spack/var/spack/repos/builtin/packages/nekcem/package.py

# 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
import json


class Nekcem(Package):
    """Spectral-element solver for Maxwell's equations, drift-diffusion
       equations, and more."""

    # Links to homepage and git
    homepage = "https://nekcem.mcs.anl.gov"
    git      = "https://github.com/NekCEM/NekCEM.git"

    # Variants
    variant('mpi', default=True, description='Build with MPI')

    # We only have a development version
    version('develop')
    version('0b8bedd', commit='0b8beddfdcca646bfcc866dfda1c5f893338399b')
    version('7332619', commit='7332619b73d03868a256614b61794dce2d95b360')

    # dependencies
    depends_on('mpi', when='+mpi')
    depends_on('blas')
    depends_on('lapack')
    depends_on('python@2.7:', type='build')

    @run_before('install')
    def fortran_check(self):
        if not self.compiler.fc:
            msg = 'NekCEM can not be built without a Fortran compiler.'
            raise RuntimeError(msg)

    @run_after('install')
    def test_install(self):
        nekcem_test = join_path(self.prefix.bin, 'NekCEM', 'tests', '2dboxpec')
        with working_dir(nekcem_test):
            makenek = Executable(join_path(self.prefix.bin, 'makenek'))
            makenek(os.path.basename(nekcem_test))
            if not os.path.isfile('nekcem'):
                msg = 'Cannot build example: %s' % nekcem_test
                raise RuntimeError(msg)

    def install(self, spec, prefix):
        bin_dir = 'bin'
        nek = 'nek'
        configurenek = 'configurenek'
        makenek = 'makenek'

        fc = self.compiler.f77
        cc = self.compiler.cc

        fflags = spec.compiler_flags['fflags']
        cflags = spec.compiler_flags['cflags']
        ldflags = spec.compiler_flags['ldflags']

        if '+mpi' in spec:
            fc = spec['mpi'].mpif77
            cc = spec['mpi'].mpicc

        with working_dir(bin_dir):
            fflags = ['-O3'] + fflags
            cflags = ['-O3'] + cflags
            fflags += ['-I.']
            cflags += ['-I.', '-DGLOBAL_LONG_LONG']

            if self.compiler.name == 'gcc' or self.compiler.name == 'clang':
                # assuming 'clang' uses 'gfortran'
                fflags += ['-fdefault-real-8', '-fdefault-double-8']
                cflags += ['-DUNDERSCORE']
            elif self.compiler.name == 'intel':
                fflags += ['-r8']
                cflags += ['-DUNDERSCORE']
            elif self.compiler.name == 'xl' or self.compiler.name == 'xl_r':
                fflags += ['-qrealsize=8']
                cflags += ['-DPREFIX=jl_', '-DIBM']
            elif self.compiler.name == 'pgi':
                fflags += ['-r8']
                cflags += ['-DUNDERSCORE']

            error = Executable(fc)('empty.f', output=str, error=str,
                                   fail_on_error=False)

            if 'gfortran' in error or 'GNU' in error or 'gfortran' in fc:
                # Use '-std=legacy' to suppress an error that used to be a
                # warning in previous versions of gfortran.
                fflags += ['-std=legacy']

            if '+mpi' in spec:
                fflags += ['-DMPI', '-DMPIIO']
                cflags += ['-DMPI', '-DMPIIO']
            blas_lapack = spec['lapack'].libs + spec['blas'].libs
            pthread_lib = find_system_libraries('libpthread')
            ldflags += (blas_lapack + pthread_lib).ld_flags.split()
            all_arch = {
                'spack-arch': {
                    'FC': fc, 'FFLAGS': fflags,
                    'CC': cc, 'CFLAGS': cflags,
                    'LD': fc, 'LDFLAGS': ldflags
                }
            }
            os.rename('arch.json', 'arch.json.orig')
            with open('arch.json', 'w') as file:
                file.write(json.dumps(all_arch))
            filter_file(r'^ARCH=.*$', 'ARCH=spack-arch', 'makenek')
            filter_file(r'^NEK=.*', 'NEK="%s"' % prefix.bin.NekCEM,
                        'makenek')

        # Install NekCEM in prefix/bin
        install_tree('../NekCEM', prefix.bin.NekCEM)
        # Create symlinks to makenek, nek and configurenek scripts
        with working_dir(prefix.bin):
            os.symlink(os.path.join('NekCEM', bin_dir, makenek), makenek)
            os.symlink(
                os.path.join('NekCEM', bin_dir, configurenek), configurenek)
            os.symlink(os.path.join('NekCEM', bin_dir, nek), nek)