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setup.py
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55 lines (52 loc) · 1.77 KB
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"""
Open3SPN2
An Implementation of the 3SPN.2 and 3SPN.2C coarse-grained molecular models of DNA in OpenMM.
"""
import sys
from setuptools import setup, find_packages
import versioneer
print(f"Version {versioneer.get_version()}")
short_description = __doc__.split("\n")
try:
with open("README.md", "r") as handle:
long_description = handle.read()
except:
long_description = "\n".join(short_description[2:])
setup(
name = 'open3SPN2',
packages = find_packages(),
version=versioneer.get_version(),
cmdclass=versioneer.get_cmdclass(),
license='MIT',
description = short_description[0],
long_description=long_description,
long_description_content_type="text/markdown",
author = 'Carlos Bueno',
author_email = 'carlos.bueno@rice.edu',
url = 'https://github.com/cabb99/open3spn2',
download_url = 'https://github.com/cabb99/open3spn2/archive/0.3.3.tar.gz',
keywords = ['dna', 'forcefield', 'openmm'],
package_data={'open3SPN2': ['3SPN2.conf','3SPN2.xml','DNA_atomic.csv']},
include_package_data=True,
install_requires=[
'biopython',
'pandas',
'numpy',
'scipy',
'mdtraj',
'openmm',
'pdbfixer',
'nose',
],
classifiers=[
'Development Status :: 3 - Alpha',
'Intended Audience :: Science/Research',
'Topic :: Scientific/Engineering :: Physics',
'License :: OSI Approved :: MIT License',
'Programming Language :: Python :: 3',
'Programming Language :: Python :: 3.4',
'Programming Language :: Python :: 3.5',
'Programming Language :: Python :: 3.6',
'Programming Language :: Python :: 3.7',
],
)