15:34:48,468 | ^~~~ 2021-07-29T15:34:48,500 src/numerical.c: In function ‘AddRemainderOfBornTermNumerically’: 2021-07-29T15:34:48,503 src/numerical.c:5181:18: warning: variable ‘StrainDerivativeCentral’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:48,503 5181 | REAL_MATRIX3x3 StrainDerivativeCentral,StrainDerivativeForward1,StrainDerivativeForward2; 2021-07-29T15:34:48,503 | ^~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:34:48,511 src/numerical.c: In function ‘ComputeCrossTermNumericallyMinimalSet’: 2021-07-29T15:34:48,514 src/numerical.c:6318:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:34:48,515 6318 | int type; 2021-07-29T15:34:48,515 | ^~~~ 2021-07-29T15:35:04,682 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 -Isrc -I/usr/include/python3.9 -c src/output.c -o build/temp.linux-armv7l-3.9/src/output.o 2021-07-29T15:35:04,967 src/output.c: In function ‘PrintPreSimulationStatusCurrentSystem’: 2021-07-29T15:35:04,967 src/output.c:215:38: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time] 2021-07-29T15:35:04,968 215 | char my_date[] = "Compile Date = " __DATE__; 2021-07-29T15:35:04,968 | ^~~~~~~~ 2021-07-29T15:35:04,968 src/output.c:216:38: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time] 2021-07-29T15:35:04,968 216 | char my_time[] = "Compile Time = " __TIME__; 2021-07-29T15:35:04,968 | ^~~~~~~~ 2021-07-29T15:35:05,183 src/output.c:222:12: warning: variable ‘len’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:05,184 222 | size_t len; 2021-07-29T15:35:05,184 | ^~~ 2021-07-29T15:35:05,184 src/output.c:221:9: warning: unused variable ‘mib’ [-Wunused-variable] 2021-07-29T15:35:05,184 221 | int mib[2]; 2021-07-29T15:35:05,184 | ^~~ 2021-07-29T15:35:06,740 In file included from /usr/include/string.h:495, 2021-07-29T15:35:06,740 from src/output.c:40: 2021-07-29T15:35:06,740 In function ‘strncpy’, 2021-07-29T15:35:06,741 inlined from ‘OpenOutputFile’ at src/output.c:177:7: 2021-07-29T15:35:06,741 /usr/include/arm-linux-gnueabihf/bits/string_fortified.h:106:10: warning: ‘__builtin_strncpy’ output may be truncated copying 256 bytes from a string of length 1023 [-Wstringop-truncation] 2021-07-29T15:35:06,741 106 | return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest)); 2021-07-29T15:35:06,741 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:35:25,737 In function ‘strncpy’, 2021-07-29T15:35:25,737 inlined from ‘ReadRestartOutput’ at src/output.c:7971:5: 2021-07-29T15:35:25,737 /usr/include/arm-linux-gnueabihf/bits/string_fortified.h:106:10: warning: ‘__builtin_strncpy’ output may be truncated copying 256 bytes from a string of length 1023 [-Wstringop-truncation] 2021-07-29T15:35:25,737 106 | return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest)); 2021-07-29T15:35:25,738 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:35:26,821 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 -Isrc -I/usr/include/python3.9 -c src/potentials.c -o build/temp.linux-armv7l-3.9/src/potentials.o 2021-07-29T15:35:27,156 src/potentials.c: In function ‘ReadForceFieldDefinitions’: 2021-07-29T15:35:27,159 src/potentials.c:4394:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 2021-07-29T15:35:27,159 4394 | if(NumberOfInteractions>0) 2021-07-29T15:35:27,159 | ^~ 2021-07-29T15:35:27,162 src/potentials.c:4395:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 2021-07-29T15:35:27,162 4395 | fscanf(FilePtr,"%*[^\n]");fscanf(FilePtr,"%*c"); //skip line 2021-07-29T15:35:27,162 | ^~~~~~ 2021-07-29T15:35:27,295 src/potentials.c: In function ‘PotentialValue’: 2021-07-29T15:35:27,300 src/potentials.c:5851:46: warning: variable ‘rri16’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:27,300 5851 | REAL rri2,rri4,rri6,rri8,rri10,rri12,rri14,rri16; 2021-07-29T15:35:27,300 | ^~~~~ 2021-07-29T15:35:27,344 src/potentials.c: In function ‘PotentialGradient’: 2021-07-29T15:35:27,350 src/potentials.c:7242:51: warning: variable ‘rri16’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:27,350 7242 | REAL rri2,rri4,rri5,rri6,rri8,rri10,rri12,rri14,rri16; 2021-07-29T15:35:27,350 | ^~~~~ 2021-07-29T15:35:27,511 src/potentials.c: In function ‘PotentialValueChargeBondDipole’: 2021-07-29T15:35:27,520 src/potentials.c:12481:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:27,520 12481 | REAL Bt0,Bt1; 2021-07-29T15:35:27,520 | ^~~ 2021-07-29T15:35:27,525 src/potentials.c: In function ‘PotentialValueBondDipoleBondDipole’: 2021-07-29T15:35:27,536 src/potentials.c:12524:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:27,536 12524 | REAL Bt0,Bt1,Bt2; 2021-07-29T15:35:27,536 | ^~~ 2021-07-29T15:35:27,540 src/potentials.c: In function ‘PotentialGradientChargeBondDipole’: 2021-07-29T15:35:27,549 src/potentials.c:12653:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:27,550 12653 | REAL U,Bt0,Bt1,Bt2; 2021-07-29T15:35:27,550 | ^~~ 2021-07-29T15:35:27,560 src/potentials.c: In function ‘PotentialGradientBondDipoleBondDipole’: 2021-07-29T15:35:27,569 src/potentials.c:12753:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:27,569 12753 | REAL U,Bt0,Bt1,Bt2,Bt3; 2021-07-29T15:35:27,569 | ^~~ 2021-07-29T15:35:27,573 src/potentials.c: In function ‘PotentialElectricFieldBondDipoleBondDipole’: 2021-07-29T15:35:27,582 src/potentials.c:12977:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:27,582 12977 | REAL Bt0,Bt1,Bt2; 2021-07-29T15:35:27,582 | ^~~ 2021-07-29T15:35:27,584 src/potentials.c: In function ‘PotentialGradientInducedDipoleInducedDipole’: 2021-07-29T15:35:27,593 src/potentials.c:13054:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:27,594 13054 | REAL U,Bt0,Bt1,Bt2,Bt3; 2021-07-29T15:35:27,594 | ^~~ 2021-07-29T15:35:33,830 src/potentials.c: In function ‘ReadForceFieldDefinitionsMixingRules’: 2021-07-29T15:35:33,833 src/potentials.c:3030:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2021-07-29T15:35:33,833 3030 | sprintf(buffer,"%s/share/raspa/forcefield/%s/force_field_mixing_rules.def",RASPA_DIRECTORY,ForceField); 2021-07-29T15:35:33,833 | ^~ ~~~~~~~~~~ 2021-07-29T15:35:33,833 In file included from /usr/include/stdio.h:867, 2021-07-29T15:35:33,833 from src/potentials.c:35: 2021-07-29T15:35:33,834 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 54 or more bytes (assuming 309) into a destination of size 256 2021-07-29T15:35:33,834 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:35:33,834 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:35:33,834 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:35:33,834 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:35:39,392 src/potentials.c: In function ‘ReadForceFieldDefinitions’: 2021-07-29T15:35:39,398 src/potentials.c:4335:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2021-07-29T15:35:39,398 4335 | sprintf(buffer,"%s/share/raspa/forcefield/%s/force_field.def",RASPA_DIRECTORY,ForceField); 2021-07-29T15:35:39,398 | ^~ ~~~~~~~~~~ 2021-07-29T15:35:39,398 In file included from /usr/include/stdio.h:867, 2021-07-29T15:35:39,398 from src/potentials.c:35: 2021-07-29T15:35:39,398 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output 41 or more bytes (assuming 296) into a destination of size 256 2021-07-29T15:35:39,398 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:35:39,399 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:35:39,399 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:35:39,399 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:35:50,520 src/potentials.c: In function ‘WriteTinkerParameterFile’: 2021-07-29T15:35:50,537 src/potentials.c:13148:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 230 and 240 [-Wformat-overflow=] 2021-07-29T15:35:50,537 13148 | sprintf(buffer,"Tinker/System_%d/%s.prm",CurrentSystem,ForceField); 2021-07-29T15:35:50,537 | ^~ ~~~~~~~~~~ 2021-07-29T15:35:50,538 In file included from /usr/include/stdio.h:867, 2021-07-29T15:35:50,538 from src/potentials.c:35: 2021-07-29T15:35:50,538 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 21 and 286 bytes into a destination of size 256 2021-07-29T15:35:50,538 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:35:50,538 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:35:50,538 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:35:50,538 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:35:50,617 src/potentials.c: In function ‘WriteTinkerKeyFile’: 2021-07-29T15:35:50,633 src/potentials.c:13219:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 230 and 240 [-Wformat-overflow=] 2021-07-29T15:35:50,633 13219 | sprintf(buffer,"Tinker/System_%d/%s.key",CurrentSystem,ForceField); 2021-07-29T15:35:50,634 | ^~ ~~~~~~~~~~ 2021-07-29T15:35:50,634 In file included from /usr/include/stdio.h:867, 2021-07-29T15:35:50,634 from src/potentials.c:35: 2021-07-29T15:35:50,634 /usr/include/arm-linux-gnueabihf/bits/stdio2.h:36:10: note: ‘__builtin___sprintf_chk’ output between 21 and 286 bytes into a destination of size 256 2021-07-29T15:35:50,634 36 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, 2021-07-29T15:35:50,634 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:35:50,634 37 | __bos (__s), __fmt, __va_arg_pack ()); 2021-07-29T15:35:50,635 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-29T15:35:51,644 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 -Isrc -I/usr/include/python3.9 -c src/recrossing.c -o build/temp.linux-armv7l-3.9/src/recrossing.o 2021-07-29T15:35:51,842 src/recrossing.c: In function ‘BarrierRecrossing’: 2021-07-29T15:35:51,843 src/recrossing.c:489:39: warning: variable ‘TempEndB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:51,843 489 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2021-07-29T15:35:51,843 | ^~~~~~~~ 2021-07-29T15:35:51,843 src/recrossing.c:489:30: warning: variable ‘TempEndA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:51,843 489 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2021-07-29T15:35:51,843 | ^~~~~~~~ 2021-07-29T15:35:51,843 src/recrossing.c:489:19: warning: variable ‘TempStartB’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:51,844 489 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2021-07-29T15:35:51,844 | ^~~~~~~~~~ 2021-07-29T15:35:51,845 src/recrossing.c:489:8: warning: variable ‘TempStartA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:51,846 489 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2021-07-29T15:35:51,846 | ^~~~~~~~~~ 2021-07-29T15:35:53,278 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 -Isrc -I/usr/include/python3.9 -c src/rigid.c -o build/temp.linux-armv7l-3.9/src/rigid.o 2021-07-29T15:35:53,647 src/rigid.c: In function ‘TotalAngularMomentum’: 2021-07-29T15:35:53,648 src/rigid.c:1201:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:53,648 1201 | int Type; 2021-07-29T15:35:53,648 | ^~~~ 2021-07-29T15:35:53,690 src/rigid.c: In function ‘ReturnWilsonVectorsInversionBendRATTLE’: 2021-07-29T15:35:53,691 src/rigid.c:2829:8: warning: variable ‘ThetaD’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:53,691 2829 | REAL ThetaD,SinThetaD,CosThetaD,ChiD,CosChiD,SinChiD,TanChiD; 2021-07-29T15:35:53,691 | ^~~~~~ 2021-07-29T15:35:53,693 src/rigid.c:2828:8: warning: variable ‘ThetaC’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:53,693 2828 | REAL ThetaC,SinThetaC,CosThetaC,ChiC,CosChiC,SinChiC,TanChiC; 2021-07-29T15:35:53,693 | ^~~~~~ 2021-07-29T15:35:53,694 src/rigid.c:2827:8: warning: variable ‘ThetaA’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:53,694 2827 | REAL ThetaA,SinThetaA,CosThetaA,ChiA,CosChiA,SinChiA,TanChiA; 2021-07-29T15:35:53,695 | ^~~~~~ 2021-07-29T15:35:53,778 src/rigid.c: In function ‘RattleStageTwo’: 2021-07-29T15:35:53,781 src/rigid.c:5387:8: warning: variable ‘ConstraintValue’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:35:53,781 5387 | REAL ConstraintValue; 2021-07-29T15:35:53,781 | ^~~~~~~~~~~~~~~ 2021-07-29T15:36:08,355 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 -Isrc -I/usr/include/python3.9 -c src/run.c -o build/temp.linux-armv7l-3.9/src/run.o 2021-07-29T15:36:08,826 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 -Isrc -I/usr/include/python3.9 -c src/sample.c -o build/temp.linux-armv7l-3.9/src/sample.o 2021-07-29T15:36:09,103 src/sample.c: In function ‘SamplePositionHistogram’: 2021-07-29T15:36:09,103 src/sample.c:1304:21: warning: variable ‘drift’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:36:09,103 1304 | VECTOR pos,s,fcom,drift; 2021-07-29T15:36:09,103 | ^~~~~ 2021-07-29T15:36:09,132 src/sample.c: In function ‘SampleFreeEnergyProfile’: 2021-07-29T15:36:09,133 src/sample.c:2600:14: warning: variable ‘drift’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:36:09,134 2600 | VECTOR A,C,drift,fcom; 2021-07-29T15:36:09,134 | ^~~~~ 2021-07-29T15:36:09,135 src/sample.c:2599:14: warning: variable ‘IdealGasRosenBluth’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:36:09,135 2599 | REAL value,IdealGasRosenBluth,error; 2021-07-29T15:36:09,135 | ^~~~~~~~~~~~~~~~~~ 2021-07-29T15:36:09,425 src/sample.c: In function ‘SampleRotationalVelocityAutoCorrelationFunctionOrderN’: 2021-07-29T15:36:09,430 src/sample.c:7728:16: warning: variable ‘drift’ set but not used [-Wunused-but-set-variable] 2021-07-29T15:36:09,430 7728 | VECTOR value,drift; 2021-07-29T15:36:09,430 | ^~~~~ 2021-07-29T15:36:09,564 src/sample.c: In function ‘SampleCOMDensityProfile3DVTKGrid’: 2021-07-29T15:36:09,570 src/sample.c:9793:11: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 2021-07-29T15:36:09,571 9793 | for(y=0;y build/bdist.linux-armv7l/wheel/RASPA2 2021-07-29T15:41:05,878 creating build/bdist.linux-armv7l/wheel/RASPA2/simulations 2021-07-29T15:41:05,880 creating build/bdist.linux-armv7l/wheel/RASPA2/simulations/lib 2021-07-29T15:41:05,881 copying build/lib.linux-armv7l-3.9/RASPA2/simulations/lib/libraspa2.