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setup.py
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setup.py
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import setuptools
from os import path
import crem
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="crem",
version=crem.__version__,
author="Pavel Polishchuk",
author_email="pavel_polishchuk@ukr.net",
description="CReM: chemically reasonable mutations framework",
long_description=long_description,
long_description_content_type="text/markdown",
url="https://github.com/DrrDom/crem",
packages=['crem'],
classifiers=[
"Programming Language :: Python :: 3",
"License :: OSI Approved :: BSD License",
"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':
['fragmentation = crem.fragmentation:entry_point',
'frag_to_env = crem.frag_to_env_mp:entry_point',
'env_to_db = crem.import_env_to_db:entry_point',
'guacamol_test = crem.guacamol_crem_test:entry_point',
'crem_add_prop = crem.scripts.crem_add_prop:entry_point']},
scripts=['crem/scripts/crem_create_frag_db.sh']
)