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setup.py
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setup.py
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# -*- coding: utf-8 -*-
from setuptools import find_packages
from distutils.core import setup
#from pymove.molecules.marching_cubes_numba_compilation import cc
setup(
name='pymove',
version='0.0',
packages=['pymove',
'pymove/io',
'pymove/molecules',
'pymove/crystals',
'pymove/libmpi',
'pymove/models',
'pymove/cli',
],
#find_packages(exclude=[]),
install_requires=['numpy', 'matplotlib', 'sklearn',
'pandas','pymatgen', 'scipy', 'pymongo',
'torch', 'numba', "mpi4py",
"ase @ https://gitlab.com/ase/tarball/master",
"pycifrw",
"pyvtk",
"pyvista",
"mayavi"],
entry_points={'console_scripts': ['pymove=pymove.cli.main:main']},
#ext_modules=[cc.distutils_extension()],
)