# Copyright 2013-2019 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 *
import os


class Megadock(MakefilePackage, CudaPackage):
    """an ultra-high-performance protein-protein docking for
       heterogeneous supercomputers"""

    homepage = "http://www.bi.cs.titech.ac.jp/megadock/"
    url      = "http://www.bi.cs.titech.ac.jp/megadock/archives/megadock-4.0.3.tgz"

    version('4.0.3', sha256='c1409a411555f4f7b4eeeda81caf622d8a28259a599ea1d2181069c55f257664')

    variant('mpi', description='Enable MPI', default=False)

    depends_on('fftw')
    depends_on('mpi', when='+mpi')

    def edit(self, spec, prefix):
        # point cuda samples relative to cuda installation
        filter_file('/opt/cuda/6.5/samples', '$(CUDA_INSTALL_PATH)/samples',
                    'Makefile', string=True)

        # need to link calcrg to compiler's math impl
        # libm seems to be present in most compilers
        mathlib = '-lm'

        # prefer libimf with intel
        if '%intel' in spec:
            mathlib = '-limf'

        filter_file('-o calcrg', '%s -o calcrg' % mathlib,
                    'Makefile', string=True)

        # makefile has a weird var for cuda_arch, use conditionally
        if '+cuda' in spec:
            arch = spec.variants['cuda_arch'].value
            archflag = ''

            if arch[0] != 'none':
                archflag = '-arch=%s' % arch[0]

            filter_file('-arch=$(SM_VERSIONS)', archflag,
                        'Makefile', string=True)

    @property
    def build_targets(self):
        spec = self.spec

        targets = [
            'USE_GPU=%s' % ('1' if '+cuda' in spec else '0'),
            'USE_MPI=%s' % ('1' if '+mpi' in spec else '0'),
            'OMPFLAG=%s' % self.compiler.openmp_flag,
            'CPPCOMPILER=c++',
            'FFTW_INSTALL_PATH=%s' % self.spec['fftw'].prefix,
        ]

        if '+cuda' in spec:
            targets.append('CUDA_INSTALL_PATH=%s' % self.spec['cuda'].prefix)

        if '+mpi' in spec:
            targets.append('MPICOMPILER=%s' % self.spec['mpi'].mpicxx)

        return targets

    def install(self, spec, prefix):
        mkdirp(prefix.bin)

        for suffix in ['', '-gpu', '-dp', '-gpu-dp']:
            fn = 'megadock' + suffix
            if os.path.isfile(fn):
                install(fn, prefix.bin)