112 lines
4.1 KiB
Python
Executable File
112 lines
4.1 KiB
Python
Executable File
from setuptools import setup#, Extension
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from Cython.Build import cythonize, build_ext
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from distutils.extension import Extension
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# setuptools DWIM monkey-patch madness
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# http://mail.python.org/pipermail/distutils-sig/2007-September/thread.html#8204
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#import sys
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#if 'setuptools.extension' in sys.modules:
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# m = sys.modules['setuptools.extension']
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# m.Extension.__dict__ = m._Extension.__dict__
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# TODO CHECK THIS OUT http://stackoverflow.com/questions/4056657/what-is-the-easiest-way-to-make-an-optional-c-extension-for-a-python-package
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# also this: https://docs.python.org/2/extending/building.html
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import os
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print("You might want to add additional library path to LD_LIBRARY_PATH (especially if you are not using"
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" GNU GSL in your system library path) and if import fails. ")
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if("LD_LIBRARY_PATH" in os.environ):
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print(os.environ['LD_LIBRARY_PATH'].split(':'))
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amos_sources = [
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'amos/d1mach.f',
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'amos/dgamln.f',
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'amos/i1mach.f',
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'amos/xerror.f',
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'amos/zabs.f',
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'amos/zacai.f',
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'amos/zacon.f',
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'amos/zairy.f',
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'amos/zasyi.f',
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'amos/zbesh.f',
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'amos/zbesi.f',
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'amos/zbesj.f',
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'amos/zbesk.f',
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'amos/zbesy.f',
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'amos/zbinu.f',
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'amos/zbiry.f',
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'amos/zbknu.f',
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'amos/zbuni.f',
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'amos/zbunk.f',
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'amos/zdiv.f',
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'amos/zexp.f',
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'amos/zkscl.f',
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'amos/zlog.f',
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'amos/zmlri.f',
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'amos/zmlt.f',
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'amos/zrati.f',
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'amos/zs1s2.f',
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'amos/zseri.f',
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'amos/zshch.f',
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'amos/zsqrt.f',
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'amos/zuchk.f',
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'amos/zunhj.f',
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'amos/zuni1.f',
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'amos/zuni2.f',
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'amos/zunik.f',
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'amos/zunk1.f',
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'amos/zunk2.f',
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'amos/zuoik.f',
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'amos/zwrsk.f',
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]
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qpms_c = Extension('qpms_c',
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sources = ['qpms/qpms_c.pyx', #'qpms/hexpoints_c.pyx',
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'qpms/gaunt.c',#'qpms/gaunt.h','qpms/vectors.h','qpms/translations.h',
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# FIXME http://stackoverflow.com/questions/4259170/python-setup-script-extensions-how-do-you-include-a-h-file
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'qpms/translations.c',
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'qpms/symmetries.c',
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'qpms/wigner.c',
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'qpms/scatsystem.c',
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'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"
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'qpms/legendre.c',
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'qpms/tmatrices.c',
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'qpms/materials.c',
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'qpms/error.c',
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'qpms/bessel.c',
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'qpms/own_zgemm.c',
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'qpms/pointgroups.c',
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],
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extra_compile_args=['-std=c99','-ggdb', '-O0',
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'-DQPMS_COMPILE_PYTHON_EXTENSIONS', # this is required
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#'-DQPMS_USE_OMP',
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'-DQPMS_SCATSYSTEM_USE_OWN_BLAS',
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'-DDISABLE_NDEBUG', # uncomment to enable assertions in the modules
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#'-fopenmp',
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],
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libraries=['gsl', 'lapacke', 'blas', 'gslcblas', 'pthread', #'omp'
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# TODO resolve the problem with openblas (missing gotoblas symbol) and preferable use other blas library
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#('amos', dict(sources=amos_sources) ),
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],
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include_dirs=['amos'],
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extra_link_args=['amos/libamos.a'],
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runtime_library_dirs=os.environ['LD_LIBRARY_PATH'].split(':') if 'LD_LIBRARY_PATH' in os.environ else [],
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#extra_objects = ['amos/libamos.a'], # FIXME apparently, I would like to eliminate the need to cmake/make first
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)
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setup(name='qpms',
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version = "0.2.995",
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packages=['qpms'],
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# libraries = [('amos', {'sources': amos_sources} )],
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setup_requires=['cython>=0.28',],
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install_requires=['cython>=0.28',
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#'quaternion','spherical_functions',
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'scipy>=0.18.0', 'sympy>=1.2'],
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#dependency_links=['https://github.com/moble/quaternion/archive/v2.0.tar.gz','https://github.com/moble/spherical_functions/archive/master.zip'],
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ext_modules=cythonize([qpms_c], include_path=['qpms', 'amos'], gdb_debug=True),
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cmdclass = {'build_ext': build_ext},
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)
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