2023-05-12T12:48:41,774 Created temporary directory: /tmp/pip-build-tracker-6equt8in 2023-05-12T12:48:41,777 Initialized build tracking at /tmp/pip-build-tracker-6equt8in 2023-05-12T12:48:41,778 Created build tracker: /tmp/pip-build-tracker-6equt8in 2023-05-12T12:48:41,778 Entered build tracker: /tmp/pip-build-tracker-6equt8in 2023-05-12T12:48:41,780 Created temporary directory: /tmp/pip-wheel-vh6drk5i 2023-05-12T12:48:41,788 Created temporary directory: /tmp/pip-ephem-wheel-cache-s_oysgts 2023-05-12T12:48:41,839 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2023-05-12T12:48:41,847 2 location(s) to search for versions of openduck: 2023-05-12T12:48:41,847 * https://pypi.org/simple/openduck/ 2023-05-12T12:48:41,847 * https://www.piwheels.org/simple/openduck/ 2023-05-12T12:48:41,849 Fetching project page and analyzing links: https://pypi.org/simple/openduck/ 2023-05-12T12:48:41,850 Getting page https://pypi.org/simple/openduck/ 2023-05-12T12:48:41,853 Found index url https://pypi.org/simple/ 2023-05-12T12:48:42,075 Fetched page https://pypi.org/simple/openduck/ as application/vnd.pypi.simple.v1+json 2023-05-12T12:48:42,078 Skipping link: No binaries permitted for openduck: https://files.pythonhosted.org/packages/53/ea/7a5934879e734e8d233fd50a08d0412504619e9c0c951e13354c00a2e84c/openduck-0.2.0.dev0-py3-none-any.whl (from https://pypi.org/simple/openduck/) 2023-05-12T12:48:42,079 Found link https://files.pythonhosted.org/packages/3d/b1/b1659d2131cbf3b20f3ac6f7c47a9ee8a807ddb293ba919ae18b501dc4c1/openduck-0.2.0.dev0.tar.gz (from https://pypi.org/simple/openduck/), version: 0.2.0.dev0 2023-05-12T12:48:42,080 Fetching project page and analyzing links: https://www.piwheels.org/simple/openduck/ 2023-05-12T12:48:42,080 Getting page https://www.piwheels.org/simple/openduck/ 2023-05-12T12:48:42,082 Found index url https://www.piwheels.org/simple/ 2023-05-12T12:48:42,312 Fetched page https://www.piwheels.org/simple/openduck/ as text/html 2023-05-12T12:48:42,315 Skipping link: No binaries permitted for openduck: https://www.piwheels.org/simple/openduck/openduck-0.2.0.dev0-py3-none-any.whl#sha256=26f70d59b7951b85a2e1989dee2d474d324aeee9dfb5e27959f38251a844ccbf (from https://www.piwheels.org/simple/openduck/) 2023-05-12T12:48:42,315 Skipping link: not a file: https://www.piwheels.org/simple/openduck/ 2023-05-12T12:48:42,316 Skipping link: not a file: https://pypi.org/simple/openduck/ 2023-05-12T12:48:42,345 Given no hashes to check 1 links for project 'openduck': discarding no candidates 2023-05-12T12:48:42,372 Collecting openduck==0.2.0.dev0 2023-05-12T12:48:42,377 Created temporary directory: /tmp/pip-unpack-uqixeh42 2023-05-12T12:48:42,573 Downloading openduck-0.2.0.dev0.tar.gz (62 kB) 2023-05-12T12:48:42,896 Added openduck==0.2.0.dev0 from https://files.pythonhosted.org/packages/3d/b1/b1659d2131cbf3b20f3ac6f7c47a9ee8a807ddb293ba919ae18b501dc4c1/openduck-0.2.0.dev0.tar.gz to build tracker '/tmp/pip-build-tracker-6equt8in' 2023-05-12T12:48:42,900 Running setup.py (path:/tmp/pip-wheel-vh6drk5i/openduck_8c319bd95c0c484895602f21c48ad762/setup.py) egg_info