diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/octopus/package.py | 29 |
1 files changed, 26 insertions, 3 deletions
diff --git a/var/spack/repos/builtin/packages/octopus/package.py b/var/spack/repos/builtin/packages/octopus/package.py index bed1c1a256..b4cac8fbd5 100644 --- a/var/spack/repos/builtin/packages/octopus/package.py +++ b/var/spack/repos/builtin/packages/octopus/package.py @@ -4,6 +4,7 @@ # SPDX-License-Identifier: (Apache-2.0 OR MIT) from spack import * +import llnl.util.tty as tty class Octopus(Package): @@ -13,6 +14,7 @@ class Octopus(Package): homepage = "https://octopus-code.org/" url = "http://octopus-code.org/down.php?file=6.0/octopus-6.0.tar.gz" + version('10.0', sha256='ccf62200e3f37911bfff6d127ebe74220996e9c09383a10b1420c81d931dcf23') version('7.3', sha256='ad843d49d4beeed63e8b9a2ca6bfb2f4c5a421f13a4f66dc7b02f6d6a5c4d742') version('6.0', sha256='4a802ee86c1e06846aa7fa317bd2216c6170871632c9e03d020d7970a08a8198') version('5.0.1', sha256='3423049729e03f25512b1b315d9d62691cd0a6bd2722c7373a61d51bfbee14e0') @@ -31,9 +33,13 @@ class Octopus(Package): depends_on('blas') depends_on('gsl@1.9:') depends_on('lapack') - depends_on('libxc') + depends_on('libxc@2:2.99', when='@:5.99') + depends_on('libxc@2:3.99', when='@6:7.99') + depends_on('libxc@2:4.99', when='@8:9.99') + depends_on('libxc@3:5.0.0', when='@10.0') depends_on('mpi') - depends_on('fftw@3:+mpi+openmp') + depends_on('fftw@3:+mpi+openmp', when='@:9.99') + depends_on('fftw-api@3:', when='@10.0:') depends_on('metis@5:', when='+metis') depends_on('parmetis', when='+parmetis') depends_on('scalapack', when='+scalapack') @@ -57,8 +63,25 @@ class Octopus(Package): 'CC=%s' % spec['mpi'].mpicc, 'FC=%s' % spec['mpi'].mpifc, '--enable-mpi', - '--with-fftw-prefix==%s' % spec['fftw'].prefix, ]) + if '^fftw' in spec: + args.extend([ + '--with-fftw-prefix=%s' % spec['fftw'].prefix, + ]) + elif '^mkl' in spec: + # As of version 10.0, Octopus depends on fftw-api instead + # of FFTW. If FFTW is not in the dependency tree, then + # it ought to be MKL as it is currently the only providers + # available for fftw-api. + args.extend([ + 'FCFLAGS_FFTW=-I%s' % spec['mkl'].prefix.include.fftw + ]) + else: + # To be foolproof, fail with a proper error message + # if neither FFTW nor MKL are in the dependency tree. + tty.die('Unsupported "fftw-api" provider, ' + 'currently only FFTW and MKL are supported.\n' + "Please report this issue on Spack's repository.") if '+metis' in spec: args.extend([ '--with-metis-prefix=%s' % spec['metis'].prefix, |