qpms/setup.py

172 lines
5.9 KiB
Python
Executable File

from setuptools import setup, dist#, Extension
from distutils.extension import Extension
# We need to have numpy and cython imported before calling cythonize
# cf. https://luminousmen.com/post/resolve-cython-and-numpy-dependencies
# and https://github.com/pypa/pip/issues/5761
dist.Distribution().fetch_build_eggs(['Cython>=0.28', 'numpy>=1.2'])
from Cython.Build import cythonize, build_ext
import numpy
numpy_includes=numpy.get_include()
# setuptools DWIM monkey-patch madness
# http://mail.python.org/pipermail/distutils-sig/2007-September/thread.html#8204
#import sys
#if 'setuptools.extension' in sys.modules:
# m = sys.modules['setuptools.extension']
# m.Extension.__dict__ = m._Extension.__dict__
# TODO CHECK THIS OUT http://stackoverflow.com/questions/4056657/what-is-the-easiest-way-to-make-an-optional-c-extension-for-a-python-package
# AND THIS https://groups.google.com/forum/#!topic/cython-users/GAAPYb2X304
# also this: https://docs.python.org/2/extending/building.html
import os
#print("You might want to add additional library path to LD_LIBRARY_PATH (especially if you are not using"
# " GNU GSL in your system library path) and if import fails. ")
#if("LD_LIBRARY_PATH" in os.environ):
# print(os.environ['LD_LIBRARY_PATH'].split(':'))
'''
amos_sources = [
'amos/d1mach.f',
'amos/dgamln.f',
'amos/i1mach.f',
'amos/xerror.f',
'amos/zabs.f',
'amos/zacai.f',
'amos/zacon.f',
'amos/zairy.f',
'amos/zasyi.f',
'amos/zbesh.f',
'amos/zbesi.f',
'amos/zbesj.f',
'amos/zbesk.f',
'amos/zbesy.f',
'amos/zbinu.f',
'amos/zbiry.f',
'amos/zbknu.f',
'amos/zbuni.f',
'amos/zbunk.f',
'amos/zdiv.f',
'amos/zexp.f',
'amos/zkscl.f',
'amos/zlog.f',
'amos/zmlri.f',
'amos/zmlt.f',
'amos/zrati.f',
'amos/zs1s2.f',
'amos/zseri.f',
'amos/zshch.f',
'amos/zsqrt.f',
'amos/zuchk.f',
'amos/zunhj.f',
'amos/zuni1.f',
'amos/zuni2.f',
'amos/zunik.f',
'amos/zunk1.f',
'amos/zunk2.f',
'amos/zuoik.f',
'amos/zwrsk.f',
]
libqpms_sources = [
#'qpms/hexpoints_c.pyx',
'qpms/gaunt.c',#'qpms/gaunt.h','qpms/vectors.h','qpms/translations.h',
# FIXME http://stackoverflow.com/questions/4259170/python-setup-script-extensions-how-do-you-include-a-h-file
'qpms/translations.c',
'qpms/symmetries.c',
'qpms/wigner.c',
'qpms/scatsystem.c',
'qpms/vswf.c', # FIXME many things from vswf.c are not required by this module, but they have many dependencies (following in this list); maybe I want to move all the "basespec stuff"
'qpms/legendre.c',
'qpms/tmatrices.c',
'qpms/materials.c',
'qpms/error.c',
'qpms/bessel.c',
'qpms/own_zgemm.c',
'qpms/pointgroups.c',
]
'''
common_libs=['qpms', 'gsl', 'lapacke', 'blas', 'pthread',]
cycommon = Extension('qpms.cycommon',
sources = ['qpms/cycommon.pyx'],
#extra_link_args=['qpms/libqpms.a'],
libraries = common_libs,
include_dirs = [numpy_includes],
)
cytmatrices = Extension('qpms.cytmatrices',
sources = ['qpms/cytmatrices.pyx'],
#extra_link_args=['qpms/libqpms.a', 'amos/libamos.a'],
libraries = common_libs,
include_dirs = [numpy_includes],
)
cywaves = Extension('qpms.cywaves',
sources = ['qpms/cywaves.pyx'],
libraries = common_libs,
include_dirs = [numpy_includes],
)
cytranslations = Extension('qpms.cytranslations',
sources = ['qpms/cytranslations.pyx',
'qpms/translations_python.c',
],
extra_compile_args=['-std=c99',
'-DQPMS_COMPILE_PYTHON_EXTENSIONS', # This is needed to enable it in translations.h
],
#extra_link_args=['qpms/libqpms.a', 'amos/libamos.a'],
libraries = common_libs,
include_dirs = [numpy_includes],
)
cybspec = Extension('qpms.cybspec',
sources = ['qpms/cybspec.pyx'],
#extra_link_args=['qpms/libqpms.a'],
libraries = common_libs,
include_dirs = [numpy_includes],
)
cymaterials = Extension('qpms.cymaterials',
sources = ['qpms/cymaterials.pyx'],
#extra_link_args=['qpms/libqpms.a'],
libraries = common_libs,
include_dirs = [numpy_includes],
)
cyquaternions = Extension('qpms.cyquaternions',
sources = ['qpms/cyquaternions.pyx'],
#extra_link_args=['amos/libamos.a', 'qpms/libqpms.a'],
libraries = common_libs,
include_dirs = [numpy_includes],
)
cyewaldtest = Extension('qpms.cyewaldtest',
sources = ['qpms/cyewaldtest.pyx'],
libraries = common_libs,
include_dirs = [numpy_includes],
)
qpms_c = Extension('qpms.qpms_c',
sources = ['qpms/qpms_c.pyx',],
libraries = common_libs,
include_dirs=['amos', 'qpms', numpy_includes],
extra_link_args=['-fopenmp'],
extra_compile_args=['-fopenmp'],
)
setup(name='qpms',
version = "0.2.996",
packages=['qpms'],
# libraries = [('amos', {'sources': amos_sources} )],
setup_requires=['cython>=0.28','numpy>=1.2','setuptools>=18.0'],
install_requires=['cython>=0.28',
#'quaternion','spherical_functions',
'sympy>=1.2', 'numpy>=1.2'],
#dependency_links=['https://github.com/moble/quaternion/archive/v2.0.tar.gz','https://github.com/moble/spherical_functions/archive/master.zip'],
ext_modules=cythonize([qpms_c, cywaves, cytranslations, cytmatrices, cycommon, cyquaternions, cybspec, cymaterials, cyewaldtest], include_path=['qpms', 'amos'], gdb_debug=True),
cmdclass = {'build_ext': build_ext},
zip_safe=False
)