for package openduck 2023-05-12T12:48:42,901 Created temporary directory: /tmp/pip-pip-egg-info-i0fkib4_ 2023-05-12T12:48:42,902 Preparing metadata (setup.py): started 2023-05-12T12:48:42,904 Running command python setup.py egg_info 2023-05-12T12:48:44,394 ['duck', 'scripts', 'duck.steps', 'duck.utils'] 2023-05-12T12:48:44,396 running egg_info 2023-05-12T12:48:44,397 creating /tmp/pip-pip-egg-info-i0fkib4_/openduck.egg-info 2023-05-12T12:48:44,456 writing /tmp/pip-pip-egg-info-i0fkib4_/openduck.egg-info/PKG-INFO 2023-05-12T12:48:44,460 writing dependency_links to /tmp/pip-pip-egg-info-i0fkib4_/openduck.egg-info/dependency_links.txt 2023-05-12T12:48:44,463 writing entry points to /tmp/pip-pip-egg-info-i0fkib4_/openduck.egg-info/entry_points.txt 2023-05-12T12:48:44,466 writing requirements to /tmp/pip-pip-egg-info-i0fkib4_/openduck.egg-info/requires.txt 2023-05-12T12:48:44,469 writing top-level names to /tmp/pip-pip-egg-info-i0fkib4_/openduck.egg-info/top_level.txt 2023-05-12T12:48:44,471 writing manifest file '/tmp/pip-pip-egg-info-i0fkib4_/openduck.egg-info/SOURCES.txt' 2023-05-12T12:48:44,670 reading manifest file '/tmp/pip-pip-egg-info-i0fkib4_/openduck.egg-info/SOURCES.txt' 2023-05-12T12:48:44,673 adding license file 'LICENSE' 2023-05-12T12:48:44,682 writing manifest file '/tmp/pip-pip-egg-info-i0fkib4_/openduck.egg-info/SOURCES.txt' 2023-05-12T12:48:44,802 Preparing metadata (setup.py): finished with status 'done' 2023-05-12T12:48:44,816 Source in /tmp/pip-wheel-vh6drk5i/openduck_8c319bd95c0c484895602f21c48ad762 has version 0.2.0.dev0, which satisfies requirement openduck==0.2.0.dev0 from https://files.pythonhosted.org/packages/3d/b1/b1659d2131cbf3b20f3ac6f7c47a9ee8a807ddb293ba919ae18b501dc4c1/openduck-0.2.0.dev0.tar.gz 2023-05-12T12:48:44,817 Removed openduck==0.2.0.dev0 from https://files.pythonhosted.org/packages/3d/b1/b1659d2131cbf3b20f3ac6f7c47a9ee8a807ddb293ba919ae18b501dc4c1/openduck-0.2.0.dev0.tar.gz from build tracker '/tmp/pip-build-tracker-6equt8in' 2023-05-12T12:48:44,828 Created temporary directory: /tmp/pip-unpack-qutmp0mt 2023-05-12T12:48:44,829 Building wheels for collected packages: openduck 2023-05-12T12:48:44,838 Created temporary directory: /tmp/pip-wheel-3t3iokw2 2023-05-12T12:48:44,839 Building wheel for openduck (setup.py): started 2023-05-12T12:48:44,841 Destination directory: /tmp/pip-wheel-3t3iokw2 2023-05-12T12:48:44,841 Running command python setup.py bdist_wheel 2023-05-12T12:48:45,939 ['duck', 'scripts', 'duck.steps', 'duck.utils'] 2023-05-12T12:48:46,789 running bdist_wheel 2023-05-12T12:48:46,965 running build 2023-05-12T12:48:46,966 running build_py 2023-05-12T12:48:47,029 creating build 2023-05-12T12:48:47,030 creating build/lib 2023-05-12T12:48:47,032 creating build/lib/duck 2023-05-12T12:48:47,034 copying duck/__init__.py -> build/lib/duck 2023-05-12T12:48:47,039 creating build/lib/scripts 2023-05-12T12:48:47,041 copying scripts/openduck.py -> build/lib/scripts 2023-05-12T12:48:47,049 copying scripts/__init__.py -> build/lib/scripts 2023-05-12T12:48:47,052 