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# Copyright 2013-2023 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 PyRobocrys(PythonPackage):
"""Robocrystallographer is a tool to generate text descriptions of crystal
structures. Similar to how a real-life crystallographer would analyse a
structure, robocrystallographer looks at the symmetry, local environment, and
extended connectivity when generating a description. The package includes
utilities for identifying molecule names, component orientations, heterostructure
information, and more."""
homepage = "https://github.com/hackingmaterials/robocrystallographer"
pypi = "robocrys/robocrys-0.2.7.tar.gz"
maintainers("meyersbs")
version("0.2.7", sha256="c8155bbc13efbf66ce0a834ebd0eaba9102f2c405a9cbaac071aa230d81ee5f6")
depends_on("py-setuptools", type="build")
depends_on("python@3.7:", type=("build", "run"))
depends_on("py-spglib", type=("build", "run"))
depends_on("py-numpy", type=("build", "run"))
depends_on("py-scipy", type=("build", "run"))
depends_on("py-inflect", type=("build", "run"))
depends_on("py-networkx", type=("build", "run"))
depends_on("py-matminer", type=("build", "run"))
depends_on("py-monty", type=("build", "run"))
depends_on("py-pubchempy", type=("build", "run"))
depends_on("py-pybtex", type=("build", "run"))
depends_on("py-ruamel-yaml", type=("build", "run"))
depends_on("py-pymatgen@2020.10.20:", type=("build", "run"))
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