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# 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.package import *
class PyPymatgen(PythonPackage):
"""Python Materials Genomics is a robust materials analysis code that
defines core object representations for structures and molecules with
support for many electronic structure codes. It is currently the core
analysis code powering the Materials Project."""
homepage = "http://www.pymatgen.org/"
pypi = "pymatgen/pymatgen-4.7.2.tar.gz"
version('2021.3.9', sha256='a6f22d69133a48b7801bfd5e6a2878b47b4b4b2ef1a377b87c6c573be14cbf16')
version('4.7.2', sha256='e439b78cc3833a03963c3c3efe349d8a0e52a1550c8a05c56a89aa1b86657436')
version('4.6.2', sha256='f34349090c6f604f7d402cb09cd486830b38523639d7160d7fd282d504036a0e')
# Old versions come pre-cythonized and so don't support newer python versions
# and 2021.1.1 and newer require Python >= 3.7
extends('python@:3.6', ignore='bin/tabulate', when='@:4.7.2')
extends('python@3.7:', ignore='bin/tabulate', when='@2021.1.1:')
depends_on('py-setuptools@18.0:', type='build')
depends_on('py-numpy@1.9:', type=('build', 'run'))
depends_on('py-six', type=('build', 'run'), when='@:4.7.2')
depends_on('py-requests', type=('build', 'run'))
depends_on('py-pyyaml@3.11:', type=('build', 'run'), when='@:4.7.2')
depends_on('py-monty@0.9.6:', type=('build', 'run'))
depends_on('py-scipy@0.14:', type=('build', 'run'))
depends_on('py-pydispatcher@2.0.5:', type=('build', 'run'), when='@:4.7.2')
depends_on('py-tabulate', type=('build', 'run'))
depends_on('py-spglib@1.9.8.7:', type=('build', 'run'))
depends_on('py-matplotlib@1.5:', type=('build', 'run'))
depends_on('py-palettable@2.1.1:', type=('build', 'run'))
# dependencies of never versions
depends_on('py-matplotlib@1.5:', when='@2021.1.1:', type=('build', 'run'))
depends_on('py-monty@3.0.2:', when='@2021.1.1:', type=('build', 'run'))
depends_on('py-numpy@1.20.1:', when='@2021.1.1:', type=('build', 'run'))
depends_on('py-palettable@3.1.1:', when='@2021.1.1:', type=('build', 'run'))
depends_on('py-pandas', when='@2021.1.1:', type=('build', 'run'))
depends_on('py-plotly@4.5.0:', when='@2021.1.1:', type=('build', 'run'))
depends_on('py-ruamel-yaml@0.15.6:', when='@2021.1.1:', type=('build', 'run'))
depends_on('py-scipy@1.5.0:', when='@2021.1.1:', type=('build', 'run'))
depends_on('py-spglib@1.9.9.44:', when='@2021.1.1:', type=('build', 'run'))
depends_on('py-sympy', when='@2021.1.1:', type=('build', 'run'))
depends_on('py-uncertainties@3.1.4:', when='@2021.1.1:', type=('build', 'run'))
depends_on('py-networkx@2.2:', when='@2021.1.1:', type=('build', 'run'))
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