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setup.py
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setup.py
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from setuptools import setup, find_packages
setup(
name="phd3",
version="1.1.0",
author=["Matthew R. Hennefarth", "David J. Reilley"],
package_data={'': ['*.json', '*.j2', '*.config']},
packages=find_packages(),
install_requires=[ 'jinja2', 'sklearn', 'propka>=3.4.0', 'numpy>=1.20.0', 'hdbscan', 'scipy>=1.1.0'],
entry_points = {
'console_scripts' : [
'setupphd.py=phd3.bin.setupphd:main',
'runphd.py=phd3.bin.runphd:main',
'submitphd.py=phd3.bin.submitphd:main',
'submitdmd.py=phd3.bin.submitdmd:main',
'setupturbomole.py=phd3.bin.setupturbomole:main',
'runturbomole.py=phd3.bin.runturbomole:main',
'submitturbomole.py=phd3.bin.submitturbomole:main',
'tfe.py=phd3.bin.tfe:main',
'relabelpdb.py=phd3.bin.relabelpdb:main',
'setupdmd.py=phd3.bin.setupdmd:main',
'rundmd.py=phd3.bin.rundmd:main',
'm2p=phd3.bin.movietopdb:main',
's2x=phd3.bin.scan:scan_2_xyz',
'cutqm.py=phd3.bin.cutqm:main'
]
},
)