setup.py

#!/usr/bin/env python
"""
parse-fmt - A class to parse FMT files generated by CASTEP (densities,
potentials, etc.)
"""

# Python 2-to-3 compatibility code
from __future__ import absolute_import
from __future__ import division
from __future__ import print_function
# The next line is removed because it causes issues in interpreting
# the package_data line, unfortunately
# from __future__ import unicode_literals

from setuptools import setup, find_packages

long_description = """
parse-fmt is a small library meant to parse .fmt files, the default format
used by the ab-initio software CASTEP (http://www.castep.org/) to write out
volumetric data such as electronic densities. parse-fmt provides the class
FMTReader, which allows to read a .fmt file and stores its data, as well
as the grid it is defined on, as members."""

if __name__ == '__main__':
    setup(name='parse-fmt',
          version='0.5.2',
          description='A Python parser for CASTEP fmt files (densities, '
          'potentials etc.)',
          long_description=long_description,
          url='https://github.com/CCP-NC/parse-fmt',
          author='Simone Sturniolo',
          author_email='simone.sturniolo@stfc.ac.uk',
          license='MIT',
          license_files=('LICENSE',),
          classifiers=[
              # How mature is this project? Common values are
              #   3 - Alpha
              #   4 - Beta
              #   5 - Production/Stable
              'Development Status :: 4 - Beta',

              # Indicate who your project is intended for
              'Intended Audience :: Science/Research',
              'Topic :: Scientific/Engineering :: Chemistry',
              'Topic :: Scientific/Engineering :: Physics',

              # Pick your license as you wish (should match "license" above)
              'License :: OSI Approved :: MIT License',

              # Specify the Python versions you support here. In particular,
              # ensure that you indicate whether you support Python 2,
              # Python 3 or both.
              'Programming Language :: Python :: 2',
              'Programming Language :: Python :: 2.7',
              'Programming Language :: Python :: 3',
          ],
          keywords='crystallography ccpnc computational chemistry',
          packages=find_packages(),
          python_requires='>=2.7',
          install_requires=[
              'numpy',
          ],
          )