#!/usr/bin/env python

import setuptools
import os

__version__ = '1.2.7'

# Find the absolute path
here = os.path.abspath(os.path.dirname(__file__))

# Get the long description from the README file
with open(os.path.join(here, 'README.rst')) as f:
    long_description = f.read()

short_description = 'Calculate root-mean-square deviation (RMSD), using Kabsch or Quaternion algorithm for rotation, between two Cartesian coordinates in .xyz or .pdb format, resulting in the minimal RMSD.'

setuptools.setup(name='rmsd',
      version=__version__,
      maintainer='Jimmy Kromann',
      maintainer_email='jimmy@charnley.dk',
      description=short_description,
      long_description=long_description,
      url='https://github.com/charnley/rmsd',
      license='BSD-2-Clause',
      install_requires=[
          'numpy',
          'scipy',
      ],
      packages=['rmsd'],
      entry_points={
          'console_scripts': ['calculate_rmsd=rmsd.calculate_rmsd:main']
      },
      classifiers=[
          "Development Status :: 5 - Production/Stable",
          "Environment :: Console",
          "Intended Audience :: End Users/Desktop",
          "License :: OSI Approved :: BSD License",
          "Programming Language :: Python :: 3",
          "Programming Language :: Python :: 2.7"
      ])


#!/usr/bin/env python

import setuptools
import os

__version__ = '1.2.7'

# Find the absolute path
here = os.path.abspath(os.path.dirname(__file__))

# Get the long description from the README file
with open(os.path.join(here, 'README.rst')) as f:
    long_description = f.read()

short_description = 'Calculate root-mean-square deviation (RMSD) between two sets of cartesian coordinates (XYZ or PDB format), using rotation (fx. Kabsch algorithm), atom reordering (fx. Hungarian algorithm), and axis reflections, resulting in the minimal RMSD.'

setuptools.setup(name='rmsd',
      version=__version__,
      maintainer='Jimmy Kromann',
      maintainer_email='jimmy@charnley.dk',
      description=short_description,
      long_description=long_description,
      url='https://github.com/charnley/rmsd',
      license='BSD-2-Clause',
      install_requires=[
          'numpy',
          'scipy',
      ],
      packages=['rmsd'],
      entry_points={
          'console_scripts': ['calculate_rmsd=rmsd.calculate_rmsd:main']
      },
      classifiers=[
          "Development Status :: 5 - Production/Stable",
          "Environment :: Console",
          "Intended Audience :: End Users/Desktop",
          "License :: OSI Approved :: BSD License",
          "Programming Language :: Python :: 3",
          "Programming Language :: Python :: 2.7"
      ])


update pip description