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setup.py
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setup.py
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import setuptools
from os import path
import sirms
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="sirms",
version=sirms.__version__,
author="Pavel Polishchuk",
author_email="[email protected]",
description="SiRMS: simplex representation of molecular structure",
long_description=long_description,
long_description_content_type="text/markdown",
url="https://github.com/DrrDom/sirms",
packages=setuptools.find_packages(),
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':
['sirms = sirms.sirms:main',
'calc_atomic_properties_chemaxon = sirms.utilities.calc_atomic_properties_chemaxon:main']}
)