copying scripts/duck_analysis_visualisation.py -> build/lib/scripts 2023-05-12T12:48:47,058 creating build/lib/duck/steps 2023-05-12T12:48:47,060 copying duck/steps/steered_md.py -> build/lib/duck/steps 2023-05-12T12:48:47,065 copying duck/steps/chunk.py -> build/lib/duck/steps 2023-05-12T12:48:47,070 copying duck/steps/parametrize.py -> build/lib/duck/steps 2023-05-12T12:48:47,074 copying duck/steps/__init__.py -> build/lib/duck/steps 2023-05-12T12:48:47,077 copying duck/steps/prepare_mmgbsa.py -> build/lib/duck/steps 2023-05-12T12:48:47,081 copying duck/steps/equlibrate.py -> build/lib/duck/steps 2023-05-12T12:48:47,085 copying duck/steps/prepare.py -> build/lib/duck/steps 2023-05-12T12:48:47,089 copying duck/steps/normal_md.py -> build/lib/duck/steps 2023-05-12T12:48:47,095 creating build/lib/duck/utils 2023-05-12T12:48:47,097 copying duck/utils/vmd_template.py -> build/lib/duck/utils 2023-05-12T12:48:47,101 copying duck/utils/amber_inputs.py -> build/lib/duck/utils 2023-05-12T12:48:47,106 copying duck/utils/get_from_fragalysis.py -> build/lib/duck/utils 2023-05-12T12:48:47,109 copying duck/utils/__init__.py -> build/lib/duck/utils 2023-05-12T12:48:47,112 copying duck/utils/duck_stuff.py -> build/lib/duck/utils 2023-05-12T12:48:47,116 copying duck/utils/analysis_and_report.py -> build/lib/duck/utils 2023-05-12T12:48:47,122 copying duck/utils/cal_ints.py -> build/lib/duck/utils 2023-05-12T12:48:47,126 copying duck/utils/gen_system.py -> build/lib/duck/utils 2023-05-12T12:48:47,130 copying duck/utils/check_system.py -> build/lib/duck/utils 2023-05-12T12:48:47,145 creating build/lib/duck/parameters 2023-05-12T12:48:47,147 copying duck/parameters/tip3p.offxml -> build/lib/duck/parameters 2023-05-12T12:48:47,152 copying duck/parameters/smirnoff99Frosst.offxml -> build/lib/duck/parameters 2023-05-12T12:48:47,158 creating build/lib/duck/parameters/waters 2023-05-12T12:48:47,160 copying duck/parameters/waters/tip3p.prmtop -> build/lib/duck/parameters/waters 2023-05-12T12:48:47,165 copying duck/parameters/waters/spce.prmtop -> build/lib/duck/parameters/waters 2023-05-12T12:48:47,170 copying duck/parameters/waters/tip4pew.prmtop -> build/lib/duck/parameters/waters 2023-05-12T12:48:47,174 copying duck/parameters/waters/water.pdb -> build/lib/duck/parameters/waters 2023-05-12T12:48:47,179 copying duck/parameters/waters/tip3p.inpcrd -> build/lib/duck/parameters/waters 2023-05-12T12:48:47,183 copying duck/parameters/waters/spce.inpcrd -> build/lib/duck/parameters/waters 2023-05-12T12:48:47,186 copying duck/parameters/waters/tip4pew.inpcrd -> build/lib/duck/parameters/waters 2023-05-12T12:48:47,190 creating build/lib/duck/parameters/tleap 2023-05-12T12:48:47,192 copying duck/parameters/tleap/leaprc.protein.ff14SB -> build/lib/duck/parameters/tleap 2023-05-12T12:48:47,196 copying duck/parameters/tleap/leaprc.ff14SB.redq -> build/lib/duck/parameters/tleap 2023-05-12T12:48:47,201 creating build/lib/duck/templates 2023-05-12T12:48:47,202 creating build/lib/duck/templates/amber_inputs 2023-05-12T12:48:47,204 copying