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setup.py
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setup.py
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"""
Example setup file
"""
import setuptools
if __name__ == "__main__":
setuptools.setup(
name='off_psi4',
version="0.0.1",
description='Generate conformers for quantum mechanical calculations',
author='Victoria Lim',
author_email='limvt@uci.edu',
url="https://github.com/vtlim/off_psi4",
license='MIT',
packages=setuptools.find_packages(),
install_requires=[
'numpy>=1.7',
],
extras_require={
'tests': [
'pytest',
'pytest-cov',
'pytest-pep8',
'tox',
],
},
tests_require=[
'pytest',
'pytest-cov',
'pytest-pep8',
'tox',
],
classifiers=[
'Development Status :: 4 - Beta',
'Intended Audience :: Science/Research',
'Programming Language :: Python :: 2.7',
'Programming Language :: Python :: 3',
],
zip_safe=True,
)