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setup.py
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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_phonopy = Extension(
'phonopy._phonopy',
# extra_compile_args=['-fopenmp'],
# extra_link_args=['-lgomp'],
include_dirs=['c/harmonic_h'] + include_dirs_numpy,
sources=['c/_phonopy.c',
'c/harmonic/dynmat.c',
'c/harmonic/derivative_dynmat.c'])
extension_spglib = Extension(
'phonopy._spglib',
include_dirs=['c/spglib_h'] + include_dirs_numpy,
# extra_compile_args=['-fopenmp'],
# extra_link_args=['-lgomp'],
sources=['c/_spglib.c',
'c/spglib/cell.c',
'c/spglib/debug.c',
'c/spglib/hall_symbol.c',
'c/spglib/kpoint.c',
'c/spglib/lattice.c',
'c/spglib/mathfunc.c',
'c/spglib/niggli.c',
'c/spglib/pointgroup.c',
'c/spglib/primitive.c',
'c/spglib/refinement.c',
'c/spglib/sitesym_database.c',
'c/spglib/site_symmetry.c',
'c/spglib/spacegroup.c',
'c/spglib/spg_database.c',
'c/spglib/spglib.c',
'c/spglib/spin.c',
'c/spglib/symmetry.c',
'c/spglib/tetrahedron_method.c'])
packages_phonopy = ['phonopy',
'phonopy.cui',
'phonopy.gruneisen',
'phonopy.harmonic',
'phonopy.interface',
'phonopy.phonon',
'phonopy.qha',
'phonopy.structure']
scripts_phonopy = ['scripts/phonopy',
'scripts/phonopy-qha',
'scripts/phonopy-FHI-aims',
'scripts/bandplot',
'scripts/outcar-born',
'scripts/propplot',
'scripts/tdplot',
'scripts/dispmanager',
'scripts/gruneisen',
'scripts/pdosplot']
if __name__ == '__main__':
setup(name='phonopy',
version='1.9.4-rc1',
description='This is the phonopy module.',
author='Atsushi Togo',
author_email='atz.togo@gmail.com',
url='http://phonopy.sourceforge.net/',
packages=packages_phonopy,
scripts=scripts_phonopy,
ext_modules=[extension_phonopy, extension_spglib])