duck/templates/amber_inputs/md.in -> build/lib/duck/templates/amber_inputs 2023-05-12T12:48:47,208 copying duck/templates/amber_inputs/dist_duck.rst -> build/lib/duck/templates/amber_inputs 2023-05-12T12:48:47,212 copying duck/templates/amber_inputs/heating.in -> build/lib/duck/templates/amber_inputs 2023-05-12T12:48:47,217 copying duck/templates/amber_inputs/min.in -> build/lib/duck/templates/amber_inputs 2023-05-12T12:48:47,221 copying duck/templates/amber_inputs/equilibration.in -> build/lib/duck/templates/amber_inputs 2023-05-12T12:48:47,225 copying duck/templates/amber_inputs/first_heating.in -> build/lib/duck/templates/amber_inputs 2023-05-12T12:48:47,229 copying duck/templates/amber_inputs/dist_md.rst -> build/lib/duck/templates/amber_inputs 2023-05-12T12:48:47,233 copying duck/templates/amber_inputs/smd.in -> build/lib/duck/templates/amber_inputs 2023-05-12T12:48:47,237 creating build/lib/duck/templates/queueing_templates 2023-05-12T12:48:47,239 copying duck/templates/queueing_templates/commands.txt -> build/lib/duck/templates/queueing_templates 2023-05-12T12:48:47,244 copying duck/templates/queueing_templates/local.q -> build/lib/duck/templates/queueing_templates 2023-05-12T12:48:47,248 copying duck/templates/queueing_templates/functions.txt -> build/lib/duck/templates/queueing_templates 2023-05-12T12:48:47,252 copying duck/templates/queueing_templates/getWqbValues.py -> build/lib/duck/templates/queueing_templates 2023-05-12T12:48:47,256 copying duck/templates/queueing_templates/SGE_array.q -> build/lib/duck/templates/queueing_templates 2023-05-12T12:48:47,260 copying duck/templates/queueing_templates/Slurm.q -> build/lib/duck/templates/queueing_templates 2023-05-12T12:48:47,264 copying duck/templates/queueing_templates/SGE.q -> build/lib/duck/templates/queueing_templates 2023-05-12T12:48:47,268 copying duck/templates/queueing_templates/Slurm_array.q -> build/lib/duck/templates/queueing_templates 2023-05-12T12:48:47,346 /usr/local/lib/python3.7/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2023-05-12T12:48:47,346 !! 2023-05-12T12:48:47,347 ******************************************************************************** 2023-05-12T12:48:47,347 Please avoid running ``setup.py`` directly. 2023-05-12T12:48:47,348 Instead, use pypa/build, pypa/installer, pypa/build or 2023-05-12T12:48:47,348 other standards-based tools. 2023-05-12T12:48:47,349 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2023-05-12T12:48:47,349 ******************************************************************************** 2023-05-12T12:48:47,350 !! 2023-05-12T12:48:47,350 self.initialize_options() 2023-05-12T12:48:47,407 installing to build/bdist.linux-armv7l/wheel 2023-05-12T12:48:47,407 running install 2023-05-12T12:48:47,466 running install_lib 2023-05-12T12:48:47,529 creating build/bdist.linux-armv7l 2023-05-12T12:48:47,530 creating build/bdist.linux-armv7l/wheel 2023-05-12T12:48:47,534 creating build/bdist.linux-armv7l/wheel/duck 2023-05-12T12:48:47,538 creating build/bdist.linux-armv7l/wheel/duck/templates 2023-05-12T12:48:47,541 