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setup.py
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setup.py
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#!/usr/bin/env python
# -*- coding: utf-8 -*-
"""Setup file for the chemcoord package.
"""
from setuptools import setup, find_packages
import version
MAIN_PACKAGE = 'chemcoord'
DESCRIPTION = "Python module for dealing with chemical coordinates."
LICENSE = 'LGPLv3'
AUTHOR = 'Oskar Weser'
EMAIL = 'oskar.weser@gmail.com'
URL = 'https://github.com/mcocdawc/chemcoord'
INSTALL_REQUIRES = ['numpy>=1.17,<1.20', 'scipy', 'pandas>=1.0', 'numba>=0.35',
'sortedcontainers', 'sympy', 'six', 'pymatgen']
KEYWORDS = ['chemcoord', 'transformation', 'cartesian', 'internal',
'chemistry', 'zmatrix', 'xyz', 'zmat', 'coordinates',
'coordinate system']
CLASSIFIERS = [
'Development Status :: 5 - Production/Stable',
'Environment :: Console',
'Intended Audience :: Science/Research',
'License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)',
'Operating System :: Unix',
'Operating System :: POSIX',
'Operating System :: Microsoft :: Windows',
'Natural Language :: English',
'Programming Language :: Python',
'Programming Language :: Python :: 3.7',
'Programming Language :: Python :: 3.8',
'Programming Language :: Python :: 3.9',
'Topic :: Scientific/Engineering :: Chemistry',
'Topic :: Scientific/Engineering :: Physics']
def readme():
'''Return the contents of the README.md file.'''
with open('README.rst') as freadme:
return freadme.read()
def setup_package():
setup(
name=MAIN_PACKAGE,
version=version.get_version(pep440=True),
url=URL,
description=DESCRIPTION,
author=AUTHOR,
author_email=EMAIL,
include_package_data=True,
keywords=KEYWORDS,
license=LICENSE,
long_description=readme(),
classifiers=CLASSIFIERS,
packages=find_packages('src'),
package_dir={'': 'src'},
install_requires=INSTALL_REQUIRES,
)
if __name__ == "__main__":
setup_package()