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octopus: add 7.3 (#7666)

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Denis Davydov 2018-04-04 16:35:03 +02:00 committed by Massimiliano Culpo
parent 79251dde40
commit 3f14212ded
1 changed files with 6 additions and 5 deletions
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11
var/spack/repos/builtin/packages/octopus/package.py
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@ -32,12 +32,13 @@ class Octopus(Package):
homepage = "http://www.tddft.org/programs/octopus/" homepage = "http://www.tddft.org/programs/octopus/"
url = "http://www.tddft.org/programs/octopus/down.php?file=6.0/octopus-6.0.tar.gz" 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('6.0', '5d1168c2a8d7fd9cb9492eaebaa7182e')
version('5.0.1', '2b6392ab67b843f9d4ca7413fc07e822') version('5.0.1', '2b6392ab67b843f9d4ca7413fc07e822')
variant('scalapack', default=False, variant('scalapack', default=False,
description='Compile with Scalapack') description='Compile with Scalapack')
variant('metis', default=True, variant('metis', default=False,
description='Compile with METIS') description='Compile with METIS')
variant('parmetis', default=False, variant('parmetis', default=False,
description='Compile with ParMETIS') description='Compile with ParMETIS')
@ -47,11 +48,11 @@ class Octopus(Package):
description='Compile with ARPACK') description='Compile with ARPACK')
depends_on('blas') depends_on('blas')
depends_on('gsl') depends_on('gsl@1.9:')
depends_on('lapack') depends_on('lapack')
depends_on('libxc') depends_on('libxc')
depends_on('mpi') depends_on('mpi')
depends_on('fftw+mpi') depends_on('fftw@3:+mpi+openmp')
depends_on('metis@5:', when='+metis') depends_on('metis@5:', when='+metis')
depends_on('parmetis', when='+parmetis') depends_on('parmetis', when='+parmetis')
depends_on('scalapack', when='+scalapack') depends_on('scalapack', when='+scalapack')
@ -59,7 +60,7 @@ class Octopus(Package):
depends_on('arpack-ng', when='+arpack') depends_on('arpack-ng', when='+arpack')
# optional dependencies: # optional dependencies:
# TODO: parmetis, etsf-io, sparskit, # TODO: etsf-io, sparskit,
# feast, libfm, pfft, isf, pnfft # feast, libfm, pfft, isf, pnfft
def install(self, spec, prefix): def install(self, spec, prefix):
@ -75,7 +76,7 @@ def install(self, spec, prefix):
'CC=%s' % spec['mpi'].mpicc, 'CC=%s' % spec['mpi'].mpicc,
'FC=%s' % spec['mpi'].mpifc, 'FC=%s' % spec['mpi'].mpifc,
'--enable-mpi', '--enable-mpi',
'--with-fft-lib=-L%s -lfftw3' % spec['fftw'].prefix.lib, '--with-fftw-prefix==%s' % spec['fftw'].prefix,
]) ])
if '+metis' in spec: if '+metis' in spec:
args.extend([ args.extend([