openbabel/scripts/python/setup.py

#!/usr/bin/env python
from setuptools import setup, Extension
import os,sys,shutil
import subprocess
import sys

about = """The Open Babel package provides a Python wrapper
to the Open Babel C++ chemistry library. Open Babel is a chemical
toolbox designed to speak the many languages of chemical data. It's an
open, collaborative project allowing anyone to search, convert,
analyze, or store data from molecular modeling, chemistry, solid-state
materials, biochemistry, or related areas. It provides a broad base of
chemical functionality for custom development.
"""
version = "1.8"
try:
    subprocess.check_output("pkg-config --exists openbabel-2.0".split())
except:
    print ("pkg-config could not find an openbabel instal. Please install openbabel and rerun setup.py.")
    sys.exit(1)


babel_version = subprocess.Popen("pkg-config --modversion openbabel-2.0".split(), 
    stdout=subprocess.PIPE).stdout.readline().decode("utf-8")

include_dirs = subprocess.Popen("pkg-config --variable=pkgincludedir openbabel-2.0".split(), 
    stdout=subprocess.PIPE).stdout.readline().decode("utf-8").split()

lib_dirs = subprocess.Popen("pkg-config --variable=libdir openbabel-2.0".split(), 
    stdout=subprocess.PIPE).stdout.readline().decode("utf-8").split()

#Code should be added here to ensure these directories exist, and that this version of babel is compatible
#with this python package. 

swig_opts = ["-c++", "-small", "-O", "-templatereduce", "-naturalvar"]
swig_opts += ["-I%s" % i for i in include_dirs]

obExtension = Extension('_openbabel',
                 ["openbabel-python.i"],
                 include_dirs=include_dirs,
                 library_dirs=lib_dirs,
		         swig_opts=swig_opts,
                 libraries=["openbabel"]
                 )

setup(name='openbabel',
      zip_safe=True,
      version=version,
      author='Noel O\'Boyle',
      author_email='openbabel-scripting@lists.sourceforge.net',
      url='http://openbabel.org/',
      license='http://www.gnu.org/copyleft/gpl.html',
      py_modules=['openbabel','pybel'],
      ext_modules=[obExtension],
      description = 'openbabel: Python interface to the Open Babel chemistry library',
      classifiers=[
      'Development Status :: 5 - Production/Stable',
      'Environment :: Console',
      'Environment :: Other Environment',
      'Intended Audience :: Education',
      'Intended Audience :: Science/Research',
      'License :: OSI Approved :: GNU General Public License (GPL)',
      'Natural Language :: English',
      'Operating System :: MacOS :: MacOS X',
      'Operating System :: Microsoft :: Windows',
      'Operating System :: OS Independent',
      'Operating System :: POSIX',
      'Operating System :: POSIX :: Linux',
      'Operating System :: Unix',
      'Programming Language :: C++',
      'Programming Language :: Python',
      'Topic :: Scientific/Engineering :: Bio-Informatics',
      'Topic :: Scientific/Engineering :: Chemistry',
      'Topic :: Software Development :: Libraries',
      ],
      long_description = about,
      )