# 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 PyChemfiles(PythonPackage): """Python interface to chemfiles""" homepage = "http://chemfiles.org/chemfiles.py/latest/" pypi = "chemfiles/chemfiles-0.10.3.tar.gz" maintainers("RMeli") license("BSD-3-Clause") version("0.10.3", sha256="4bbb8b116492a57dbf6ddb4c84aad0133cd782e0cc0e53e4b957f2d93e6806ea") depends_on("chemfiles@0.10.3+shared", when="@0.10.3") depends_on("py-numpy", type=("build", "run")) depends_on("py-setuptools@44:", type="build") depends_on("py-wheel@0.36:", type="build") depends_on("py-cmake", type="build") depends_on("py-ninja", type="build")