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setup.py
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setup.py
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#!/usr/bin/env python
# -*- coding: utf-8 -*-
from os import path
from dpgen import NAME,SHORT_CMD
import setuptools
readme_file = path.join(path.dirname(path.abspath(__file__)), 'README.md')
try:
from m2r import parse_from_file
readme = parse_from_file(readme_file)
except ImportError:
with open(readme_file) as f:
readme = f.read()
install_requires=['numpy>=1.14.3', 'dpdata>=0.1.3', 'pymatgen>=2017.9.1', 'ase', 'monty>2.0.0', 'paramiko', 'custodian']
setuptools.setup(
name=NAME,
version_format='{tag}.dev{commitcount}+{gitsha}',
setup_requires=['setuptools-git-version'],
author="Han Wang",
author_email="wang_han@iapcm.ac.cn",
description="DPGen: The deep potential generator",
long_description=readme,
long_description_content_type="text/markdown",
url="https://github.com/deepmodeling/dpgen",
packages=['dpgen',
'dpgen/generator',
'dpgen/generator/lib',
'dpgen/auto_test',
'dpgen/auto_test/lib',
'dpgen/data',
'dpgen/data/tools',
'dpgen/remote',
'dpgen/database'
],
# package_data={'example':['*.json']},
classifiers=[
"Programming Language :: Python :: 3.6",
"License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
],
keywords='lammps vasp deepmd-kit',
install_requires=install_requires,
entry_points={
'console_scripts': [
SHORT_CMD+'= dpgen.main:main']
}
)