# Copyright 2013-2022 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/"
    pypi = "ase/ase-3.13.0.tar.gz"

    version('3.21.1', sha256='78b01d88529d5f604e76bc64be102d48f058ca50faad72ac740d717545711c7b')
    version('3.21.0', sha256='2c561e9b767cf16fc8ce198ea9326d77c6b67d33a85f44b68455e23466a64608')
    version('3.20.1', sha256='72c81f21b6adb907595fce8d883c0231301cbd8e9f6e5ce8e98bab927054daca')
    version('3.19.3', sha256='27c378b983dfacd49398236e7232c28590c218c31bb2205695818552c772bc4b')
    version('3.19.2', sha256='89446a3d194d90f0758f0c7248a5095a5a05a16f2a0f7d53db4d3103ca516e62')
    version('3.19.1', sha256='839029ed5ad9590b40c74773b9aef4733bfd9f8300cf998011584cad6ebdbf0f')
    version('3.19.0', sha256='a8378ab57e91cfe1ba09b3639d8409bb7fc1a40b59479c7822d206e673ad93f9')
    version('3.18.2', sha256='3930a561380dc3e4aa97f013933e68f858349abf9b4dbb0a035a4f2107b37ba4')
    version('3.18.1', sha256='e21948dbf79011cc796d772885a8aafb255a6f365d112fe6a3bd26198c6cac7f')
    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('python@3.6:', type=('build', 'run'), when='@3.20.0:')
    depends_on('py-numpy@1.11.3:', type=('build', 'run'))
    depends_on('py-matplotlib@2.0.0:', type=('build', 'run'))
    depends_on('py-scipy@0.18.1:', type=('build', 'run'))
    depends_on('py-flask', type=('build', 'run'), when='@:3.18.0')
    depends_on('py-setuptools', type='build')
