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setup.py
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setup.py
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from setuptools import setup
setup(
name='structure_comp',
version='0.1',
packages=['structure_comp'],
url='',
license='MIT',
install_requires=[
'numpy>=1.14.3', 'pymatgen', 'ase', 'tqdm', 'pandas', 'scipy>=1.3.0rc1',
'scikit-learn', 'numba', 'PyCifRW', 'matplotlib', 'mendeleev'
],
extras_require={
'testing': ['pytest', 'pytest-cov<2.6'],
'openbabel': ['openbabel'],
'docs': ['sphinx-rtd-theme', 'sphinxcontrib-bibtex'],
'pre-commit': [
'pre-commit==1.11.0', 'yapf==0.24.0', 'prospector==1.1.5',
'pylint==1.9.3'
]
},
author='Kevin M. Jablonka',
author_email='kevin.jablonka@epfl.ch',
classifiers=[
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.5",
"Programming Language :: Python :: 3.6",
"Programming Language :: Python :: 3.7",
"Development Status :: 1 - Beta",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Operating System :: OS Independent",
"Topic :: Scientific/Engineering :: Information Analysis",
"Topic :: Scientific/Engineering :: Physics",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Software Development :: Libraries :: Python Modules"
],
description=
'small, efficient package to clean and analyze structural databases')