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/RASPA2/simulations/lib 2021-07-29T15:41:06,305 copying build/lib.linux-armv7l-3.9/RASPA2/output_parser.py -> build/bdist.linux-armv7l/wheel/RASPA2 2021-07-29T15:41:06,308 creating build/bdist.linux-armv7l/wheel/RASPA2/share 2021-07-29T15:41:06,310 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa 2021-07-29T15:41:06,311 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures 2021-07-29T15:41:06,318 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,319 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-205.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,323 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88A-dry.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,327 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-101-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,336 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/AFI_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,339 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-9.5A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,343 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZnBDCdabco.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,345 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-96.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,347 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-1-14.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,351 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ITQ-3.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,353 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-2.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,355 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-90.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,358 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-53(Cr)lt.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,360 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-102.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,362 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-12.78A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,369 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-140C-DFT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,371 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-12.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,374 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/UMCM-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,377 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-12.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,382 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MFS.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,383 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/AlPO-5.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,385 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/DDR.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,387 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88B-dry.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,389 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-3.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,393 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Co-DOBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,395 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/EMT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,397 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-103.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,399 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-68.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,401 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-140D-DFT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,403 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZnMOF-74.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,404 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ITQ-7.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,406 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-9.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,408 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CoBDP-Dubbeldam.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,411 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/OFF.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,413 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-17.04A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,419 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-7.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,420 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Co(2,6-NDP).cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,422 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-3.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,424 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-210.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,427 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-9.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,429 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Zr-TPDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,433 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-101.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,457 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-11.0A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,461 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-8.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,464 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-71.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,465 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-100.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,483 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-72.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,485 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZnHBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,487 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-140A-DFT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,488 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MgMOF-74-extended-VASP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,490 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MFI_para.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,492 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-4.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,496 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-10-13.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,500 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-11.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,504 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-17.04A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,513 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-202.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,515 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/PCN-68-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,518 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-10.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,521 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/FER.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,523 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-15.62A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,527 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-13.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,529 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ISV.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,531 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-177_ortho.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,535 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MAF-X8.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,538 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CAN-12.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,540 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-1-23.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,546 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MEI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,549 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CON.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,551 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/PCN-68.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,553 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,555 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MFI_SI_mono.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,558 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/AFX_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,560 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/NU-108-Zn.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,564 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/quartz.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,567 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/NU-108-Cu.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,570 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/LEV.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,573 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-15.62A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,583 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88D-open.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,585 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/LTA5A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,588 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-77.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,591 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Cu-BTC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,594 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-80.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,596 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/LTA_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,599 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/TON.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,602 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-11-18.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,608 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/LAU.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,611 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ERI_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,614 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/PCN-60.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,616 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CoBDP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,619 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,622 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-140B-DFT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,625 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ITQ-29-2x2x2.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,629 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZnMOF-74-VASP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,631 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/STF.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,634 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-93.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,636 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Cd3BTB2.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,638 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-210-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,642 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-7.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,646 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-200.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,651 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-10.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,654 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88C-dry.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,657 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/alpha-quartz.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,659 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MFI_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,662 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/DON.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,665 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-10.25A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,670 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CFI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,672 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CHA_SI_mono.