43 lines
1.3 KiB
Python
43 lines
1.3 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 Shengbte(MakefilePackage):
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"""ShengBTE is a software package for solving the Boltzmann Transport
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Equation for phonons."""
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homepage = "https://www.shengbte.org"
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url = "https://www.shengbte.org/downloads/ShengBTE-v1.1.1-8a63749.tar.bz2"
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license("GPL-3.0-only")
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version(
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"1.1.1-8a63749", sha256="43920740d19ae854c8ecae0b648acfdf1d7726ca4c2b44f1a1684457f2f88522"
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)
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depends_on("mpi")
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depends_on("spglib")
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depends_on("mkl")
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parallel = False
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build_directory = "Src"
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def edit(self, spec, prefix):
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arch_make = join_path(self.build_directory, "arch.make")
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copy("arch.make.example", arch_make)
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filter_file("export FFLAGS=.*", "export FFLAGS=-debug -O2", arch_make)
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filter_file(
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"export LDFLAGS=.*", "export LDFLAGS=" + spec["spglib"].libs.ld_flags, arch_make
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)
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filter_file("export MPIFC=.*", "export MPIFC=%s" % spec["mpi"].mpifc, arch_make)
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filter_file("LAPACK=.*", "LAPACK=" + spec["mkl"].libs.ld_flags, arch_make)
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def install(self, spec, prefix):
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mkdirp(prefix.bin)
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install("ShengBTE", prefix.bin)
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