35 lines
1.0 KiB
Python
35 lines
1.0 KiB
Python
# Copyright 2013-2023 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 AtomDft(MakefilePackage):
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"""ATOM is a program for DFT calculations in atoms and pseudopotential
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generation."""
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homepage = "https://departments.icmab.es/leem/siesta/Pseudopotentials/"
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url = "https://departments.icmab.es/leem/siesta/Pseudopotentials/Code/atom-4.2.6.tgz"
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version("4.2.6", sha256="489f0d883af35525647a8b8f691e7845c92fe6b5a25b13e1ed368edfd0391ed2")
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depends_on("libgridxc")
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depends_on("xmlf90")
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def edit(self, spec, prefix):
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copy("arch.make.sample", "arch.make")
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@property
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def build_targets(self):
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return [
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"XMLF90_ROOT=%s" % self.spec["xmlf90"].prefix,
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"GRIDXC_ROOT=%s" % self.spec["libgridxc"].prefix,
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"FC=fc",
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]
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def install(self, spec, prefix):
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mkdir(prefix.bin)
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install("atm", prefix.bin)
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