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,675 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/BOG_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,677 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-105.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,679 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ATS.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,682 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-100-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,689 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MFI_SI_Olson.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,692 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-12.78A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,696 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ITQ-29.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,699 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MgMOF-74.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,702 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/BEA.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,704 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-2.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,707 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-6.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,711 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-11.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,717 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-3-9.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,721 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-18.46A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,727 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-15.0A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,733 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-1-Ar.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,735 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-12.0A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,740 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-19.88A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,751 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,753 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-14.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,756 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-8.52A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,761 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MgMOF-74-VASP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,763 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-97.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,766 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-10.65A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,770 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/LTA4A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,773 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-6.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,776 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZnBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,778 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ITQ-12.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,781 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-5.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,783 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/PCN-61.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,786 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOR_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,788 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/AlPO-17.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,790 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-8.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,794 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MEL.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,796 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-5.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,799 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SAPO-47.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,801 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-69.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,805 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-18.46A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,817 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Ni-DOBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,819 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-3-20.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,824 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/GME.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,826 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-70.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,828 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,830 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/NaX.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,832 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-4.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,835 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88B-open.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,837 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-8.52A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,843 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SOD.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,845 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-11.36A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,852 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/coesite.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,853 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-10-11.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,858 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-13.25A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,862 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-14.2A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,866 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SFF.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,868 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/AEL.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,870 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-9.94A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,875 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-4-14.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,878 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-9.0A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,883 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Zn-DOBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,884 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/NU-100SP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,890 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/PAU.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,893 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/UIO-66.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,895 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite_ortho.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,897 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88C-open.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,899 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MAZ.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,901 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ITQ-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,902 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/NU-100SP-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,905 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/LTL_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,907 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/KFI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,909 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-300.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,911 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SWNT-3-11.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,914 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-20.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,923 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-9.94A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,929 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-11.36A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,933 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/COF-108.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,935 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-69c.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,938 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/ZIF-69-crystal.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,941 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-square-channel-14.2A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,949 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-19.88A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,955 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/Mg-DOBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,957 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-177.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,960 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/CHA_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,962 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88D-dry.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,964 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/NU-108-Cu-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,967 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/graphite-sheet-13.75A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,972 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MTW_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,974 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-88A-open.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,976 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-15.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,979 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MOF-1-Dybtsev-dmol.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,981 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-53(Cr)ht.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,983 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/SAPO-56.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,986 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-5.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,990 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/MIL-47.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,992 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/IRMOF-16.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,996 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/RHO.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:06,998 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/FAU_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:07,001 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/cif/VFI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2021-07-29T15:41:07,004 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/ions 2021-07-29T15:41:07,005 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/ions/IRMOF-1-Ar.ions -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/ions 2021-07-29T15:41:07,008 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,009 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/ITQ-12.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,011 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/BOG_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,013 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/GME.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,015 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/FAU.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,017 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/FER.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,019 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/ERI_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,021 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/CHA_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,023 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/LTL_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,025 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/TON.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,027 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/MFI_mono.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,029 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/DDR_ortho.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,031 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/MFI_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,033 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/test.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,036 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/ITQ-3.