path: root/var/spack/repos/builtin/packages/shengbte/package.py

# Copyright 2013-2020 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 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"

    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)