# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)

from spack import *


class PyAse(PythonPackage):
    """The Atomic Simulation Environment (ASE) is a set of tools
    and Python modules for setting up, manipulating, running,
    visualizing and analyzing atomistic simulations."""

    homepage = "https://wiki.fysik.dtu.dk/ase/"
    url      = "https://pypi.io/packages/source/a/ase/ase-3.13.0.tar.gz"

    version('3.18.0',
            sha256='39d45f12def2669605bffc82926acfb13a0d0610e6d82740fa316aafa70f97f9')
    version('3.15.0', sha256='5e22d961b1311ef4ba2d83527f7cc7448abac8cf9bddd1593bee548459263fe8')
    version('3.13.0', sha256='c4046c50debac28415b36616d79aa28e68ae2cd03c013c2aed6a1e3d465c0ee1')

    depends_on('python@2.6:', type=('build', 'run'), when='@:3.15.0')
    depends_on('python@3.5:', type=('build', 'run'), when='@3.18.0:')
    depends_on('py-numpy', type=('build', 'run'))
    depends_on('py-matplotlib', type=('build', 'run'))
    depends_on('py-scipy', type=('build', 'run'))
    depends_on('py-flask', type=('build', 'run'))
