Chimie Théorique » QMX

#!/usr/bin/env python

# Copyright (C) 2007  CAMP

# Please see the accompanying LICENSE file for further information.

from distutils.core import setup

from glob import glob

from os.path import join

import os

import sys

long_description = """\

ASE is a python package providing an open source Atomic Simulation

Environment in the python scripting language."""

if sys.version_info < (2, 3, 0, 'final', 0):

    raise SystemExit, 'Python 2.3 or later is required!'

packages = ['ase',

            'ase.io',

            'ase.md',

            'ase.dft',

            'ase.gui',

            'ase.gui.languages',

            'ase.data',

            'ase.test',

            'ase.utils',

            'ase.lattice',

            'ase.lattice.spacegroup',

            'ase.examples',

            'ase.optimize',

            'ase.optimize.test',

            'ase.visualize',

            'ase.visualize.vtk',

            'ase.transport',

            'ase.calculators',

            'ase.calculators.jacapo']

package_dir={'ase': 'ase'}

package_data={'ase': ['lattice/spacegroup/spacegroup.dat']}

# Get the current version number:

execfile('ase/svnversion_io.py')  # write ase/svnversion.py and get svnversion

execfile('ase/version.py')        # get version_base

if svnversion:

    version = version_base + '.' + svnversion

else:

    version = version_base

setup(name = 'python-ase',

      version=version,

      description='Atomic Simulation Environment',

      url='https://wiki.fysik.dtu.dk/ase',

      maintainer='CAMd',

      maintainer_email='camd@fysik.dtu.dk',

      license='LGPLv2.1+',

      platforms=['linux'],

      packages=packages,

      package_dir=package_dir,

      package_data=package_data,

      scripts=['tools/ag', 'tools/ASE2ase.py', 'tools/testase.py'],

      long_description=long_description)