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,037 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/ITQ-29-2x2x2.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,040 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/LTA_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,042 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/ATS.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,044 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/MTW.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,046 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/MOR_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,048 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/DDR.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,050 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/ITQ-29.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,052 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/structures/block/MFI_Olson.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2021-07-29T15:41:07,055 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield 2021-07-29T15:41:07,056 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-29T15:41:07,057 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-29T15:41:07,060 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-29T15:41:07,062 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2021-07-29T15:41:07,065 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-29T15:41:07,066 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-29T15:41:07,068 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-29T15:41:07,070 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2021-07-29T15:41:07,073 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericZeolites 2021-07-29T15:41:07,074 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericZeolites/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericZeolites 2021-07-29T15:41:07,076 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericZeolites/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericZeolites 2021-07-29T15:41:07,079 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-29T15:41:07,081 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-29T15:41:07,083 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-29T15:41:07,085 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2021-07-29T15:41:07,088 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-29T15:41:07,089 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-29T15:41:07,091 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-29T15:41:07,093 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Pascual2004/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Pascual2004 2021-07-29T15:41:07,096 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-29T15:41:07,097 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-29T15:41:07,099 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-29T15:41:07,101 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2021-07-29T15:41:07,104 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-29T15:41:07,105 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-29T15:41:07,107 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-29T15:41:07,109 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2021-07-29T15:41:07,112 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-29T15:41:07,113 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-29T15:41:07,115 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-29T15:41:07,117 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2021-07-29T15:41:07,120 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-29T15:41:07,121 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-29T15:41:07,123 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-29T15:41:07,126 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2021-07-29T15:41:07,128 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-29T15:41:07,129 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-29T15:41:07,132 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-29T15:41:07,134 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2021-07-29T15:41:07,136 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-29T15:41:07,137 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-29T15:41:07,139 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-29T15:41:07,142 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2021-07-29T15:41:07,145 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-29T15:41:07,146 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-29T15:41:07,148 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-29T15:41:07,151 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2021-07-29T15:41:07,153 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-29T15:41:07,154 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-29T15:41:07,156 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-29T15:41:07,159 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2021-07-29T15:41:07,162 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-29T15:41:07,163 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-29T15:41:07,165 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-29T15:41:07,168 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2021-07-29T15:41:07,171 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericMOFs 2021-07-29T15:41:07,172 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericMOFs/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericMOFs 2021-07-29T15:41:07,174 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/GenericMOFs/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericMOFs 2021-07-29T15:41:07,178 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-29T15:41:07,179 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-29T15:41:07,182 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-29T15:41:07,186 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CrystalGenerator/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2021-07-29T15:41:07,189 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-29T15:41:07,189 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-29T15:41:07,192 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-29T15:41:07,194 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2021-07-29T15:41:07,197 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2021-07-29T15:41:07,198 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2021-07-29T15:41:07,201 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2021-07-29T15:41:07,203 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/TraPPE/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2021-07-29T15:41:07,206 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-29T15:41:07,207 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-29T15:41:07,209 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-29T15:41:07,212 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2021-07-29T15:41:07,217 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-29T15:41:07,219 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-29T15:41:07,221 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-29T15:41:07,224 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2021-07-29T15:41:07,227 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2021-07-29T15:41:07,228 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2021-07-29T15:41:07,231 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2021-07-29T15:41:07,233 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Nicholas/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2021-07-29T15:41:07,236 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-29T15:41:07,237 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-29T15:41:07,239 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-29T15:41:07,242 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2021-07-29T15:41:07,245 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-29T15:41:07,246 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-29T15:41:07,249 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-29T15:41:07,252 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2021-07-29T15:41:07,255 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules 2021-07-29T15:41:07,256 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:41:07,257 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/pentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:41:07,260 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/methane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:41:07,262 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/propane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:41:07,264 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/isobutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:41:07,266 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/heptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:41:07,268 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/dimethylpropane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:41:07,270 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/2-methylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:41:07,272 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/butane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:41:07,274 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/CO2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:41:07,277 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/ethane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:41:07,279 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-UA/2-methylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2021-07-29T15:41:07,282 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-EH 2021-07-29T15:41:07,282 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE-EH/methane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-EH 2021-07-29T15:41:07,285 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-29T15:41:07,286 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/p-xylene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-29T15:41:07,289 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/toluene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-29T15:41:07,291 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/m-xylene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-29T15:41:07,293 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/o-xylene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-29T15:41:07,295 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/benzene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2021-07-29T15:41:07,298 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/Generic 2021-07-29T15:41:07,299 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/Generic/methane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/Generic 2021-07-29T15:41:07,301 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/Generic/argon.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/Generic 2021-07-29T15:41:07,303 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/Generic/CO2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/Generic 2021-07-29T15:41:07,305 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/Generic/N2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/Generic 2021-07-29T15:41:07,307 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/Generic/helium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/Generic 2021-07-29T15:41:07,310 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/EPM2 2021-07-29T15:41:07,311 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/EPM2/CO2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/EPM2 2021-07-29T15:41:07,317 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,318 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/NaCl.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,320 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/formaldehyde.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,322 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/methanol.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,324 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/3-methylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,326 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C1.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,329 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/pentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,331 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/H2S.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,333 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/methane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,335 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C19.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,338 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/LJ1.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,341 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/propene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,343 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C16.