From 3f14212dede2444fdbb85065d9b5f55f73b210e4 Mon Sep 17 00:00:00 2001 From: Denis Davydov Date: Wed, 4 Apr 2018 16:35:03 +0200 Subject: [PATCH] octopus: add 7.3 (#7666) --- var/spack/repos/builtin/packages/octopus/package.py | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/var/spack/repos/builtin/packages/octopus/package.py b/var/spack/repos/builtin/packages/octopus/package.py index a3d4a30ffa..bca0900399 100644 --- a/var/spack/repos/builtin/packages/octopus/package.py +++ b/var/spack/repos/builtin/packages/octopus/package.py @@ -32,12 +32,13 @@ 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 +48,11 @@ 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 +60,7 @@ 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 +76,7 @@ def install(self, spec, prefix): '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([