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# Copyright 2013-2024 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 Shengbte(MakefilePackage):
"""ShengBTE is a software package for solving the Boltzmann Transport
Equation for phonons."""
homepage = "www.shengbte.org"
url = "www.shengbte.org/downloads/ShengBTE-v1.1.1-8a63749.tar.bz2"
license("GPL-3.0-only")
version(
"1.1.1-8a63749", sha256="43920740d19ae854c8ecae0b648acfdf1d7726ca4c2b44f1a1684457f2f88522"
)
depends_on("mpi")
depends_on("spglib")
depends_on("mkl")
parallel = False
build_directory = "Src"
def edit(self, spec, prefix):
arch_make = join_path(self.build_directory, "arch.make")
copy("arch.make.example", arch_make)
filter_file("export FFLAGS=.*", "export FFLAGS=-debug -O2", arch_make)
filter_file(
"export LDFLAGS=.*", "export LDFLAGS=" + spec["spglib"].libs.ld_flags, arch_make
)
filter_file("export MPIFC=.*", "export MPIFC=%s" % spec["mpi"].mpifc, arch_make)
filter_file("LAPACK=.*", "LAPACK=" + spec["mkl"].libs.ld_flags, arch_make)
def install(self, spec, prefix):
mkdirp(prefix.bin)
install("ShengBTE", prefix.bin)
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