creating build/bdist.linux-armv7l/wheel/duck/templates/queueing_templates 2023-05-12T12:48:47,543 copying build/lib/duck/templates/queueing_templates/commands.txt -> build/bdist.linux-armv7l/wheel/duck/templates/queueing_templates 2023-05-12T12:48:47,548 copying build/lib/duck/templates/queueing_templates/local.q -> build/bdist.linux-armv7l/wheel/duck/templates/queueing_templates 2023-05-12T12:48:47,552 copying build/lib/duck/templates/queueing_templates/functions.txt -> build/bdist.linux-armv7l/wheel/duck/templates/queueing_templates 2023-05-12T12:48:47,556 copying build/lib/duck/templates/queueing_templates/getWqbValues.py -> build/bdist.linux-armv7l/wheel/duck/templates/queueing_templates 2023-05-12T12:48:47,560 copying build/lib/duck/templates/queueing_templates/SGE_array.q -> build/bdist.linux-armv7l/wheel/duck/templates/queueing_templates 2023-05-12T12:48:47,564 copying build/lib/duck/templates/queueing_templates/Slurm.q -> build/bdist.linux-armv7l/wheel/duck/templates/queueing_templates 2023-05-12T12:48:47,568 copying build/lib/duck/templates/queueing_templates/SGE.q -> build/bdist.linux-armv7l/wheel/duck/templates/queueing_templates 2023-05-12T12:48:47,572 copying build/lib/duck/templates/queueing_templates/Slurm_array.q -> build/bdist.linux-armv7l/wheel/duck/templates/queueing_templates 2023-05-12T12:48:47,577 creating build/bdist.linux-armv7l/wheel/duck/templates/amber_inputs 2023-05-12T12:48:47,579 copying build/lib/duck/templates/amber_inputs/md.in -> build/bdist.linux-armv7l/wheel/duck/templates/amber_inputs 2023-05-12T12:48:47,583 copying build/lib/duck/templates/amber_inputs/dist_duck.rst -> build/bdist.linux-armv7l/wheel/duck/templates/amber_inputs 2023-05-12T12:48:47,587 copying build/lib/duck/templates/amber_inputs/heating.in -> build/bdist.linux-armv7l/wheel/duck/templates/amber_inputs 2023-05-12T12:48:47,591 copying build/lib/duck/templates/amber_inputs/min.in -> build/bdist.linux-armv7l/wheel/duck/templates/amber_inputs 2023-05-12T12:48:47,595 copying build/lib/duck/templates/amber_inputs/equilibration.in -> build/bdist.linux-armv7l/wheel/duck/templates/amber_inputs 2023-05-12T12:48:47,599 copying build/lib/duck/templates/amber_inputs/first_heating.in -> build/bdist.linux-armv7l/wheel/duck/templates/amber_inputs 2023-05-12T12:48:47,603 copying build/lib/duck/templates/amber_inputs/dist_md.rst -> build/bdist.linux-armv7l/wheel/duck/templates/amber_inputs 2023-05-12T12:48:47,606 copying build/lib/duck/templates/amber_inputs/smd.in -> build/bdist.linux-armv7l/wheel/duck/templates/amber_inputs 2023-05-12T12:48:47,611 creating build/bdist.linux-armv7l/wheel/duck/steps 2023-05-12T12:48:47,613 copying build/lib/duck/steps/steered_md.py -> build/bdist.linux-armv7l/wheel/duck/steps 2023-05-12T12:48:47,618 copying build/lib/duck/steps/chunk.py -> build/bdist.linux-armv7l/wheel/duck/steps 2023-05-12T12:48:47,622 copying build/lib/duck/steps/parametrize.py -> build/bdist.linux-armv7l/wheel/duck/steps 2023-05-12T12:48:47,627 copying build/lib/duck/steps/__init__.py -> build/bdist.linux-armv7l/wheel/duck/steps 