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,345 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/27dmC8.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,347 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,349 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C24.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,352 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/sodium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,354 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/xenon.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,356 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/24dmC8.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,358 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-trans-butene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,360 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-methylheptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,362 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/4mC9.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,364 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C17.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,366 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/kalium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,368 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C11.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,371 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/chromene_R_flexible.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,374 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/33-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,376 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/223-trimethylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,378 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/isooctane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,381 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/propane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,383 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_R.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,385 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/33-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,387 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/isobutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,390 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C25.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,392 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C12.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,395 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/IonN.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,397 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/AsH3.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,399 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/CO.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,401 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C28.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,404 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/hexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,406 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/24-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,408 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/1-butene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,417 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/hexadecane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,420 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/argon.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,422 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/3mC9.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,426 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/BDC.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,438 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/23-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,443 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/IonP.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,446 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-cis-butene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,448 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/neopentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,451 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C15.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,453 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/23-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,456 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C27.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,458 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C2H2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,461 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/H2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,463 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C3.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,465 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/22-dimethylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,468 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-cis.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,470 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/heptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,473 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/dimethylpropane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,475 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/calcium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,476 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C6.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,478 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C26.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,481 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C10.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,483 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/25-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,485 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/none.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,487 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/4-methylheptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,489 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C7.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,491 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/ethene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,493 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-methylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,495 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C20.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,497 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/octane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,499 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C18.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,502 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C22.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,504 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/22dmC8.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,506 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/224-trimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,508 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/O2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,510 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/undecane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,512 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/butane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,514 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C21.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,516 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/CO2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,518 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/hydrogen.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,520 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/N2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,522 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/krypton.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,524 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-methylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,526 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/ethane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,528 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/chloride.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,531 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/Cl.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,533 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/LJ2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,535 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/dodecane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,537 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C13.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,539 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C23.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,542 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C8.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,544 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/Na.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,546 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/23-dimethylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,548 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C14.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,550 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-methylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,552 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/water.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,554 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/nonane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,556 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2mC9.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,559 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/ethanol.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,561 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_L.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,563 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/24-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,565 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/benzene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,567 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/22-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,569 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C4.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,571 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C9.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,573 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/3-methylheptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,575 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-trans.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,577 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/C5.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,579 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/helium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,581 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/22-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,584 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/3-methylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,585 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/PH3.