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setup.py 1.96 KB
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Jinzhe Zeng 提交于 2022-05-30 20:40 . add DPRc implementation (#729)
#!/usr/bin/env python
# -*- coding: utf-8 -*-
from os import path
from dpgen import NAME,SHORT_CMD
import setuptools, datetime
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()
today = datetime.date.today().strftime("%b-%d-%Y")
with open(path.join('dpgen', '_date.py'), 'w') as fp :
fp.write('date = \'%s\'' % today)
install_requires=['numpy>=1.14.3', 'dpdata>=0.2.6', 'pymatgen>=2019.1.13', 'ase', 'monty>2.0.0', 'paramiko', 'custodian','GromacsWrapper>=0.8.0', 'dpdispatcher>=0.3.11', 'netCDF4']
setuptools.setup(
name=NAME,
use_scm_version={'write_to': 'dpgen/_version.py'},
setup_requires=['setuptools_scm'],
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",
python_requires="~=3.6",
packages=['dpgen',
'dpgen/generator',
'dpgen/generator/lib',
'dpgen/auto_test',
'dpgen/auto_test/lib',
'dpgen/data',
'dpgen/data/tools',
'dpgen/remote',
'dpgen/dispatcher',
'dpgen/database',
'dpgen/tools',
'dpgen/simplify',
'dpgen/collect',
],
# data_files = [('dpgen/tools/', ['dpgen/tools/update_time.sh', ])],
# package_data={'example':['*.json']},
classifiers=[
"Programming Language :: Python :: 3.6",
"License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
],
keywords='deep potential generator active learning deepmd-kit',
install_requires=install_requires,
entry_points={
'console_scripts': [
SHORT_CMD+'= dpgen.main:main']
}
)
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