diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/octopus/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/octopus/package.py | 38 |
1 files changed, 10 insertions, 28 deletions
diff --git a/var/spack/repos/builtin/packages/octopus/package.py b/var/spack/repos/builtin/packages/octopus/package.py index c450cf6020..315beb57b5 100644 --- a/var/spack/repos/builtin/packages/octopus/package.py +++ b/var/spack/repos/builtin/packages/octopus/package.py @@ -1,27 +1,8 @@ -############################################################################## -# Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC. -# Produced at the Lawrence Livermore National Laboratory. +# Copyright 2013-2018 Lawrence Livermore National Security, LLC and other +# Spack Project Developers. See the top-level COPYRIGHT file for details. # -# This file is part of Spack. -# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. -# LLNL-CODE-647188 -# -# For details, see https://github.com/spack/spack -# Please also see the NOTICE and LICENSE files for our notice and the LGPL. -# -# This program is free software; you can redistribute it and/or modify -# it under the terms of the GNU Lesser General Public License (as -# published by the Free Software Foundation) version 2.1, February 1999. -# -# This program is distributed in the hope that it will be useful, but -# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF -# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and -# conditions of the GNU Lesser General Public License for more details. -# -# You should have received a copy of the GNU Lesser General Public -# License along with this program; if not, write to the Free Software -# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA -############################################################################## +# SPDX-License-Identifier: (Apache-2.0 OR MIT) + from spack import * @@ -32,12 +13,13 @@ class Octopus(Package): homepage = "http://www.tddft.org/programs/octopus/" url = "http://www.tddft.org/programs/octopus/down.php?file=6.0/octopus-6.0.tar.gz" + version('7.3', '87e51fa4a3a999706ea4ea5e9136996f') version('6.0', '5d1168c2a8d7fd9cb9492eaebaa7182e') version('5.0.1', '2b6392ab67b843f9d4ca7413fc07e822') variant('scalapack', default=False, description='Compile with Scalapack') - variant('metis', default=True, + variant('metis', default=False, description='Compile with METIS') variant('parmetis', default=False, description='Compile with ParMETIS') @@ -47,11 +29,11 @@ class Octopus(Package): description='Compile with ARPACK') depends_on('blas') - depends_on('gsl') + depends_on('gsl@1.9:') depends_on('lapack') depends_on('libxc') depends_on('mpi') - depends_on('fftw+mpi') + depends_on('fftw@3:+mpi+openmp') depends_on('metis@5:', when='+metis') depends_on('parmetis', when='+parmetis') depends_on('scalapack', when='+scalapack') @@ -59,7 +41,7 @@ class Octopus(Package): depends_on('arpack-ng', when='+arpack') # optional dependencies: - # TODO: parmetis, etsf-io, sparskit, + # TODO: etsf-io, sparskit, # feast, libfm, pfft, isf, pnfft def install(self, spec, prefix): @@ -75,7 +57,7 @@ class Octopus(Package): 'CC=%s' % spec['mpi'].mpicc, 'FC=%s' % spec['mpi'].mpifc, '--enable-mpi', - '--with-fft-lib=-L%s -lfftw3' % spec['fftw'].prefix.lib, + '--with-fftw-prefix==%s' % spec['fftw'].prefix, ]) if '+metis' in spec: args.extend([ |