forked from phonopy/phonopy
-
Notifications
You must be signed in to change notification settings - Fork 0
/
setup3-mac.py
56 lines (54 loc) · 2.3 KB
/
setup3-mac.py
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
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']
# include_dirs_libflame = ['../libflame-bin/include']
# 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']
extension = Extension(
'anharmonic._phono3py',
include_dirs=(['c/harmonic_h',
'c/anharmonic_h',
'c/spglib_h'] +
include_dirs_numpy +
# include_dirs_libflame +
include_dirs_lapacke),
extra_compile_args=['-fopenmp'],
extra_link_args=['../lapack-3.5.0/liblapacke.a',
# '../libflame-bin/lib/libflame.a',
'-lgomp'],
# '/opt/local/lib/libopenblas.a',
# '-llapack',
# '-lblas'],
# ] + libs_libflame,
sources=['c/_phono3py.c',
'c/harmonic/dynmat.c',
# 'c/anharmonic/flame_wrapper.c',
'c/anharmonic/lapack_wrapper.c',
'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',
'c/anharmonic/phonon3/imag_self_energy_with_g.c',
'c/anharmonic/phonon3/collision_matrix.c',
'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',
version='0.9.2',
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])