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setup.py
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setup.py
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from setuptools import setup
import io
# read the contents of your README file
from os import path
this_directory = path.abspath(path.dirname(__file__))
with io.open(path.join(this_directory, 'README.md'), encoding='utf-8') as f:
long_description = f.read()
setup(
name='dbstep',
packages=['dbstep'],
version='1.1.0',
description='DFT Based Steric Parameters',
long_description=long_description,
long_description_content_type='text/markdown',
author='Guilian Luchini, Toby Patterson, Robert Paton',
author_email='patonlab@colostate.edu',
url = 'https://github.com/bobbypaton/DBSTEP',
download_url = 'https://github.com/patonlab/DBSTEP/archive/refs/tags/1.1.0.zip',
keywords=['compchem', 'steric', 'sterimol', 'informatics'],
license="MIT",
classifiers=['License :: OSI Approved :: MIT License',],
install_requires=["numpy",'numba','scipy','cclib'],
python_requires='>=3.6',
include_package_data=True,
package_data={'': ['*.csv']},
)