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setup.py
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34 lines (30 loc) · 1.08 KB
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"""
BAP - Bond Angle Printer
"""
from os.path import abspath, dirname
from setuptools import setup, find_packages
project_dir = abspath(dirname(__file__))
setup(
name='bap',
version='1.0.0',
description='quick way of getting bond angles out of a VASP POSCAR',
url="https://github.com/badw/bap",
author="Benjamin A. D. Williamson",
author_email="benjamin.williamson@ntnu.no",
license='MIT',
classifiers=[
'Development Status :: 3 - Alpha',
'Intended Audience :: Science/Research',
'License :: OSI Approved :: MIT License',
'Natural Language :: English',
'Programming Language :: Python :: 3',
'Topic :: Scientific/Engineering :: Chemistry',
'Topic :: Scientific/Engineering :: Physics'
],
keywords='chemistry pymatgen physics dft vasp',
packages=find_packages(),
install_requires=['tabulate','numpy', 'pandas', 'pymatgen','argparse'],
entry_points={'console_scripts': [
'bap-bap = bap.bond_angles:main',
'bap-tilt = bap.tilt_angles:main']},
)