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,588 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/molecules/TraPPE/decane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2021-07-29T15:41:07,591 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework 2021-07-29T15:41:07,593 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2021-07-29T15:41:07,594 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellSastreGale2005/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2021-07-29T15:41:07,596 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2021-07-29T15:41:07,597 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellSchroderSauer/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2021-07-29T15:41:07,600 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/AmirjalayerSchmid 2021-07-29T15:41:07,601 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/AmirjalayerSchmid/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/AmirjalayerSchmid 2021-07-29T15:41:07,604 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/DemontisModified 2021-07-29T15:41:07,605 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/DemontisModified/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/DemontisModified 2021-07-29T15:41:07,608 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2021-07-29T15:41:07,609 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2021-07-29T15:41:07,612 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Demontis 2021-07-29T15:41:07,613 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Demontis/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Demontis 2021-07-29T15:41:07,616 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellCatlow 2021-07-29T15:41:07,616 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/CoreShellCatlow/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellCatlow 2021-07-29T15:41:07,619 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/NicholasModified 2021-07-29T15:41:07,620 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/NicholasModified/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/NicholasModified 2021-07-29T15:41:07,623 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2021-07-29T15:41:07,625 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2021-07-29T15:41:07,628 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Nicholas 2021-07-29T15:41:07,630 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Nicholas/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Nicholas 2021-07-29T15:41:07,634 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2021-07-29T15:41:07,635 copying build/lib.linux-armv7l-3.9/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2021-07-29T15:41:07,638 copying build/lib.linux-armv7l-3.9/RASPA2/__init__.py -> build/bdist.linux-armv7l/wheel/RASPA2 2021-07-29T15:41:07,640 running install_egg_info 2021-07-29T15:41:07,652 Copying RASPA2.egg-info to build/bdist.linux-armv7l/wheel/RASPA2-2.0.4-py3.9.egg-info 2021-07-29T15:41:07,670 running install_scripts 2021-07-29T15:41:07,764 creating build/bdist.linux-armv7l/wheel/RASPA2-2.0.4.dist-info/WHEEL 2021-07-29T15:41:07,767 creating '/tmp/pip-wheel-gcnc3cnm/RASPA2-2.0.4-cp39-cp39-linux_armv7l.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2021-07-29T15:41:07,770 adding 'RASPA2/__init__.py' 2021-07-29T15:41:07,772 adding 'RASPA2/output_parser.py' 2021-07-29T15:41:07,775 adding 'RASPA2/raspa2.py' 2021-07-29T15:41:07,779 adding 'RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field.def' 2021-07-29T15:41:07,781 adding 'RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field_mixing_rules.def' 2021-07-29T15:41:07,782 adding 'RASPA2/share/raspa/forcefield/AmirjalayerSchmid/pseudo_atoms.def' 2021-07-29T15:41:07,784 adding 'RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field.def' 2021-07-29T15:41:07,785 adding 'RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def' 2021-07-29T15:41:07,787 adding 'RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/pseudo_atoms.def' 2021-07-29T15:41:07,789 adding 'RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field.def' 2021-07-29T15:41:07,790 adding 'RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field_mixing_rules.def' 2021-07-29T15:41:07,791 adding 'RASPA2/share/raspa/forcefield/CoreShellCatlow/pseudo_atoms.def' 2021-07-29T15:41:07,793 adding 'RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field.def' 2021-07-29T15:41:07,794 adding 'RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def' 2021-07-29T15:41:07,796 adding 'RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/pseudo_atoms.def' 2021-07-29T15:41:07,798 adding 'RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field.def' 2021-07-29T15:41:07,799 adding 'RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def' 2021-07-29T15:41:07,800 adding 'RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/pseudo_atoms.def' 2021-07-29T15:41:07,802 adding 'RASPA2/share/raspa/forcefield/CrystalGenerator/force_field.def' 2021-07-29T15:41:07,804 adding 'RASPA2/share/raspa/forcefield/CrystalGenerator/force_field_mixing_rules.def' 2021-07-29T15:41:07,805 adding 'RASPA2/share/raspa/forcefield/CrystalGenerator/pseudo_atoms.def' 2021-07-29T15:41:07,807 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def' 2021-07-29T15:41:07,809 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def' 2021-07-29T15:41:07,810 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def' 2021-07-29T15:41:07,812 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def' 2021-07-29T15:41:07,813 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def' 2021-07-29T15:41:07,814 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def' 2021-07-29T15:41:07,816 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def' 2021-07-29T15:41:07,817 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def' 2021-07-29T15:41:07,819 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def' 2021-07-29T15:41:07,821 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field.def' 2021-07-29T15:41:07,822 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def' 2021-07-29T15:41:07,823 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def' 2021-07-29T15:41:07,825 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field.def' 2021-07-29T15:41:07,827 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def' 2021-07-29T15:41:07,828 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def' 2021-07-29T15:41:07,830 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field.def' 2021-07-29T15:41:07,831 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def' 2021-07-29T15:41:07,833 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def' 2021-07-29T15:41:07,835 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field.def' 2021-07-29T15:41:07,836 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def' 2021-07-29T15:41:07,837 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def' 2021-07-29T15:41:07,839 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field.def' 2021-07-29T15:41:07,841 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def' 2021-07-29T15:41:07,842 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def' 2021-07-29T15:41:07,844 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field.def' 2021-07-29T15:41:07,845 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def' 2021-07-29T15:41:07,847 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def' 2021-07-29T15:41:07,849 adding 'RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field.def' 2021-07-29T15:41:07,850 adding 'RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field_mixing_rules.def' 2021-07-29T15:41:07,851 adding 'RASPA2/share/raspa/forcefield/GarciaPerez2006/pseudo_atoms.def' 2021-07-29T15:41:07,853 adding 'RASPA2/share/raspa/forcefield/GenericMOFs/force_field_mixing_rules.def' 2021-07-29T15:41:07,855 adding 'RASPA2/share/raspa/forcefield/GenericMOFs/pseudo_atoms.def' 2021-07-29T15:41:07,857 adding 'RASPA2/share/raspa/forcefield/GenericZeolites/force_field_mixing_rules.def' 2021-07-29T15:41:07,858 adding 'RASPA2/share/raspa/forcefield/GenericZeolites/pseudo_atoms.def' 2021-07-29T15:41:07,860 adding 'RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field.def' 2021-07-29T15:41:07,861 adding 'RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def' 2021-07-29T15:41:07,863 adding 'RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def' 2021-07-29T15:41:07,865 adding 'RASPA2/share/raspa/forcefield/Nicholas/force_field.def' 2021-07-29T15:41:07,866 adding 'RASPA2/share/raspa/forcefield/Nicholas/force_field_mixing_rules.def' 2021-07-29T15:41:07,867 adding 'RASPA2/share/raspa/forcefield/Nicholas/pseudo_atoms.def' 2021-07-29T15:41:07,869 adding 'RASPA2/share/raspa/forcefield/Pascual2004/force_field.def' 2021-07-29T15:41:07,870 adding 'RASPA2/share/raspa/forcefield/Pascual2004/force_field_mixing_rules.def' 2021-07-29T15:41:07,871 adding 'RASPA2/share/raspa/forcefield/Pascual2004/pseudo_atoms.def' 2021-07-29T15:41:07,873 adding 'RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field.def' 2021-07-29T15:41:07,874 adding 'RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field_mixing_rules.def' 2021-07-29T15:41:07,875 adding 'RASPA2/share/raspa/forcefield/RigidIonKramer1991/pseudo_atoms.def' 2021-07-29T15:41:07,877 adding 'RASPA2/share/raspa/forcefield/TraPPE/force_field.def' 2021-07-29T15:41:07,878 adding 'RASPA2/share/raspa/forcefield/TraPPE/force_field_mixing_rules.def' 2021-07-29T15:41:07,880 adding 'RASPA2/share/raspa/forcefield/TraPPE/pseudo_atoms.def' 2021-07-29T15:41:07,882 adding 'RASPA2/share/raspa/framework/AmirjalayerSchmid/framework.def' 2021-07-29T15:41:07,884 adding 'RASPA2/share/raspa/framework/CoreShellCatlow/framework.def' 2021-07-29T15:41:07,886 adding 'RASPA2/share/raspa/framework/CoreShellSastreGale2005/framework.def' 2021-07-29T15:41:07,888 adding 'RASPA2/share/raspa/framework/CoreShellSchroderSauer/framework.def' 2021-07-29T15:41:07,890 adding 'RASPA2/share/raspa/framework/Demontis/framework.def' 2021-07-29T15:41:07,891 adding 'RASPA2/share/raspa/framework/DemontisModified/framework.def' 2021-07-29T15:41:07,893 adding 'RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1/framework.def' 2021-07-29T15:41:07,895 adding 'RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10/framework.def' 2021-07-29T15:41:07,897 adding 'RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16/framework.def' 2021-07-29T15:41:07,899 adding 'RASPA2/share/raspa/framework/Nicholas/framework.def' 2021-07-29T15:41:07,901 adding 'RASPA2/share/raspa/framework/NicholasModified/framework.def' 2021-07-29T15:41:07,903 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/benzene.def' 2021-07-29T15:41:07,904 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/m-xylene.def' 2021-07-29T15:41:07,906 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/o-xylene.def' 2021-07-29T15:41:07,907 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/p-xylene.def' 2021-07-29T15:41:07,908 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/toluene.def' 2021-07-29T15:41:07,910 adding 'RASPA2/share/raspa/molecules/EPM2/CO2.def' 2021-07-29T15:41:07,912 adding 'RASPA2/share/raspa/molecules/Generic/CO2.def' 2021-07-29T15:41:07,913 adding 'RASPA2/share/raspa/molecules/Generic/N2.def' 2021-07-29T15:41:07,914 adding 'RASPA2/share/raspa/molecules/Generic/argon.def' 2021-07-29T15:41:07,915 adding 'RASPA2/share/raspa/molecules/Generic/helium.def' 2021-07-29T15:41:07,916 adding 'RASPA2/share/raspa/molecules/Generic/methane.def' 2021-07-29T15:41:07,921 adding 'RASPA2/share/raspa/molecules/TraPPE/1-butene.def' 2021-07-29T15:41:07,923 adding 'RASPA2/share/raspa/molecules/TraPPE/2-cis-butene.def' 2021-07-29T15:41:07,924 adding 'RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-cis.def' 2021-07-29T15:41:07,925 adding 'RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-trans.def' 2021-07-29T15:41:07,926 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylbutane.def' 2021-07-29T15:41:07,928 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylheptane.def' 2021-07-29T15:41:07,929 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylhexane.def' 2021-07-29T15:41:07,930 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylpentane.def' 2021-07-29T15:41:07,931 adding 'RASPA2/share/raspa/molecules/TraPPE/2-trans-butene.def' 2021-07-29T15:41:07,933 adding 'RASPA2/share/raspa/molecules/TraPPE/22-dimethylbutane.def' 2021-07-29T15:41:07,934 adding 'RASPA2/share/raspa/molecules/TraPPE/22-dimethylhexane.def' 2021-07-29T15:41:07,935 adding 'RASPA2/share/raspa/molecules/TraPPE/22-dimethylpentane.def' 2021-07-29T15:41:07,936 adding 'RASPA2/share/raspa/molecules/TraPPE/223-trimethylbutane.def' 2021-07-29T15:41:07,938 adding 'RASPA2/share/raspa/molecules/TraPPE/224-trimethylpentane.def' 2021-07-29T15:41:07,939 adding 'RASPA2/share/raspa/molecules/TraPPE/22dmC8.def' 2021-07-29T15:41:07,940 adding 'RASPA2/share/raspa/molecules/TraPPE/23-dimethylbutane.def' 2021-07-29T15:41:07,941 adding 'RASPA2/share/raspa/molecules/TraPPE/23-dimethylhexane.def' 2021-07-29T15:41:07,943 adding 'RASPA2/share/raspa/molecules/TraPPE/23-dimethylpentane.def' 2021-07-29T15:41:07,944 adding 'RASPA2/share/raspa/molecules/TraPPE/24-dimethylhexane.def' 2021-07-29T15:41:07,945 adding 'RASPA2/share/raspa/molecules/TraPPE/24-dimethylpentane.def' 2021-07-29T15:41:07,946 adding 'RASPA2/share/raspa/molecules/TraPPE/24dmC8.def' 2021-07-29T15:41:07,947 adding 'RASPA2/share/raspa/molecules/TraPPE/25-dimethylhexane.def' 2021-07-29T15:41:07,949 adding 'RASPA2/share/raspa/molecules/TraPPE/27dmC8.def' 2021-07-29T15:41:07,950 adding 'RASPA2/share/raspa/molecules/TraPPE/2mC9.def' 2021-07-29T15:41:07,951 adding 'RASPA2/share/raspa/molecules/TraPPE/3-methylheptane.def' 2021-07-29T15:41:07,952 adding 'RASPA2/share/raspa/molecules/TraPPE/3-methylhexane.def' 2021-07-29T15:41:07,953 adding 'RASPA2/share/raspa/molecules/TraPPE/3-methylpentane.def' 2021-07-29T15:41:07,955 adding 'RASPA2/share/raspa/molecules/TraPPE/33-dimethylhexane.def' 2021-07-29T15:41:07,956 adding 'RASPA2/share/raspa/molecules/TraPPE/33-dimethylpentane.def' 2021-07-29T15:41:07,957 adding 'RASPA2/share/raspa/molecules/TraPPE/3mC9.def' 2021-07-29T15:41:07,958 adding 'RASPA2/share/raspa/molecules/TraPPE/4-methylheptane.def' 2021-07-29T15:41:07,959 adding 'RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_L.def' 2021-07-29T15:41:07,961 adding 'RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_R.def' 2021-07-29T15:41:07,962 adding 'RASPA2/share/raspa/molecules/TraPPE/4mC9.def' 2021-07-29T15:41:07,963 adding 'RASPA2/share/raspa/molecules/TraPPE/AsH3.def' 2021-07-29T15:41:07,964 adding 'RASPA2/share/raspa/molecules/TraPPE/BDC.def' 2021-07-29T15:41:07,966 adding 