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Commit 4d80c133 authored by James Graham's avatar James Graham
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Add setup.py

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setup.py 0 → 100644
from setuptools import setup, find_packages
CLASSIFIERS = [
# How mature is this project? Common values are
# 3 - Alpha
# 4 - Beta
# 5 - Production/Stable
'Development Status :: 5 - Production/Stable',
# Indicate who your project is intended for
'Intended Audience :: Science/Research',
'Topic :: Scientific/Engineering :: Chemistry',
# Pick your license as you wish (should match "license" above)
'License :: OSI Approved :: GNU General Public License v3 (GPLv3)',
# Specify the Python versions you support here. In particular, ensure
# that you indicate whether you support Python 2, Python 3 or both.
'Programming Language :: Python :: 3.3',
'Programming Language :: Python :: 3.4',
'Programming Language :: Python :: 3.5',
'Programming Language :: Python :: 3.6'
]
setup(
name='PyCGTOOL',
version='1.0.0.post3',
url='https://github.com/jag1g13/pycgtool',
license='GPLv3',
author='James Graham',
author_email='J.A.Graham@soton.ac.uk',
description='Automated generation of parameters for coarse-grained molecular dynamics simulation',
entry_points={'console_scripts': ['pycgtool.py=pycgtool.__main__:main']},
packages=find_packages(exclude=['test']),
classifiers=CLASSIFIERS,
keywords='molecular dynamics',
test_suite='test',
install_requires=['numpy', 'simpletraj'],
extras_require={
'mdtraj': ['cython', 'scipy', 'mdtraj'],
'numba': ['cython', 'numba'],
'test': ['pytest', 'coverage'],
'full': ['scipy', 'mdtraj', 'cython', 'numba', 'pytest', 'coverage']
}
# data_files=[('pycgtool_data', [])]
)
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