2014-02-19 13:23:52 +08:00
|
|
|
from distutils.core import setup, Extension
|
|
|
|
|
#from setuptools import setup, Extension
|
|
|
|
|
import numpy
|
|
|
|
|
include_dirs_numpy = [numpy.get_include()]
|
|
|
|
|
include_dirs_lapacke = ['../lapack-3.5.0/lapacke/include']
|
2014-05-22 10:38:28 +08:00
|
|
|
# include_dirs_libflame = ['../libflame-bin/include']
|
2014-05-10 21:10:23 +08:00
|
|
|
# libs_libflame = ['-L/opt/local/lib/gcc48/gcc/x86_64-apple-darwin13/4.8.2 -L/opt/local/lib/gcc48/gcc/x86_64-apple-darwin13/4.8.2/../../.. -lgfortran -lquadmath -lm']
|
2014-02-19 13:23:52 +08:00
|
|
|
|
|
|
|
|
extension = Extension(
|
|
|
|
|
'anharmonic._phono3py',
|
|
|
|
|
include_dirs=(['c/harmonic_h',
|
|
|
|
|
'c/anharmonic_h',
|
|
|
|
|
'c/spglib_h'] +
|
2014-05-06 21:46:28 +08:00
|
|
|
include_dirs_numpy +
|
2014-05-22 10:38:28 +08:00
|
|
|
# include_dirs_libflame +
|
|
|
|
|
include_dirs_lapacke),
|
2014-02-19 13:23:52 +08:00
|
|
|
extra_compile_args=['-fopenmp'],
|
2014-03-12 05:18:01 +08:00
|
|
|
extra_link_args=['../lapack-3.5.0/liblapacke.a',
|
2014-05-22 10:38:28 +08:00
|
|
|
# '../libflame-bin/lib/libflame.a',
|
2014-05-10 21:10:23 +08:00
|
|
|
'-lgomp'],
|
|
|
|
|
# '/opt/local/lib/libopenblas.a',
|
2014-02-19 13:23:52 +08:00
|
|
|
# '-llapack',
|
|
|
|
|
# '-lblas'],
|
2014-05-10 21:10:23 +08:00
|
|
|
# ] + libs_libflame,
|
2014-02-19 13:23:52 +08:00
|
|
|
sources=['c/_phono3py.c',
|
|
|
|
|
'c/harmonic/dynmat.c',
|
2014-05-22 10:38:28 +08:00
|
|
|
# 'c/anharmonic/flame_wrapper.c',
|
2014-05-06 21:46:28 +08:00
|
|
|
'c/anharmonic/lapack_wrapper.c',
|
2014-02-19 13:23:52 +08:00
|
|
|
'c/anharmonic/phonoc_array.c',
|
|
|
|
|
'c/anharmonic/phonoc_math.c',
|
|
|
|
|
'c/anharmonic/phonoc_utils.c',
|
|
|
|
|
'c/anharmonic/phonon3/fc3.c',
|
|
|
|
|
'c/anharmonic/phonon3/frequency_shift.c',
|
|
|
|
|
'c/anharmonic/phonon3/interaction.c',
|
|
|
|
|
'c/anharmonic/phonon3/real_to_reciprocal.c',
|
|
|
|
|
'c/anharmonic/phonon3/reciprocal_to_normal.c',
|
|
|
|
|
'c/anharmonic/phonon3/imag_self_energy.c',
|
2014-04-29 11:14:19 +08:00
|
|
|
'c/anharmonic/phonon3/imag_self_energy_with_g.c',
|
|
|
|
|
'c/anharmonic/phonon3/collision_matrix.c',
|
2014-02-19 13:23:52 +08:00
|
|
|
'c/anharmonic/other/isotope.c',
|
|
|
|
|
'c/spglib/debug.c',
|
|
|
|
|
'c/spglib/kpoint.c',
|
|
|
|
|
'c/spglib/mathfunc.c',
|
|
|
|
|
'c/spglib/tetrahedron_method.c'])
|
|
|
|
|
|
|
|
|
|
setup(name='phono3py',
|
2014-04-16 12:36:21 +08:00
|
|
|
version='0.8.9',
|
2014-02-19 13:23:52 +08:00
|
|
|
description='This is the phono3py module.',
|
|
|
|
|
author='Atsushi Togo',
|
|
|
|
|
author_email='atz.togo@gmail.com',
|
|
|
|
|
url='http://phonopy.sourceforge.net/',
|
|
|
|
|
packages=['anharmonic',
|
|
|
|
|
'anharmonic.other',
|
|
|
|
|
'anharmonic.phonon3'],
|
|
|
|
|
scripts=['scripts/phono3py'],
|
|
|
|
|
ext_modules=[extension])
|
