69 lines
2.3 KiB
Python
69 lines
2.3 KiB
Python
# Copyright 2013-2024 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.package import *
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class OpenkimModels(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 all models archived at openkim.org that are
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compatible with the kim-api package.
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"""
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homepage = "https://openkim.org/"
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url = "https://s3.openkim.org/archives/collection/openkim-models-2021-01-28.txz"
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maintainers("ellio167")
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extends("kim-api")
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depends_on("kim-api@2.2.1:", when="@2021-01-28:")
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depends_on("kim-api@2.1.0:", when="@2019-07-25:")
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depends_on("kim-api@:2.0.2", when="@:2019-03-29")
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license("CDDL-1.0")
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version(
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"2021-01-28", sha256="8824adee02ae4583bd378cc81140fbb49515c5965708ee98d856d122d48dd95f"
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)
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version(
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"2019-07-25", sha256="50338084ece92ec0fb13b0bbdf357b5d7450e26068ba501f23c315f814befc26"
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)
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version(
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"2019-03-29", sha256="053dda2023fe4bb6d7c1d66530c758c4e633bbf1f1be17b6b075b276fe8874f6"
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)
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def cmake_args(self):
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args = []
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args.append(
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("-DKIM_API_MODEL_DRIVER_INSTALL_PREFIX={0}" + "/lib/kim-api/model-drivers").format(
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prefix
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)
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)
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if self.spec.satisfies("@2019-07-25:"):
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args.append(
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(
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"-DKIM_API_PORTABLE_MODEL_INSTALL_PREFIX={0}" + "/lib/kim-api/portable-models"
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).format(prefix)
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)
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else:
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args.append(
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("-DKIM_API_MODEL_INSTALL_PREFIX={0}" + "/lib/kim-api/models").format(prefix)
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)
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args.append(
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(
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"-DKIM_API_SIMULATOR_MODEL_INSTALL_PREFIX={0}" + "/lib/kim-api/simulator-models"
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).format(prefix)
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)
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return args
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