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import os
import sys
try:
from setuptools import setup, Extension
from setuptools.command.build_ext import build_ext as _build_ext
use_setuptools = True
class build_ext(_build_ext):
def finalize_options(self):
_build_ext.finalize_options(self)
# Prevent numpy from thinking it is still in its setup process:
if sys.version_info[0] >= 3:
import builtins
if hasattr(builtins, '__NUMPY_SETUP__'):
del builtins.__NUMPY_SETUP__
import importlib
import numpy
importlib.reload(numpy)
else:
import __builtin__
if hasattr(__builtin__, '__NUMPY_SETUP__'):
del __builtin__.__NUMPY_SETUP__
import imp
import numpy
imp.reload(numpy)
self.include_dirs.append(numpy.get_include())
print("setuptools is used.")
except ImportError:
from distutils.core import setup, Extension
use_setuptools = False
print("distutils is used.")
try:
from numpy.distutils.misc_util import get_numpy_include_dirs
except ImportError:
print("numpy.distutils.misc_util cannot be imported. Please install "
"numpy first before installing spglib...")
sys.exit(1)
# Workaround Python issue 21121
import sysconfig
config_var = sysconfig.get_config_var("CFLAGS")
if (config_var is not None and
"-Werror=declaration-after-statement" in config_var):
os.environ['CFLAGS'] = config_var.replace(
"-Werror=declaration-after-statement", "")
sources = ['arithmetic.c',
'cell.c',
'delaunay.c',
'debug.c',
'determination.c',
'hall_symbol.c',
'kgrid.c',
'kpoint.c',
'mathfunc.c',
'niggli.c',
'overlap.c',
'pointgroup.c',
'primitive.c',
'refinement.c',
'sitesym_database.c',
'site_symmetry.c',
'spacegroup.c',
'spin.c',
'spg_database.c',
'spglib.c',
'symmetry.c']
if os.path.exists('src'):
source_dir = "src"
else:
source_dir = "../src"
include_dirs = [source_dir, ]
if not use_setuptools:
include_dirs += get_numpy_include_dirs()
for i, s in enumerate(sources):
sources[i] = "%s/%s" % (source_dir, s)
extra_compile_args = []
extra_link_args = []
define_macros = []
## Uncomment to activate OpenMP support for gcc
# extra_compile_args += ['-fopenmp']
# extra_link_args += ['-lgomp']
## For debugging
# define_macros = [('SPGWARNING', None),
# ('SPGDEBUG', None)]
extension = Extension('spglib._spglib',
include_dirs=include_dirs,
sources=['_spglib.c'] + sources,
extra_compile_args=extra_compile_args,
extra_link_args=extra_link_args,
define_macros=define_macros)
version_nums = [None, None, None]
with open("%s/version.h" % source_dir) as w:
for line in w:
for i, chars in enumerate(("MAJOR", "MINOR", "MICRO")):
if chars in line:
version_nums[i] = int(line.split()[2])
# To deploy to pypi by travis-CI
nanoversion = 0
if os.path.isfile("__nanoversion__.txt"):
with open('__nanoversion__.txt') as nv:
try:
for line in nv:
nanoversion = int(line.strip())
break
except ValueError:
nanoversion = 0
version_nums.append(nanoversion)
if None in version_nums:
print("Failed to get version number in setup.py.")
raise
version = ".".join(["%d" % n for n in version_nums[:3]])
if len(version_nums) > 3:
version += "-%d" % version_nums[3]
if use_setuptools:
setup(name='spglib',
version=version,
cmdclass={'build_ext': build_ext},
setup_requires=['numpy', 'setuptools>=18.0'],
license='BSD-3-Clause',
description='This is the spglib module.',
long_description=open('README.rst', 'rb').read().decode('utf-8'),
long_description_content_type='text/x-rst',
author='Atsushi Togo',
author_email='atz.togo@gmail.com',
url='http://atztogo.github.io/spglib/',
packages=['spglib'],
install_requires=['numpy'],
provides=['spglib'],
platforms=['all'],
ext_modules=[extension],
test_suite='nose.collector',
tests_require=['nose'])
else:
setup(name='spglib',
version=version,
license='BSD-3-Clause',
description='This is the spglib module.',
long_description=open('README.rst', 'rb').read().decode('utf-8'),
long_description_content_type='text/x-rst',
author='Atsushi Togo',
author_email='atz.togo@gmail.com',
url='http://atztogo.github.io/spglib/',
packages=['spglib'],
requires=['numpy'],
provides=['spglib'],
platforms=['all'],
ext_modules=[extension],
test_suite='nose.collector',
tests_require=['nose'])
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