'RASPA2/share/raspa/molecules/TraPPE/C1.def' 2021-07-29T15:41:07,967 adding 'RASPA2/share/raspa/molecules/TraPPE/C10.def' 2021-07-29T15:41:07,968 adding 'RASPA2/share/raspa/molecules/TraPPE/C11.def' 2021-07-29T15:41:07,969 adding 'RASPA2/share/raspa/molecules/TraPPE/C12.def' 2021-07-29T15:41:07,970 adding 'RASPA2/share/raspa/molecules/TraPPE/C13.def' 2021-07-29T15:41:07,972 adding 'RASPA2/share/raspa/molecules/TraPPE/C14.def' 2021-07-29T15:41:07,973 adding 'RASPA2/share/raspa/molecules/TraPPE/C15.def' 2021-07-29T15:41:07,974 adding 'RASPA2/share/raspa/molecules/TraPPE/C16.def' 2021-07-29T15:41:07,975 adding 'RASPA2/share/raspa/molecules/TraPPE/C17.def' 2021-07-29T15:41:07,977 adding 'RASPA2/share/raspa/molecules/TraPPE/C18.def' 2021-07-29T15:41:07,978 adding 'RASPA2/share/raspa/molecules/TraPPE/C19.def' 2021-07-29T15:41:07,979 adding 'RASPA2/share/raspa/molecules/TraPPE/C2.def' 2021-07-29T15:41:07,980 adding 'RASPA2/share/raspa/molecules/TraPPE/C20.def' 2021-07-29T15:41:07,982 adding 'RASPA2/share/raspa/molecules/TraPPE/C21.def' 2021-07-29T15:41:07,983 adding 'RASPA2/share/raspa/molecules/TraPPE/C22.def' 2021-07-29T15:41:07,984 adding 'RASPA2/share/raspa/molecules/TraPPE/C23.def' 2021-07-29T15:41:07,986 adding 'RASPA2/share/raspa/molecules/TraPPE/C24.def' 2021-07-29T15:41:07,987 adding 'RASPA2/share/raspa/molecules/TraPPE/C25.def' 2021-07-29T15:41:07,989 adding 'RASPA2/share/raspa/molecules/TraPPE/C26.def' 2021-07-29T15:41:07,990 adding 'RASPA2/share/raspa/molecules/TraPPE/C27.def' 2021-07-29T15:41:07,992 adding 'RASPA2/share/raspa/molecules/TraPPE/C28.def' 2021-07-29T15:41:07,993 adding 'RASPA2/share/raspa/molecules/TraPPE/C2H2.def' 2021-07-29T15:41:07,994 adding 'RASPA2/share/raspa/molecules/TraPPE/C3.def' 2021-07-29T15:41:07,995 adding 'RASPA2/share/raspa/molecules/TraPPE/C4.def' 2021-07-29T15:41:07,996 adding 'RASPA2/share/raspa/molecules/TraPPE/C5.def' 2021-07-29T15:41:07,998 adding 'RASPA2/share/raspa/molecules/TraPPE/C6.def' 2021-07-29T15:41:07,999 adding 'RASPA2/share/raspa/molecules/TraPPE/C7.def' 2021-07-29T15:41:08,000 adding 'RASPA2/share/raspa/molecules/TraPPE/C8.def' 2021-07-29T15:41:08,001 adding 'RASPA2/share/raspa/molecules/TraPPE/C9.def' 2021-07-29T15:41:08,002 adding 'RASPA2/share/raspa/molecules/TraPPE/CO.def' 2021-07-29T15:41:08,003 adding 'RASPA2/share/raspa/molecules/TraPPE/CO2.def' 2021-07-29T15:41:08,005 adding 'RASPA2/share/raspa/molecules/TraPPE/Cl.def' 2021-07-29T15:41:08,006 adding 'RASPA2/share/raspa/molecules/TraPPE/H2.def' 2021-07-29T15:41:08,007 adding 'RASPA2/share/raspa/molecules/TraPPE/H2S.def' 2021-07-29T15:41:08,008 adding 'RASPA2/share/raspa/molecules/TraPPE/IonN.def' 2021-07-29T15:41:08,009 adding 'RASPA2/share/raspa/molecules/TraPPE/IonP.def' 2021-07-29T15:41:08,010 adding 'RASPA2/share/raspa/molecules/TraPPE/LJ1.def' 2021-07-29T15:41:08,011 adding 'RASPA2/share/raspa/molecules/TraPPE/LJ2.def' 2021-07-29T15:41:08,012 adding 'RASPA2/share/raspa/molecules/TraPPE/N2.def' 2021-07-29T15:41:08,014 adding 'RASPA2/share/raspa/molecules/TraPPE/Na.def' 2021-07-29T15:41:08,015 adding 'RASPA2/share/raspa/molecules/TraPPE/NaCl.def' 2021-07-29T15:41:08,016 adding 'RASPA2/share/raspa/molecules/TraPPE/O2.def' 2021-07-29T15:41:08,017 adding 'RASPA2/share/raspa/molecules/TraPPE/PH3.def' 2021-07-29T15:41:08,018 adding 'RASPA2/share/raspa/molecules/TraPPE/argon.def' 2021-07-29T15:41:08,019 adding 'RASPA2/share/raspa/molecules/TraPPE/benzene.def' 2021-07-29T15:41:08,021 adding 'RASPA2/share/raspa/molecules/TraPPE/butane.def' 2021-07-29T15:41:08,022 adding 'RASPA2/share/raspa/molecules/TraPPE/calcium.def' 2021-07-29T15:41:08,023 adding 'RASPA2/share/raspa/molecules/TraPPE/chloride.def' 2021-07-29T15:41:08,025 adding 'RASPA2/share/raspa/molecules/TraPPE/chromene_R_flexible.def' 2021-07-29T15:41:08,026 adding 'RASPA2/share/raspa/molecules/TraPPE/decane.def' 2021-07-29T15:41:08,027 adding 'RASPA2/share/raspa/molecules/TraPPE/dimethylpropane.def' 2021-07-29T15:41:08,028 adding 'RASPA2/share/raspa/molecules/TraPPE/dodecane.def' 2021-07-29T15:41:08,029 adding 'RASPA2/share/raspa/molecules/TraPPE/ethane.def' 2021-07-29T15:41:08,031 adding 'RASPA2/share/raspa/molecules/TraPPE/ethanol.def' 2021-07-29T15:41:08,032 adding 'RASPA2/share/raspa/molecules/TraPPE/ethene.def' 2021-07-29T15:41:08,033 adding 'RASPA2/share/raspa/molecules/TraPPE/formaldehyde.def' 2021-07-29T15:41:08,034 adding 'RASPA2/share/raspa/molecules/TraPPE/helium.def' 2021-07-29T15:41:08,035 adding 'RASPA2/share/raspa/molecules/TraPPE/heptane.def' 2021-07-29T15:41:08,037 adding 'RASPA2/share/raspa/molecules/TraPPE/hexadecane.def' 2021-07-29T15:41:08,038 adding 'RASPA2/share/raspa/molecules/TraPPE/hexane.def' 2021-07-29T15:41:08,039 adding 'RASPA2/share/raspa/molecules/TraPPE/hydrogen.def' 2021-07-29T15:41:08,041 adding 'RASPA2/share/raspa/molecules/TraPPE/isobutane.def' 2021-07-29T15:41:08,042 adding 'RASPA2/share/raspa/molecules/TraPPE/isooctane.def' 2021-07-29T15:41:08,043 adding 'RASPA2/share/raspa/molecules/TraPPE/kalium.def' 2021-07-29T15:41:08,044 adding 'RASPA2/share/raspa/molecules/TraPPE/krypton.def' 2021-07-29T15:41:08,046 adding 'RASPA2/share/raspa/molecules/TraPPE/methane.def' 2021-07-29T15:41:08,047 adding 'RASPA2/share/raspa/molecules/TraPPE/methanol.def' 2021-07-29T15:41:08,048 adding 'RASPA2/share/raspa/molecules/TraPPE/neopentane.def' 2021-07-29T15:41:08,049 adding 'RASPA2/share/raspa/molecules/TraPPE/nonane.def' 2021-07-29T15:41:08,050 adding 'RASPA2/share/raspa/molecules/TraPPE/none.def' 2021-07-29T15:41:08,051 adding 'RASPA2/share/raspa/molecules/TraPPE/octane.def' 2021-07-29T15:41:08,053 adding 'RASPA2/share/raspa/molecules/TraPPE/pentane.def' 2021-07-29T15:41:08,054 adding 'RASPA2/share/raspa/molecules/TraPPE/propane.def' 2021-07-29T15:41:08,055 adding 'RASPA2/share/raspa/molecules/TraPPE/propene.def' 2021-07-29T15:41:08,056 adding 'RASPA2/share/raspa/molecules/TraPPE/sodium.def' 2021-07-29T15:41:08,057 adding 'RASPA2/share/raspa/molecules/TraPPE/undecane.def' 2021-07-29T15:41:08,058 adding 'RASPA2/share/raspa/molecules/TraPPE/water.def' 2021-07-29T15:41:08,059 adding 'RASPA2/share/raspa/molecules/TraPPE/xenon.def' 2021-07-29T15:41:08,061 adding 'RASPA2/share/raspa/molecules/TraPPE-EH/methane.def' 2021-07-29T15:41:08,063 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/2-methylbutane.def' 2021-07-29T15:41:08,064 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/2-methylpentane.def' 2021-07-29T15:41:08,065 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/CO2.def' 2021-07-29T15:41:08,067 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/butane.def' 2021-07-29T15:41:08,068 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/dimethylpropane.def' 2021-07-29T15:41:08,069 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/ethane.def' 2021-07-29T15:41:08,070 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/heptane.def' 2021-07-29T15:41:08,072 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/isobutane.def' 2021-07-29T15:41:08,073 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/methane.def' 2021-07-29T15:41:08,074 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/pentane.def' 2021-07-29T15:41:08,075 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/propane.def' 2021-07-29T15:41:08,078 adding 'RASPA2/share/raspa/structures/block/ATS.block' 2021-07-29T15:41:08,079 adding 'RASPA2/share/raspa/structures/block/BOG_SI.block' 2021-07-29T15:41:08,080 adding 'RASPA2/share/raspa/structures/block/CHA_SI.block' 2021-07-29T15:41:08,081 adding 'RASPA2/share/raspa/structures/block/DDR.block' 2021-07-29T15:41:08,082 adding 'RASPA2/share/raspa/structures/block/DDR_ortho.block' 2021-07-29T15:41:08,083 adding 'RASPA2/share/raspa/structures/block/ERI_SI.block' 2021-07-29T15:41:08,085 adding 'RASPA2/share/raspa/structures/block/FAU.block' 2021-07-29T15:41:08,086 adding 'RASPA2/share/raspa/structures/block/FER.block' 2021-07-29T15:41:08,087 adding 'RASPA2/share/raspa/structures/block/GME.block' 2021-07-29T15:41:08,088 adding 'RASPA2/share/raspa/structures/block/ITQ-12.block' 2021-07-29T15:41:08,089 adding 'RASPA2/share/raspa/structures/block/ITQ-29-2x2x2.block' 2021-07-29T15:41:08,090 adding 'RASPA2/share/raspa/structures/block/ITQ-29.block' 2021-07-29T15:41:08,091 adding 'RASPA2/share/raspa/structures/block/ITQ-3.block' 2021-07-29T15:41:08,092 adding 'RASPA2/share/raspa/structures/block/LTA_SI.block' 2021-07-29T15:41:08,093 adding 'RASPA2/share/raspa/structures/block/LTL_SI.block' 2021-07-29T15:41:08,095 adding 'RASPA2/share/raspa/structures/block/MFI_Olson.block' 2021-07-29T15:41:08,096 adding 'RASPA2/share/raspa/structures/block/MFI_SI.block' 2021-07-29T15:41:08,097 adding 'RASPA2/share/raspa/structures/block/MFI_mono.block' 2021-07-29T15:41:08,098 adding 'RASPA2/share/raspa/structures/block/MOR_SI.block' 2021-07-29T15:41:08,099 adding 'RASPA2/share/raspa/structures/block/MTW.block' 2021-07-29T15:41:08,100 adding 'RASPA2/share/raspa/structures/block/TON.block' 2021-07-29T15:41:08,101 adding 'RASPA2/share/raspa/structures/block/test.block' 2021-07-29T15:41:08,108 adding 'RASPA2/share/raspa/structures/cif/AEL.cif' 2021-07-29T15:41:08,110 adding 'RASPA2/share/raspa/structures/cif/AFI_SI.cif' 2021-07-29T15:41:08,111 adding 'RASPA2/share/raspa/structures/cif/AFX_SI.cif' 2021-07-29T15:41:08,112 adding 'RASPA2/share/raspa/structures/cif/ATS.cif' 2021-07-29T15:41:08,114 adding 'RASPA2/share/raspa/structures/cif/AlPO-17.cif' 2021-07-29T15:41:08,115 adding 'RASPA2/share/raspa/structures/cif/AlPO-5.cif' 2021-07-29T15:41:08,116 adding 'RASPA2/share/raspa/structures/cif/BEA.cif' 2021-07-29T15:41:08,118 adding 'RASPA2/share/raspa/structures/cif/BOG_SI.cif' 2021-07-29T15:41:08,120 adding 'RASPA2/share/raspa/structures/cif/CAN-12.cif' 2021-07-29T15:41:08,121 adding 'RASPA2/share/raspa/structures/cif/CFI.cif' 2021-07-29T15:41:08,122 adding 'RASPA2/share/raspa/structures/cif/CHA_SI.cif' 2021-07-29T15:41:08,124 adding 'RASPA2/share/raspa/structures/cif/CHA_SI_mono.cif' 2021-07-29T15:41:08,125 adding 'RASPA2/share/raspa/structures/cif/COF-1.cif' 2021-07-29T15:41:08,126 adding 'RASPA2/share/raspa/structures/cif/COF-102.cif' 2021-07-29T15:41:08,128 adding 'RASPA2/share/raspa/structures/cif/COF-103.cif' 2021-07-29T15:41:08,129 adding 'RASPA2/share/raspa/structures/cif/COF-105.cif' 2021-07-29T15:41:08,131 adding 'RASPA2/share/raspa/structures/cif/COF-108.cif' 2021-07-29T15:41:08,132 adding 'RASPA2/share/raspa/structures/cif/COF-202.cif' 2021-07-29T15:41:08,133 adding 'RASPA2/share/raspa/structures/cif/COF-300.cif' 2021-07-29T15:41:08,135 adding 'RASPA2/share/raspa/structures/cif/COF-5.cif' 2021-07-29T15:41:08,136 adding 'RASPA2/share/raspa/structures/cif/CON.cif' 2021-07-29T15:41:08,137 adding 'RASPA2/share/raspa/structures/cif/Cd3BTB2.cif' 2021-07-29T15:41:08,139 adding 'RASPA2/share/raspa/structures/cif/Co(2,6-NDP).cif' 2021-07-29T15:41:08,140 adding 'RASPA2/share/raspa/structures/cif/Co-DOBDC.cif' 2021-07-29T15:41:08,142 adding 'RASPA2/share/raspa/structures/cif/CoBDP-Dubbeldam.cif' 2021-07-29T15:41:08,144 adding 'RASPA2/share/raspa/structures/cif/CoBDP.cif' 2021-07-29T15:41:08,145 adding 'RASPA2/share/raspa/structures/cif/Cu-BTC.cif' 2021-07-29T15:41:08,146 adding 'RASPA2/share/raspa/structures/cif/DDR.cif' 2021-07-29T15:41:08,148 adding 'RASPA2/share/raspa/structures/cif/DON.cif' 2021-07-29T15:41:08,149 adding 'RASPA2/share/raspa/structures/cif/EMT.cif' 2021-07-29T15:41:08,150 adding 'RASPA2/share/raspa/structures/cif/ERI_SI.cif' 2021-07-29T15:41:08,152 adding 'RASPA2/share/raspa/structures/cif/FAU_SI.cif' 2021-07-29T15:41:08,153 adding 'RASPA2/share/raspa/structures/cif/FER.cif' 2021-07-29T15:41:08,155 adding 'RASPA2/share/raspa/structures/cif/GME.cif' 2021-07-29T15:41:08,156 adding 'RASPA2/share/raspa/structures/cif/IRMOF-1-Ar.cif' 2021-07-29T15:41:08,158 adding 'RASPA2/share/raspa/structures/cif/IRMOF-1.cif' 2021-07-29T15:41:08,159 adding 'RASPA2/share/raspa/structures/cif/IRMOF-10.cif' 2021-07-29T15:41:08,172 adding 'RASPA2/share/raspa/structures/cif/IRMOF-11.cif' 2021-07-29T15:41:08,176 adding 'RASPA2/share/raspa/structures/cif/IRMOF-12.cif' 2021-07-29T15:41:08,178 adding 'RASPA2/share/raspa/structures/cif/IRMOF-13.cif' 2021-07-29T15:41:08,180 adding 'RASPA2/share/raspa/structures/cif/IRMOF-14.cif' 2021-07-29T15:41:08,182 adding 'RASPA2/share/raspa/structures/cif/IRMOF-15.cif' 2021-07-29T15:41:08,186 adding 'RASPA2/share/raspa/structures/cif/IRMOF-16.cif' 2021-07-29T15:41:08,189 adding 'RASPA2/share/raspa/structures/cif/IRMOF-2.cif' 2021-07-29T15:41:08,192 adding 'RASPA2/share/raspa/structures/cif/IRMOF-3.cif' 2021-07-29T15:41:08,196 adding 'RASPA2/share/raspa/structures/cif/IRMOF-4.cif' 2021-07-29T15:41:08,202 adding 'RASPA2/share/raspa/structures/cif/IRMOF-5.cif' 2021-07-29T15:41:08,205 adding 'RASPA2/share/raspa/structures/cif/IRMOF-6.cif' 2021-07-29T15:41:08,208 adding 'RASPA2/share/raspa/structures/cif/IRMOF-7.cif' 2021-07-29T15:41:08,211 adding 'RASPA2/share/raspa/structures/cif/IRMOF-8.cif' 2021-07-29T15:41:08,213 adding 'RASPA2/share/raspa/structures/cif/IRMOF-9.cif' 2021-07-29T15:41:08,214 adding 'RASPA2/share/raspa/structures/cif/ISV.cif' 2021-07-29T15:41:08,215 adding 'RASPA2/share/raspa/structures/cif/ITQ-1.cif' 2021-07-29T15:41:08,217 adding 'RASPA2/share/raspa/structures/cif/ITQ-12.cif' 2021-07-29T15:41:08,220 