#!/usr/bin/env python from distutils.core import * import os,sys,shutil 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. """ srcdir = os.path.dirname(__file__) obExtension = Extension('_openbabel', [os.path.join(srcdir, "openbabel-python.cpp")], include_dirs=[os.path.join(srcdir, "..", "..", "include"), os.path.join("..", "include")], library_dirs=[os.path.join("..", "lib")], libraries=['openbabel'] ) if "build" in sys.argv: shutil.copyfile(os.path.join(srcdir, "pybel_py%dx.py" % sys.version_info[0]), "pybel.py") shutil.copyfile(os.path.join(srcdir, "openbabel.py"), "openbabel.py") setup(name='openbabel', version='1.5', 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, )