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setup.py
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from distutils.core import setup, Extension
import numpy
include_dirs_numpy = [numpy.get_include()]
extension = Extension('realmd._ac',
extra_compile_args=['-fopenmp'],
extra_link_args=['-lgomp'],
include_dirs=['c/ac_h'] + include_dirs_numpy,
sources=['c/_ac.c',
'c/ac/ac.c'])
extension_mdfc = Extension('mdfc._mdfc',
extra_compile_args=['-fopenmp'],
extra_link_args=['-lgomp',
'-lopenblas'],
include_dirs=['c/mdfc_h'] + include_dirs_numpy,
sources=['c/_mdfc.c',
'c/mdfc/lapack_wrapper.c',
'c/mdfc/fc2.c',
'c/mdfc/fc3.c',
'c/mdfc/force_constants.c',
'c/mdfc/mathfunc.c'])
setup(name='molatics',
version='0.3',
description='This is the molecular + lattice dynamics module.',
author='Wang Xinjiang',
author_email='[email protected]',
packages=['realmd', 'realmd.mddos', 'mdfc', 'realmd.mdkappa'],
scripts=['scripts/mdos',
'scripts/mkappa',
'scripts/fca',
'scripts/mdfc'],
ext_modules=[extension,
extension_mdfc])