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setup.py
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setup.py
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#!/usr/bin/env python
import os,subprocess
import glob
import codecs
from setuptools import setup, find_packages
from setuptools.command.develop import develop
from setuptools.command.install import install
from subprocess import check_call
module_dir = os.path.dirname(os.path.abspath(__file__))
# these things are needed for the README.md show on pypi
here = os.path.abspath(os.path.dirname(__file__))
with codecs.open(os.path.join(here, "README.md"), encoding="utf-8") as fh:
long_description = "\n" + fh.read()
VERSION = '2.0.4'
DESCRIPTION = "SLICES"
if __name__ == "__main__":
setup(
name = 'slices',
version = VERSION,
setup_requires=[],
python_requires='>=3.9',
install_requires=['setuptools>=18.0','numpy==1.26.4','m3gnet==0.2.4','scikit-learn==1.3.1', 'smact==2.5.5','chgnet==0.3.2','tensorflow==2.15','pymatgen==2023.11.12','scipy==1.13.0','ase==3.22.1'],
description=DESCRIPTION,
long_description_content_type="text/markdown",
long_description=long_description,
author = 'Hang Xiao',
author_email = '[email protected]',
packages = find_packages(),
package_data={"slices": ["nlopt.h", "xtb_noring_nooutput_nostdout_noCN","./MP-2021.2.8-EFS/checkpoint",\
"./MP-2021.2.8-EFS/m3gnet.data-00000-of-00001","./MP-2021.2.8-EFS/m3gnet.index","./MP-2021.2.8-EFS/m3gnet.json"]},
platforms = 'any',
license="GPL 2.1",
)