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Diffstat (limited to 'var/spack/repos/builtin/packages/molcas/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/molcas/package.py | 48 |
1 files changed, 48 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/molcas/package.py b/var/spack/repos/builtin/packages/molcas/package.py new file mode 100644 index 0000000000..7c4958cc94 --- /dev/null +++ b/var/spack/repos/builtin/packages/molcas/package.py @@ -0,0 +1,48 @@ +############################################################################## +# Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC. +# Produced at the Lawrence Livermore National Laboratory. +# +# 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 +############################################################################## +from spack import * +import os + + +class Molcas(CMakePackage): + """Molcas is an ab initio quantum chemistry software package + developed by scientists to be used by scientists. + Please set the path to licence file with the following command + export MOLCAS_LICENSE=/path/to/molcas/license/""" + + homepage = "http://www.molcas.org/" + url = "file://{0}/molcas8.2.tar.gz".format(os.getcwd()) + + version('8.2', '25b5fb8e1338b458a3eaea0b3d3b5e58') + + # Licensing + license_required = True + license_vars = ['MOLCAS_LICENSE'] + + depends_on('openmpi') + depends_on('openblas') + depends_on('hdf5') + + patch('install_driver.patch') |