eea786f4e8
- remove the old LGPL license headers from all files in Spack - add SPDX headers to all files - core and most packages are (Apache-2.0 OR MIT) - a very small number of remaining packages are LGPL-2.1-only
68 lines
2.6 KiB
Python
68 lines
2.6 KiB
Python
# Copyright 2013-2018 Lawrence Livermore National Security, LLC and other
|
|
# Spack Project Developers. See the top-level COPYRIGHT file for details.
|
|
#
|
|
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
|
|
|
|
|
|
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/1.0.zip"
|
|
git = "https://github.com/ECP-copa/ExaMiniMD.git"
|
|
|
|
version('develop', branch='master')
|
|
version('1.0', '5db7679a4b9296c0cc3b2ff3a7e8f38f')
|
|
|
|
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.docs)
|
|
install('README.md', prefix.docs)
|
|
install('LICENSE', prefix.docs)
|