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setup.py
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setup.py
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import sys
from setuptools import find_packages
from distutils.core import setup
try:
from numpy.distutils.core import Extension
from numpy.distutils.core import setup
except ImportError:
raise RuntimeError('Numpy Needs to be installed '
'for extensions')
# Check python version
if sys.version_info[:2] < (3, 0):
raise RuntimeError("Python version >= 3.0 required.")
import numpy.distutils.system_info as sysinfo
lapack_opt = sysinfo.get_info('lapack_opt')
if len(lapack_opt) == 0:
raise RuntimeError('No Lapack found, please install Lapack libraries to install turbosoap_dscribe')
libraries = lapack_opt['libraries']
library_dirs = lapack_opt['library_dirs']
turbosoap_ext = Extension(name='turbosoap_ext',
sources = ['turbosoap_ext.pyf',
'turbogap/src/angular.f90',
'turbogap/src/functions.f90',
'turbogap/src/neighbors.f90',
'turbogap/src/radial.f90',
'turbogap/src/soap.f90' ,
],
libraries=libraries,
library_dirs=library_dirs
)
if __name__ == "__main__":
setup(name="turbosoap_dscribe",
version="0.1.2",
url="",
description="An optional dependency of DScribe which provides TurboSOAP machine learning descriptor",
long_description="An optional dependency of DScribe which provides TurboSOAP machine learning descriptor",
packages=find_packages(),
ext_modules=[turbosoap_ext],
setup_requires=["numpy"],
install_requires=["dscribe"]
)