2023-05-12T12:48:47,630 copying build/lib/duck/steps/prepare_mmgbsa.py -> build/bdist.linux-armv7l/wheel/duck/steps 2023-05-12T12:48:47,633 copying build/lib/duck/steps/equlibrate.py -> build/bdist.linux-armv7l/wheel/duck/steps 2023-05-12T12:48:47,638 copying build/lib/duck/steps/prepare.py -> build/bdist.linux-armv7l/wheel/duck/steps 2023-05-12T12:48:47,641 copying build/lib/duck/steps/normal_md.py -> build/bdist.linux-armv7l/wheel/duck/steps 2023-05-12T12:48:47,647 creating build/bdist.linux-armv7l/wheel/duck/parameters 2023-05-12T12:48:47,650 creating build/bdist.linux-armv7l/wheel/duck/parameters/tleap 2023-05-12T12:48:47,652 copying build/lib/duck/parameters/tleap/leaprc.protein.ff14SB -> build/bdist.linux-armv7l/wheel/duck/parameters/tleap 2023-05-12T12:48:47,656 copying build/lib/duck/parameters/tleap/leaprc.ff14SB.redq -> build/bdist.linux-armv7l/wheel/duck/parameters/tleap 2023-05-12T12:48:47,660 copying build/lib/duck/parameters/tip3p.offxml -> build/bdist.linux-armv7l/wheel/duck/parameters 2023-05-12T12:48:47,664 creating build/bdist.linux-armv7l/wheel/duck/parameters/waters 2023-05-12T12:48:47,666 copying build/lib/duck/parameters/waters/tip3p.prmtop -> build/bdist.linux-armv7l/wheel/duck/parameters/waters 2023-05-12T12:48:47,671 copying build/lib/duck/parameters/waters/spce.prmtop -> build/bdist.linux-armv7l/wheel/duck/parameters/waters 2023-05-12T12:48:47,675 copying build/lib/duck/parameters/waters/tip4pew.prmtop -> build/bdist.linux-armv7l/wheel/duck/parameters/waters 2023-05-12T12:48:47,679 copying build/lib/duck/parameters/waters/water.pdb -> build/bdist.linux-armv7l/wheel/duck/parameters/waters 2023-05-12T12:48:47,683 copying build/lib/duck/parameters/waters/tip3p.inpcrd -> build/bdist.linux-armv7l/wheel/duck/parameters/waters 2023-05-12T12:48:47,686 copying build/lib/duck/parameters/waters/spce.inpcrd -> build/bdist.linux-armv7l/wheel/duck/parameters/waters 2023-05-12T12:48:47,689 copying build/lib/duck/parameters/waters/tip4pew.inpcrd -> build/bdist.linux-armv7l/wheel/duck/parameters/waters 2023-05-12T12:48:47,693 copying build/lib/duck/parameters/smirnoff99Frosst.offxml -> build/bdist.linux-armv7l/wheel/duck/parameters 2023-05-12T12:48:47,699 copying build/lib/duck/__init__.py -> build/bdist.linux-armv7l/wheel/duck 2023-05-12T12:48:47,704 creating build/bdist.linux-armv7l/wheel/duck/utils 2023-05-12T12:48:47,706 copying build/lib/duck/utils/vmd_template.py -> build/bdist.linux-armv7l/wheel/duck/utils 2023-05-12T12:48:47,712 copying build/lib/duck/utils/amber_inputs.py -> build/bdist.linux-armv7l/wheel/duck/utils 2023-05-12T12:48:47,717 copying build/lib/duck/utils/get_from_fragalysis.py -> build/bdist.linux-armv7l/wheel/duck/utils 2023-05-12T12:48:47,721 copying build/lib/duck/utils/__init__.py -> build/bdist.linux-armv7l/wheel/duck/utils 2023-05-12T12:48:47,724 copying build/lib/duck/utils/duck_stuff.py -> build/bdist.linux-armv7l/wheel/duck/utils 2023-05-12T12:48:47,728 copying build/lib/duck/utils/analysis_and_report.py -> build/bdist.linux-armv7l/wheel/duck/utils 2023-05-12T12:48:47,733 copying