# 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 GamessRiMp2Miniapp(MakefilePackage):
    """The GAMESS RI-MP2 mini-app computes the correlation energy with the
       Hartree-Fock energy and wave-function given as inputs. The inputs
       were generated from GAMESS."""

    tags = ['proxy-app']

    homepage = "https://github.com/jkwack/GAMESS_RI-MP2_MiniApp"
    url      = "https://github.com/jkwack/GAMESS_RI-MP2_MiniApp/archive/1.5.tar.gz"

    version('1.5', sha256='0ff4e8e556caa99ce1ab85c53e78932a32d2e2fa3c5d883fa321d5000f8a731e')

    depends_on('mpi')
    depends_on('lapack')

    build_directory = 'build_and_run'

    @property
    def build_targets(self):
        targets = [
            'rimp2-serial',
            'SDIR=../source',
            'FFLAGS_SERIAL=-cpp ' + self.compiler.openmp_flag,
            'LDFLAGS_ESSL={0}'.format(self.spec['lapack'].libs.ld_flags)
        ]

        return targets

    def edit(self, spec, prefix):
        with working_dir('build_and_run'):
            copy('Makefile_OLCF', 'Makefile')

    def install(self, spec, prefix):
        mkdirp(prefix.bin)
        with working_dir('build_and_run'):
            install('rimp2-serial', prefix.bin)
