# 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)