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setup.py
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import setuptools
from os import path
import cremdock
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="cremdock",
version=cremdock.__version__,
author="Guzel Minibaeva, Pavel Polishchuk",
author_email="pavel_polishchuk@ukr.net",
description="CReM-dock: molecule generation and decoration guided by molecular docking",
long_description=long_description,
long_description_content_type="text/markdown",
url="https://github.com/DrrDom/cremdock",
packages=setuptools.find_packages(),
classifiers=[
"Programming Language :: Python :: 3",
"License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
"Operating System :: POSIX :: Linux",
"Topic :: Scientific/Engineering :: Bio-Informatics",
"Topic :: Scientific/Engineering :: Chemistry"
],
python_requires='>=3.9',
extras_require={
'rdkit': ['rdkit>=2017.09'],
'crem': ['crem>=0.2.7'],
'easydock': ['easydock>=0.3.1'],
},
entry_points={'console_scripts':
['cremdock = cremdock.cremdock:entry_point',
'cremdock_plif = cremdock.scripts.plif:entry_point']},
scripts=[]
)