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setup.py
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setup.py
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import setuptools
from os import path
import easydock
this_directory = path.abspath(path.dirname(__file__))
with open(path.join(this_directory, 'README.md'), encoding='utf-8') as f:
long_description = f.read()
setuptools.setup(
name="easydock",
version=easydock.__version__,
author="Pavel Polishchuk, Guzel Minibaeva, Aleksandra Ivanova",
author_email="[email protected]",
description="EasyDock Python module to facilitate molecular docking",
long_description=long_description,
long_description_content_type="text/markdown",
url="https://github.com/ci-lab-cz/easydock",
packages=['easydock'],
classifiers=[
"Programming Language :: Python :: 3",
"Operating System :: OS Independent",
"Topic :: Scientific/Engineering :: Bio-Informatics",
"Topic :: Scientific/Engineering :: Chemistry"
],
python_requires='>=3.6',
extras_require={
'rdkit': ['rdkit>=2017.09'],
},
entry_points={'console_scripts':
['run_dock = easydock.run_dock:main',
'get_sdf_from_dock_db = easydock.get_sdf_from_dock_db:main']}
)