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setup.py
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setup.py
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from setuptools import setup, find_packages
import sys
try:
import mdtraj
except ImportError:
print('Building and running cg_mapping requires mdtraj. See '
'http://mdtraj.org/latest/installation.html for help!')
sys.exit(1)
setup(name='cg_mapping',
version='0.1',
description=('Using MDTraj libraries and user-defined mapping '
'files, convert an atomistic trajectory to a coarse-grained '
'trajectory'),
url='https://github.com/ahy3nz/cg_mapping',
author='Alexander H. Yang',
author_email='[email protected]',
license='MIT',
packages=find_packages(),
package_dir={'cg_mapping': 'cg_mapping'},
include_package_data=True,
install_requires=["mdtraj", "mbuild", "foyer", "numpy", ],
)