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setup.py
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from setuptools import setup, find_packages, Distribution, Extension
extensions = [Extension("lib.libcluskit3",
["src/cluskit.c"],
include_dirs=["src"],
libraries=["m"],
extra_compile_args=["-O3", "-std=c99"]
)]
if __name__=="__main__":
setup(name="cluskit",
url="https://github.com/SINGROUP/SOAPLite",
version="4.2.0",
description=("(Nano)CLUSter KIT for surface chemistry."), author="Marc Jaeger", author_email="marc.jager@aalto.fi",
packages = find_packages(),
install_requires =["numpy>=1.14.2",
"scipy",
"dscribe>=0.2.7",
"ase",]
, python_requires='>=2.2, <4', keywords="descriptor materials science machine learning soap local environment materials physics symmetry reduction adsorption sites",
license="LGPLv3", classifiers=['Topic :: Scientific/Engineering :: Physics', 'Operating System :: POSIX :: Linux' ,'Topic :: Scientific/Engineering :: Chemistry','Topic :: Scientific/Engineering :: Artificial Intelligence','License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)', 'Development Status :: 4 - Beta', 'Intended Audience :: Science/Research','Intended Audience :: Religion', 'Intended Audience :: Education','Intended Audience :: Developers','Programming Language :: Python','Programming Language :: C' ],
package_data={
'cluskit':['lib/libcluskit.so']},
ext_modules=extensions)