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setup.py
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setup.py
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#!/usr/bin/env python
import os
import sys
try:
from setuptools import setup
except ImportError:
from distutils.core import setup
with open('requirements.txt', 'r') as f:
requirements = f.read().splitlines()
SUB_MODULES=[
'enzy_htp',
'enzy_htp._config',
'enzy_htp._interface',
'enzy_htp._interface.handle_types',
'enzy_htp.core',
'enzy_htp.core.clusters',
'enzy_htp.chemical',
'enzy_htp.structure',
'enzy_htp.structure.structure_io',
'enzy_htp.structure.structure_operation',
'enzy_htp.structure.structure_enchantment',
'enzy_htp.structure.structure_region',
'enzy_htp.structure.structure_selection',
'enzy_htp.structure.structure_selection_class',
'enzy_htp.structure.structure_constraint',
'enzy_htp.structure.structure_translator',
'enzy_htp.quantum',
'enzy_htp.electronic_structure',
'enzy_htp.preparation',
'enzy_htp.mutation',
'enzy_htp.mutation.mutation_pattern',
'enzy_htp.mutation_class',
'enzy_htp.geometry',
'enzy_htp.analysis',
]
if __name__ == '__main__':
setup(
name='enzy_htp',
version='2.0.0',
description='EnzyHTP automates the complete life-cycle of enzyme modeling',
author='EnzyHTP Authors',
author_email='[email protected]',
include_package_data=True,
packages=SUB_MODULES,
install_requires=requirements,
)