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setup.py
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setup.py
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from setuptools import find_packages, setup, Extension
import numpy
tricube_cpp_module = Extension(
'mff.interpolation.tricube_cpp._tricube',
sources=["mff/interpolation/tricube_cpp/tricube_module.c", "mff/interpolation/tricube_cpp/_tricube.c"],
include_dirs=[numpy.get_include()]
)
with open("README.md", "r") as fh:
long_description = fh.read()
setup(
name='mff',
version='1.1.2',
author='Claudio Zeni, Adam Fekete, Aldo Glielmo',
author_email='',
description='Gaussian process regression to extract non-parametric 2-, 3- and many-body force fields.',
long_description=long_description,
long_description_content_type="text/markdown",
url="https://github.com/kcl-tscm/mff",
packages=find_packages(),
ext_modules=[tricube_cpp_module],
package_data={
# If any package contains source code files, include them:
'': ['*.h', '*.c', '*.pyf']
},
python_requires='>=3.6',
install_requires=[
'numpy >= 1.17',
'asap3 >= 3.11',
'ase',
'theano >= 1.0.4',
'scipy'
],
classifiers=[
'Development Status :: 4 - Beta',
'Intended Audience :: Developers',
'Intended Audience :: Science/Research',
'Programming Language :: Python :: 3',
'License :: OSI Approved',
'Topic :: Scientific/Engineering :: Physics'
],
)