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setup.py 865 Bytes
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FengGo 提交于 2023-08-22 12:07 . update setup.py.
from setuptools import setup, find_packages
# from distutils.core import setup
from Cython.Distutils import build_ext
from Cython.Build import cythonize
'''
install with commond
"python setup.py build_ext --inplace"
"python setup install --user"
'''
__version__ = '1.5.5'
install_requires = ['numpy','ase','tensorflow','matplotlib','paramiko']
url = "https://gitee.com/fenggo/I-ReaxFF"
setup(name="irff",
version=__version__,
description="Intelligent Reactive Force Field",
author="FengGo",
author_email='fengguo@lcu.edu.cn',
url=url,
download_url='{}/archive/{}.tar.gz'.format(url, __version__),
license="LGPL",
packages= find_packages(),
package_data={'': ['*.gen','*.pyx']},
ext_modules=cythonize(['irff/neighbor.pyx','irff/getNeighbor.pyx'],annotate=True))
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https://gitee.com/skysheng74/I-ReaxFF.git
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