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setup.py

#!/usr/bin/env python
"""cclib: parsers and algorithms for computational chemistry

cclib is a Python library that provides parsers for computational
chemistry log files. It also provides a platform to implement
algorithms in a package-independent manner.
"""

doclines = __doc__.split("\n")

# Chosen from http://www.python.org/pypi?:action=list_classifiers
classifiers = """\
Development Status :: 5 - Production/Stable
Environment :: Console
Intended Audience :: Science/Research
Intended Audience :: Developers
License :: OSI Approved :: GNU Library or Lesser General Public License (LGPL)
Natural Language :: English
Operating System :: OS Independent
Programming Language :: Python
Topic :: Scientific/Engineering :: Chemistry
Topic :: Software Development :: Libraries :: Python Modules
"""

programs = ['ADF', 'GAMESS', 'GAMESS-UK', 'Gaussian', 'Jaguar', 'Molpro', 'ORCA']

def setup_cclib():

    import os
    import sys

    # Import from setuptools only if requested.
    if 'egg' in sys.argv:
        sys.argv.pop(sys.argv.index('egg'))
        from setuptools import setup
    from distutils.core import setup

    # Setup the list of packages.
    cclib_packages = ['cclib',
                      'cclib.parser', 'cclib.progress', 'cclib.method', 'cclib.bridge',
                      'cclib.test']

    # Setup the list of data files.
    cclib_prefix = 'lib/python%i.%i/site-packages/cclib' %(sys.version_info[0], sys.version_info[1])
    test_prefix = cclib_prefix + '/test'
    data_prefix = cclib_prefix + '/data'
    cclib_datafiles = [ (cclib_prefix, ['ANNOUNCE', 'CHANGELOG', 'INSTALL', 'LICENSE', 'README', 'THANKS']),
                        (test_prefix, ['test/testdata']),
                        (data_prefix, ['data/regressionfiles.txt', 'data/wget.sh'])]
    for program in programs:
        data_dirs = os.listdir('data/%s' %program)
        for data_dir in data_dirs:
            if data_dir[:5] == 'basic':
                dest = '%s/%s/%s' %(data_prefix, program, data_dir)
                path = 'data/%s/%s' %(program, data_dir)
                newfiles = ['%s/%s' %(path,fname) for fname in os.listdir(path) if fname[0] != '.']
                cclib_datafiles.append((dest, newfiles))

    setup(
        name = "cclib",
        version = "1.0.1",
        url = "http://cclib.sf.net",
        author = "cclib development team",
        author_email = "cclib-users@lists.sourceforge.net",
        maintainer = "cclib development team",
        maintainer_email = "cclib development team",
        license = "LGPL",
        description = doclines[0],
        long_description = "\n".join(doclines[2:]),      
        classifiers = filter(None, classifiers.split("\n")),
        platforms = ["Any."],
        scripts = ["src/scripts/ccget", "src/scripts/cda"],
        package_dir = {'cclib':'src/cclib', 'cclib.test':'test'},
        packages = cclib_packages,
        data_files = cclib_datafiles )

if __name__ == '__main__':
    setup_cclib()

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