build/lib/duck/utils/cal_ints.py -> build/bdist.linux-armv7l/wheel/duck/utils 2023-05-12T12:48:47,737 copying build/lib/duck/utils/gen_system.py -> build/bdist.linux-armv7l/wheel/duck/utils 2023-05-12T12:48:47,742 copying build/lib/duck/utils/check_system.py -> build/bdist.linux-armv7l/wheel/duck/utils 2023-05-12T12:48:47,746 creating build/bdist.linux-armv7l/wheel/scripts 2023-05-12T12:48:47,748 copying build/lib/scripts/openduck.py -> build/bdist.linux-armv7l/wheel/scripts 2023-05-12T12:48:47,755 copying build/lib/scripts/__init__.py -> build/bdist.linux-armv7l/wheel/scripts 2023-05-12T12:48:47,758 copying build/lib/scripts/duck_analysis_visualisation.py -> build/bdist.linux-armv7l/wheel/scripts 2023-05-12T12:48:47,763 running install_egg_info 2023-05-12T12:48:47,913 running egg_info 2023-05-12T12:48:47,969 writing openduck.egg-info/PKG-INFO 2023-05-12T12:48:47,973 writing dependency_links to openduck.egg-info/dependency_links.txt 2023-05-12T12:48:47,978 writing entry points to openduck.egg-info/entry_points.txt 2023-05-12T12:48:47,981 writing requirements to openduck.egg-info/requires.txt 2023-05-12T12:48:47,984 writing top-level names to openduck.egg-info/top_level.txt 2023-05-12T12:48:48,062 reading manifest file 'openduck.egg-info/SOURCES.txt' 2023-05-12T12:48:48,070 adding license file 'LICENSE' 2023-05-12T12:48:48,081 writing manifest file 'openduck.egg-info/SOURCES.txt' 2023-05-12T12:48:48,084 Copying openduck.egg-info to build/bdist.linux-armv7l/wheel/openduck-0.2.0.dev0-py3.7.egg-info 2023-05-12T12:48:48,108 running install_scripts 2023-05-12T12:48:48,145 adding license file "LICENSE" (matched pattern "LICEN[CS]E*") 2023-05-12T12:48:48,155 creating build/bdist.linux-armv7l/wheel/openduck-0.2.0.dev0.dist-info/WHEEL 2023-05-12T12:48:48,160 creating '/tmp/pip-wheel-3t3iokw2/openduck-0.2.0.dev0-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2023-05-12T12:48:48,166 adding 'duck/__init__.py' 2023-05-12T12:48:48,177 adding 'duck/parameters/smirnoff99Frosst.offxml' 2023-05-12T12:48:48,182 adding 'duck/parameters/tip3p.offxml' 2023-05-12T12:48:48,187 adding 'duck/parameters/tleap/leaprc.ff14SB.redq' 2023-05-12T12:48:48,191 adding 'duck/parameters/tleap/leaprc.protein.ff14SB' 2023-05-12T12:48:48,195 adding 'duck/parameters/waters/spce.inpcrd' 2023-05-12T12:48:48,199 adding 'duck/parameters/waters/spce.prmtop' 2023-05-12T12:48:48,203 adding 'duck/parameters/waters/tip3p.inpcrd' 2023-05-12T12:48:48,206 adding 'duck/parameters/waters/tip3p.prmtop' 2023-05-12T12:48:48,210 adding 'duck/parameters/waters/tip4pew.inpcrd' 2023-05-12T12:48:48,213 adding 'duck/parameters/waters/tip4pew.prmtop' 2023-05-12T12:48:48,217 adding 'duck/parameters/waters/water.pdb' 2023-05-12T12:48:48,221 adding 'duck/steps/__init__.py' 2023-05-12T12:48:48,227 adding 'duck/steps/chunk.py' 2023-05-12T12:48:48,232 adding 'duck/steps/equlibrate.py' 2023-05-12T12:48:48,236 adding 'duck/steps/normal_md.py' 2023-05-12T12:48:48,241 adding 'duck/steps/parametrize.py' 2023-05-12T12:48:48,244 adding 'duck/steps/prepare.py' 2023-05-12T12:48:48,247 adding 