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| -rw-r--r-- | var/spack/repos/builtin/packages/examinimd/package.py | 85 |
1 files changed, 85 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/examinimd/package.py b/var/spack/repos/builtin/packages/examinimd/package.py new file mode 100644 index 0000000000..39fc853d11 --- /dev/null +++ b/var/spack/repos/builtin/packages/examinimd/package.py @@ -0,0 +1,85 @@ +############################################################################## +# Copyright (c) 2018, Los Alamos National Security, LLC +# Produced at the Los Alamos 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 * + + +class Examinimd(MakefilePackage): + """ExaMiniMD is a proxy application and research vehicle for particle codes, + in particular Molecular Dynamics (MD). Compared to previous MD proxy apps + (MiniMD, COMD), its design is significantly more modular in order to allow + independent investigation of different aspects. To achieve that the main + components such as force calculation, communication, neighbor list + construction and binning are derived classes whose main functionality is + accessed via virtual functions. This allows a developer to write a new + derived class and drop it into the code without touching much of the + rest of the application.""" + + tags = ['proxy-app', 'ecp-proxy-app'] + + homepage = "https://github.com/ECP-copa/ExaMiniMD" + url = "https://github.com/ECP-copa/ExaMiniMD/archive/master.zip" + + version('develop', git='https://github.com/ECP-copa/ExaMiniMD', branch='master') + # TODO: Add proper tagged release when available + + variant('mpi', default=True, description='Build with MPI support') + variant('openmp', default=False, description='Build with OpenMP support') + variant('pthreads', default=False, description='Build with POSIX Threads support') + # TODO: Set up cuda variant when test machine available + + conflicts('+openmp', when='+pthreads') + + depends_on('kokkos') + depends_on('mpi', when='+mpi') + + @property + def build_targets(self): + targets = [] + # Append Kokkos + targets.append('KOKKOS_PATH={0}'.format(self.spec['kokkos'].prefix)) + # Set kokkos device + if 'openmp' in self.spec: + targets.append('KOKKOS_DEVICES=OpenMP') + elif 'pthreads' in self.spec: + targets.append('KOKKOS_DEVICES=Pthread') + else: + targets.append('KOKKOS_DEVICES=Serial') + # Set MPI as needed + if '+mpi' in self.spec: + targets.append('MPI=1') + targets.append('CXX = {0}'.format(self.spec['mpi'].mpicxx)) + else: + targets.append('MPI=0') + targets.append('CXX = {0}'.format('spack_cxx')) + return targets + + def install(self, spec, prefix): + mkdirp(prefix.bin) + install('src/ExaMiniMD', prefix.bin) + install_tree('input', prefix.input) + mkdirp(prefix.doc) + install('README.md', prefix.doc) + install('LICENSE.md', prefix.doc) |