adding 'RASPA2/share/raspa/structures/cif/ITQ-29-2x2x2.cif' 2021-07-29T15:41:08,221 adding 'RASPA2/share/raspa/structures/cif/ITQ-29.cif' 2021-07-29T15:41:08,223 adding 'RASPA2/share/raspa/structures/cif/ITQ-3.cif' 2021-07-29T15:41:08,224 adding 'RASPA2/share/raspa/structures/cif/ITQ-7.cif' 2021-07-29T15:41:08,225 adding 'RASPA2/share/raspa/structures/cif/KFI.cif' 2021-07-29T15:41:08,226 adding 'RASPA2/share/raspa/structures/cif/LAU.cif' 2021-07-29T15:41:08,228 adding 'RASPA2/share/raspa/structures/cif/LEV.cif' 2021-07-29T15:41:08,229 adding 'RASPA2/share/raspa/structures/cif/LTA4A.cif' 2021-07-29T15:41:08,230 adding 'RASPA2/share/raspa/structures/cif/LTA5A.cif' 2021-07-29T15:41:08,232 adding 'RASPA2/share/raspa/structures/cif/LTA_SI.cif' 2021-07-29T15:41:08,233 adding 'RASPA2/share/raspa/structures/cif/LTL_SI.cif' 2021-07-29T15:41:08,235 adding 'RASPA2/share/raspa/structures/cif/MAF-X8.cif' 2021-07-29T15:41:08,237 adding 'RASPA2/share/raspa/structures/cif/MAZ.cif' 2021-07-29T15:41:08,238 adding 'RASPA2/share/raspa/structures/cif/MEI.cif' 2021-07-29T15:41:08,239 adding 'RASPA2/share/raspa/structures/cif/MEL.cif' 2021-07-29T15:41:08,241 adding 'RASPA2/share/raspa/structures/cif/MFI_SI.cif' 2021-07-29T15:41:08,242 adding 'RASPA2/share/raspa/structures/cif/MFI_SI_Olson.cif' 2021-07-29T15:41:08,244 adding 'RASPA2/share/raspa/structures/cif/MFI_SI_mono.cif' 2021-07-29T15:41:08,246 adding 'RASPA2/share/raspa/structures/cif/MFI_para.cif' 2021-07-29T15:41:08,247 adding 'RASPA2/share/raspa/structures/cif/MFS.cif' 2021-07-29T15:41:08,263 adding 'RASPA2/share/raspa/structures/cif/MIL-100-primitive.cif' 2021-07-29T15:41:08,309 adding 'RASPA2/share/raspa/structures/cif/MIL-100.cif' 2021-07-29T15:41:08,335 adding 'RASPA2/share/raspa/structures/cif/MIL-101-primitive.cif' 2021-07-29T15:41:08,393 adding 'RASPA2/share/raspa/structures/cif/MIL-101.cif' 2021-07-29T15:41:08,402 adding 'RASPA2/share/raspa/structures/cif/MIL-140A-DFT.cif' 2021-07-29T15:41:08,403 adding 'RASPA2/share/raspa/structures/cif/MIL-140B-DFT.cif' 2021-07-29T15:41:08,404 adding 'RASPA2/share/raspa/structures/cif/MIL-140C-DFT.cif' 2021-07-29T15:41:08,406 adding 'RASPA2/share/raspa/structures/cif/MIL-140D-DFT.cif' 2021-07-29T15:41:08,407 adding 'RASPA2/share/raspa/structures/cif/MIL-47.cif' 2021-07-29T15:41:08,408 adding 'RASPA2/share/raspa/structures/cif/MIL-53(Cr)ht.cif' 2021-07-29T15:41:08,409 adding 'RASPA2/share/raspa/structures/cif/MIL-53(Cr)lt.cif' 2021-07-29T15:41:08,411 adding 'RASPA2/share/raspa/structures/cif/MIL-88A-dry.cif' 2021-07-29T15:41:08,412 adding 'RASPA2/share/raspa/structures/cif/MIL-88A-open.cif' 2021-07-29T15:41:08,413 adding 'RASPA2/share/raspa/structures/cif/MIL-88B-dry.cif' 2021-07-29T15:41:08,414 adding 'RASPA2/share/raspa/structures/cif/MIL-88B-open.cif' 2021-07-29T15:41:08,416 adding 'RASPA2/share/raspa/structures/cif/MIL-88C-dry.cif' 2021-07-29T15:41:08,417 adding 'RASPA2/share/raspa/structures/cif/MIL-88C-open.cif' 2021-07-29T15:41:08,418 adding 'RASPA2/share/raspa/structures/cif/MIL-88D-dry.cif' 2021-07-29T15:41:08,419 adding 'RASPA2/share/raspa/structures/cif/MIL-88D-open.cif' 2021-07-29T15:41:08,421 adding 'RASPA2/share/raspa/structures/cif/MOF-1-Dybtsev-dmol.cif' 2021-07-29T15:41:08,423 adding 'RASPA2/share/raspa/structures/cif/MOF-177.cif' 2021-07-29T15:41:08,431 adding 'RASPA2/share/raspa/structures/cif/MOF-177_ortho.cif' 2021-07-29T15:41:08,440 adding 'RASPA2/share/raspa/structures/cif/MOF-200.cif' 2021-07-29T15:41:08,444 adding 'RASPA2/share/raspa/structures/cif/MOF-205.cif' 2021-07-29T15:41:08,447 adding 'RASPA2/share/raspa/structures/cif/MOF-210-primitive.cif' 2021-07-29T15:41:08,450 adding 'RASPA2/share/raspa/structures/cif/MOF-210.cif' 2021-07-29T15:41:08,452 adding 'RASPA2/share/raspa/structures/cif/MOF-69c.cif' 2021-07-29T15:41:08,453 adding 'RASPA2/share/raspa/structures/cif/MOF-70.cif' 2021-07-29T15:41:08,455 adding 'RASPA2/share/raspa/structures/cif/MOF-72.cif' 2021-07-29T15:41:08,456 adding 'RASPA2/share/raspa/structures/cif/MOR_SI.cif' 2021-07-29T15:41:08,457 adding 'RASPA2/share/raspa/structures/cif/MTW_SI.cif' 2021-07-29T15:41:08,459 adding 'RASPA2/share/raspa/structures/cif/Mg-DOBDC.cif' 2021-07-29T15:41:08,460 adding 'RASPA2/share/raspa/structures/cif/MgMOF-74-VASP.cif' 2021-07-29T15:41:08,461 adding 'RASPA2/share/raspa/structures/cif/MgMOF-74-extended-VASP.cif' 2021-07-29T15:41:08,462 adding 'RASPA2/share/raspa/structures/cif/MgMOF-74.cif' 2021-07-29T15:41:08,466 adding 'RASPA2/share/raspa/structures/cif/NU-100SP-primitive.cif' 2021-07-29T15:41:08,478 adding 'RASPA2/share/raspa/structures/cif/NU-100SP.cif' 2021-07-29T15:41:08,483 adding 'RASPA2/share/raspa/structures/cif/NU-108-Cu-primitive.cif' 2021-07-29T15:41:08,485 adding 'RASPA2/share/raspa/structures/cif/NU-108-Cu.cif' 2021-07-29T15:41:08,490 adding 'RASPA2/share/raspa/structures/cif/NU-108-Zn.cif' 2021-07-29T15:41:08,492 adding 'RASPA2/share/raspa/structures/cif/NaX.cif' 2021-07-29T15:41:08,493 adding 'RASPA2/share/raspa/structures/cif/Ni-DOBDC.cif' 2021-07-29T15:41:08,494 adding 'RASPA2/share/raspa/structures/cif/OFF.cif' 2021-07-29T15:41:08,496 adding 'RASPA2/share/raspa/structures/cif/PAU.cif' 2021-07-29T15:41:08,498 adding 'RASPA2/share/raspa/structures/cif/PCN-60.cif' 2021-07-29T15:41:08,499 adding 'RASPA2/share/raspa/structures/cif/PCN-61.cif' 2021-07-29T15:41:08,502 adding 'RASPA2/share/raspa/structures/cif/PCN-68-primitive.cif' 2021-07-29T15:41:08,505 adding 'RASPA2/share/raspa/structures/cif/PCN-68.cif' 2021-07-29T15:41:08,506 adding 'RASPA2/share/raspa/structures/cif/RHO.cif' 2021-07-29T15:41:08,507 adding 'RASPA2/share/raspa/structures/cif/SAPO-47.cif' 2021-07-29T15:41:08,509 adding 'RASPA2/share/raspa/structures/cif/SAPO-56.cif' 2021-07-29T15:41:08,510 adding 'RASPA2/share/raspa/structures/cif/SFF.cif' 2021-07-29T15:41:08,511 adding 'RASPA2/share/raspa/structures/cif/SOD.cif' 2021-07-29T15:41:08,513 adding 'RASPA2/share/raspa/structures/cif/STF.cif' 2021-07-29T15:41:08,518 adding 'RASPA2/share/raspa/structures/cif/SWNT-1-14.cif' 2021-07-29T15:41:08,531 adding 'RASPA2/share/raspa/structures/cif/SWNT-1-23.cif' 2021-07-29T15:41:08,541 adding 'RASPA2/share/raspa/structures/cif/SWNT-10-11.cif' 2021-07-29T15:41:08,551 adding 'RASPA2/share/raspa/structures/cif/SWNT-10-13.cif' 2021-07-29T15:41:08,567 adding 'RASPA2/share/raspa/structures/cif/SWNT-11-18.cif' 2021-07-29T15:41:08,572 adding 'RASPA2/share/raspa/structures/cif/SWNT-3-11.cif' 2021-07-29T15:41:08,584 adding 'RASPA2/share/raspa/structures/cif/SWNT-3-20.cif' 2021-07-29T15:41:08,586 adding 'RASPA2/share/raspa/structures/cif/SWNT-3-9.cif' 2021-07-29T15:41:08,589 adding 'RASPA2/share/raspa/structures/cif/SWNT-4-14.cif' 2021-07-29T15:41:08,591 adding 'RASPA2/share/raspa/structures/cif/TON.cif' 2021-07-29T15:41:08,593 adding 'RASPA2/share/raspa/structures/cif/UIO-66.cif' 2021-07-29T15:41:08,596 adding 'RASPA2/share/raspa/structures/cif/UMCM-1.cif' 2021-07-29T15:41:08,597 adding 'RASPA2/share/raspa/structures/cif/VFI.cif' 2021-07-29T15:41:08,599 adding 'RASPA2/share/raspa/structures/cif/ZIF-1.cif' 2021-07-29T15:41:08,601 adding 'RASPA2/share/raspa/structures/cif/ZIF-10.cif' 2021-07-29T15:41:08,613 adding 'RASPA2/share/raspa/structures/cif/ZIF-11.cif' 2021-07-29T15:41:08,626 adding 'RASPA2/share/raspa/structures/cif/ZIF-12.cif' 2021-07-29T15:41:08,628 adding 'RASPA2/share/raspa/structures/cif/ZIF-2.cif' 2021-07-29T15:41:08,653 adding 'RASPA2/share/raspa/structures/cif/ZIF-20.cif' 2021-07-29T15:41:08,656 adding 'RASPA2/share/raspa/structures/cif/ZIF-3.cif' 2021-07-29T15:41:08,658 adding 'RASPA2/share/raspa/structures/cif/ZIF-4.cif' 2021-07-29T15:41:08,660 adding 'RASPA2/share/raspa/structures/cif/ZIF-5.cif' 2021-07-29T15:41:08,661 adding 'RASPA2/share/raspa/structures/cif/ZIF-6.cif' 2021-07-29T15:41:08,663 adding 'RASPA2/share/raspa/structures/cif/ZIF-68.cif' 2021-07-29T15:41:08,665 adding 'RASPA2/share/raspa/structures/cif/ZIF-69-crystal.cif' 2021-07-29T15:41:08,669 adding 'RASPA2/share/raspa/structures/cif/ZIF-69.cif' 2021-07-29T15:41:08,671 adding 'RASPA2/share/raspa/structures/cif/ZIF-7.cif' 2021-07-29T15:41:08,672 adding 'RASPA2/share/raspa/structures/cif/ZIF-71.cif' 2021-07-29T15:41:08,674 adding 'RASPA2/share/raspa/structures/cif/ZIF-77.cif' 2021-07-29T15:41:08,675 adding 'RASPA2/share/raspa/structures/cif/ZIF-8.cif' 2021-07-29T15:41:08,677 adding 'RASPA2/share/raspa/structures/cif/ZIF-80.cif' 2021-07-29T15:41:08,678 adding 'RASPA2/share/raspa/structures/cif/ZIF-9.cif' 2021-07-29T15:41:08,680 adding 'RASPA2/share/raspa/structures/cif/ZIF-90.cif' 2021-07-29T15:41:08,681 adding 'RASPA2/share/raspa/structures/cif/ZIF-93.cif' 2021-07-29T15:41:08,683 adding 'RASPA2/share/raspa/structures/cif/ZIF-96.cif' 2021-07-29T15:41:08,684 adding 'RASPA2/share/raspa/structures/cif/ZIF-97.cif' 2021-07-29T15:41:08,685 adding 'RASPA2/share/raspa/structures/cif/Zn-DOBDC.cif' 2021-07-29T15:41:08,687 adding 'RASPA2/share/raspa/structures/cif/ZnBDC.cif' 2021-07-29T15:41:08,688 adding 'RASPA2/share/raspa/structures/cif/ZnBDCdabco.cif' 2021-07-29T15:41:08,690 adding 'RASPA2/share/raspa/structures/cif/ZnHBDC.cif' 2021-07-29T15:41:08,691 adding 'RASPA2/share/raspa/structures/cif/ZnMOF-74-VASP.cif' 2021-07-29T15:41:08,692 adding 'RASPA2/share/raspa/structures/cif/ZnMOF-74.cif' 2021-07-29T15:41:08,696 adding 'RASPA2/share/raspa/structures/cif/Zr-TPDC.cif' 2021-07-29T15:41:08,697 adding 'RASPA2/share/raspa/structures/cif/alpha-quartz.cif' 2021-07-29T15:41:08,699 adding 'RASPA2/share/raspa/structures/cif/coesite.cif' 2021-07-29T15:41:08,704 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-10.25A.cif' 2021-07-29T15:41:08,710 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-10.65A.cif' 2021-07-29T15:41:08,716 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-11.0A.cif' 2021-07-29T15:41:08,721 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-11.36A.cif' 2021-07-29T15:41:08,727 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-12.0A.cif' 2021-07-29T15:41:08,733 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-12.78A.cif' 2021-07-29T15:41:08,738 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-13.25A.cif' 2021-07-29T15:41:08,744 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-13.75A.cif' 2021-07-29T15:41:08,749 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-14.2A.cif' 2021-07-29T15:41:08,755 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-15.0A.cif' 2021-07-29T15:41:08,760 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-15.62A.cif' 2021-07-29T15:41:08,769 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-17.04A.cif' 2021-07-29T15:41:08,780 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-18.46A.cif' 2021-07-29T15:41:08,792 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-19.88A.cif' 2021-07-29T15:41:08,798 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-8.52A.cif' 2021-07-29T15:41:08,803 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-9.0A.cif' 2021-07-29T15:41:08,809 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-9.5A.cif' 2021-07-29T15:41:08,813 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-9.94A.cif' 2021-07-29T15:41:08,826 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-11.36A.cif' 2021-07-29T15:41:08,841 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-12.78A.cif' 2021-07-29T15:41:08,855 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-14.2A.cif' 2021-07-29T15:41:08,874 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-15.62A.cif' 2021-07-29T15:41:08,892 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-17.04A.cif' 2021-07-29T15:41:08,914 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-18.46A.cif' 2021-07-29T15:41:08,937 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-19.88A.cif' 2021-07-29T15:41:08,948 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-8.52A.cif' 2021-07-29T15:41:08,960 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-9.94A.cif' 2021-07-29T15:41:08,962 adding 'RASPA2/share/raspa/structures/cif/graphite.cif' 2021-07-29T15:41:08,963 adding 'RASPA2/share/raspa/structures/cif/graphite_ortho.cif' 2021-07-29T15:41:08,965 adding 'RASPA2/share/raspa/structures/cif/quartz.cif' 2021-07-29T15:41:08,966 adding 'RASPA2/share/raspa/structures/ions/IRMOF-1-Ar.ions' 2021-07-29T15:41:11,888 adding 'RASPA2/simulations/lib/libraspa2.cpython-39-arm-linux-gnueabihf.so' 2021-07-29T15:41:12,061 adding 'RASPA2-2.0.4.dist-info/METADATA' 2021-07-29T15:41:12,062 adding 'RASPA2-2.0.4.dist-info/WHEEL' 2021-07-29T15:41:12,063 adding 'RASPA2-2.0.4.dist-info/entry_points.txt' 2021-07-29T15:41:12,064 adding 'RASPA2-2.0.4.dist-info/top_level.txt' 2021-07-29T15:41:12,071 adding 'RASPA2-2.0.4.dist-info/RECORD' 2021-07-29T15:41:12,184 removing build/bdist.linux-armv7l/wheel 2021-07-29T15:41:12,509 Building wheel for raspa2 (setup.py): finished with status 'done' 2021-07-29T15:41:12,597 Created wheel for raspa2: filename=RASPA2-2.0.4-cp39-cp39-linux_armv7l.whl size=6964565 sha256=29c51dee509800d0af7ecfa22f50d5bc89c31983e3fa7479206ec0b8c71b3fd0 2021-07-29T15:41:12,598 Stored in directory: /tmp/pip-ephem-wheel-cache-76_lj2b9/wheels/97/9b/3a/ddeaaf609227d4d0047097db1e8248ef19e7a3bc8b0fb2a787 2021-07-29T15:41:12,624 Successfully built raspa2 2021-07-29T15:41:12,871 Removed build tracker: '/tmp/pip-req-tracker-ij6vrwqn'