41 lines
1.9 KiB
Python
41 lines
1.9 KiB
Python
# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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from spack import *
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class KimApi(CMakePackage):
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"""OpenKIM is an online framework for making molecular simulations
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reliable, reproducible, and portable. Computer implementations of
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inter-atomic models are archived in OpenKIM, verified for coding
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integrity, and tested by computing their predictions for a variety
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of material properties. Models conforming to the KIM application
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programming interface (API) work seamlessly with major simulation
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codes that have adopted the KIM API standard.
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This package provides the kim-api library and supporting
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utilities. It also provides a small set of example models.
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To obtain all models archived at https://openkim.org that are
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compatible with the kim-api package, install and activate the
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openkim-models package too.
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"""
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extendable = True
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homepage = "https://openkim.org/"
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url = "https://s3.openkim.org/kim-api/kim-api-2.1.3.txz"
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git = "https://github.com/openkim/kim-api.git"
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maintainers = ['ellio167']
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version('develop', branch='devel')
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version('2.1.3', sha256="88a5416006c65a2940d82fad49de0885aead05bfa8b59f87d287db5516b9c467")
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version('2.1.2', sha256="16c7dd362cf95288b6288e1a76caf8baef652eb2cf8af500a5eb4767ba2fe80c")
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version('2.1.1', sha256="25c4e83c6caa83a1c4ad480b430f1926fb44813b64f548fdaedc45e310b5f6b9")
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version('2.1.0', sha256="d6b154b31b288ec0a5643db176950ed71f1ca83a146af210a1d5d01cce8ce958")
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version('2.0.2', sha256="26e7cf91066692f316b8ba1548ccb7152bf56aad75902bce2338cff53e74e63d")
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# The Fujitsu compiler requires the '--linkfortran'
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# option to combine C++ and Fortran programs.
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patch('fujitsu_add_link_flags.patch', when='%fj')
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