'duck/steps/prepare_mmgbsa.py' 2023-05-12T12:48:48,252 adding 'duck/steps/steered_md.py' 2023-05-12T12:48:48,257 adding 'duck/templates/amber_inputs/dist_duck.rst' 2023-05-12T12:48:48,261 adding 'duck/templates/amber_inputs/dist_md.rst' 2023-05-12T12:48:48,264 adding 'duck/templates/amber_inputs/equilibration.in' 2023-05-12T12:48:48,267 adding 'duck/templates/amber_inputs/first_heating.in' 2023-05-12T12:48:48,270 adding 'duck/templates/amber_inputs/heating.in' 2023-05-12T12:48:48,273 adding 'duck/templates/amber_inputs/md.in' 2023-05-12T12:48:48,276 adding 'duck/templates/amber_inputs/min.in' 2023-05-12T12:48:48,299 adding 'duck/templates/amber_inputs/smd.in' 2023-05-12T12:48:48,304 adding 'duck/templates/queueing_templates/SGE.q' 2023-05-12T12:48:48,307 adding 'duck/templates/queueing_templates/SGE_array.q' 2023-05-12T12:48:48,310 adding 'duck/templates/queueing_templates/Slurm.q' 2023-05-12T12:48:48,313 adding 'duck/templates/queueing_templates/Slurm_array.q' 2023-05-12T12:48:48,317 adding 'duck/templates/queueing_templates/commands.txt' 2023-05-12T12:48:48,320 adding 'duck/templates/queueing_templates/functions.txt' 2023-05-12T12:48:48,324 adding 'duck/templates/queueing_templates/getWqbValues.py' 2023-05-12T12:48:48,327 adding 'duck/templates/queueing_templates/local.q' 2023-05-12T12:48:48,331 adding 'duck/utils/__init__.py' 2023-05-12T12:48:48,336 adding 'duck/utils/amber_inputs.py' 2023-05-12T12:48:48,345 adding 'duck/utils/analysis_and_report.py' 2023-05-12T12:48:48,349 adding 'duck/utils/cal_ints.py' 2023-05-12T12:48:48,353 adding 'duck/utils/check_system.py' 2023-05-12T12:48:48,357 adding 'duck/utils/duck_stuff.py' 2023-05-12T12:48:48,360 adding 'duck/utils/gen_system.py' 2023-05-12T12:48:48,364 adding 'duck/utils/get_from_fragalysis.py' 2023-05-12T12:48:48,368 adding 'duck/utils/vmd_template.py' 2023-05-12T12:48:48,374 adding 'scripts/__init__.py' 2023-05-12T12:48:48,379 adding 'scripts/duck_analysis_visualisation.py' 2023-05-12T12:48:48,393 adding 'scripts/openduck.py' 2023-05-12T12:48:48,398 adding 'openduck-0.2.0.dev0.dist-info/LICENSE' 2023-05-12T12:48:48,401 adding 'openduck-0.2.0.dev0.dist-info/METADATA' 2023-05-12T12:48:48,403 adding 'openduck-0.2.0.dev0.dist-info/WHEEL' 2023-05-12T12:48:48,405 adding 'openduck-0.2.0.dev0.dist-info/entry_points.txt' 2023-05-12T12:48:48,406 adding 'openduck-0.2.0.dev0.dist-info/top_level.txt' 2023-05-12T12:48:48,409 adding 'openduck-0.2.0.dev0.dist-info/RECORD' 2023-05-12T12:48:48,415 removing build/bdist.linux-armv7l/wheel 2023-05-12T12:48:48,599 Building wheel for openduck (setup.py): finished with status 'done' 2023-05-12T12:48:48,608 Created wheel for openduck: filename=openduck-0.2.0.dev0-py3-none-any.whl size=77595 sha256=75d47d83000805b42bf4994deb4e5c82b29a479089cad773b7fb9dfcd3c04e0a 2023-05-12T12:48:48,611 Stored in directory: /tmp/pip-ephem-wheel-cache-s_oysgts/wheels/75/ed/23/694cc5e380b2aaf8f6aabf32c9422120e20cd7788e284ab5ed 2023-05-12T12:48:48,641 Successfully built openduck 2023-05-12T12:48:48,653 Removed build tracker: '/tmp/pip-build-tracker-6equt8in'