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lammps: fix build with kokkos (#16390)

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Christoph Junghans 2020-04-30 10:29:08 -06:00 committed by GitHub
parent 6c24142ebd
commit cfb307b8e7
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GPG Key ID: 4AEE18F83AFDEB23
2 changed files with 16 additions and 10 deletions
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4
var/spack/repos/builtin/packages/kokkos/package.py
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@ -172,6 +172,8 @@ class Kokkos(CMakePackage, CudaPackage):
conflicts("+cuda", when="std=17") conflicts("+cuda", when="std=17")
conflicts("+cuda", when="std=20") conflicts("+cuda", when="std=20")
variant('shared', default=True, description='Build shared libraries')
def append_args(self, cmake_prefix, cmake_options, spack_options): def append_args(self, cmake_prefix, cmake_options, spack_options):
for opt in cmake_options: for opt in cmake_options:
enablestr = "+%s" % opt enablestr = "+%s" % opt
@ -242,4 +244,6 @@ def cmake_args(self):
options.append("-DKokkos_CXX_STANDARD=%s" % options.append("-DKokkos_CXX_STANDARD=%s" %
self.spec.variants["std"].value) self.spec.variants["std"].value)
options.append('-DBUILD_SHARED_LIBS=%s' % ('+shared' in self.spec))
return options return options

22
var/spack/repos/builtin/packages/lammps/package.py
View File

@ -55,12 +55,13 @@ def url_for_version(self, version):
vdate.strftime("%d%b%Y").lstrip('0')) vdate.strftime("%d%b%Y").lstrip('0'))
supported_packages = ['asphere', 'body', 'class2', 'colloid', 'compress', supported_packages = ['asphere', 'body', 'class2', 'colloid', 'compress',
'coreshell', 'dipole', 'granular', 'kspace', 'latte', 'coreshell', 'dipole', 'granular', 'kspace',
'manybody', 'mc', 'meam', 'misc', 'molecule', 'kokkos', 'latte', 'manybody', 'mc', 'meam', 'misc',
'mpiio', 'peri', 'poems', 'python', 'qeq', 'molecule', 'mpiio', 'peri', 'poems', 'python',
'replica', 'rigid', 'shock', 'snap', 'spin', 'srd', 'qeq', 'replica', 'rigid', 'shock', 'snap', 'spin',
'user-atc', 'user-h5md', 'user-lb', 'user-misc', 'srd', 'user-atc', 'user-h5md', 'user-lb',
'user-netcdf', 'user-omp', 'user-reaxc', 'voronoi'] 'user-misc', 'user-netcdf', 'user-omp', 'user-reaxc',
'voronoi']
for pkg in supported_packages: for pkg in supported_packages:
variant(pkg, default=False, variant(pkg, default=False,
@ -69,8 +70,6 @@ def url_for_version(self, version):
description='Build the liblammps in addition to the executable') description='Build the liblammps in addition to the executable')
variant('mpi', default=True, variant('mpi', default=True,
description='Build with mpi') description='Build with mpi')
variant('kokkos', default=False,
description='Build with Kokkos accelerated styles')
variant('jpeg', default=True, variant('jpeg', default=True,
description='Build with jpeg support') description='Build with jpeg support')
variant('png', default=True, variant('png', default=True,
@ -106,7 +105,7 @@ def url_for_version(self, version):
depends_on('jpeg', when='+jpeg') depends_on('jpeg', when='+jpeg')
depends_on('libpng', when='+png') depends_on('libpng', when='+png')
depends_on('ffmpeg', when='+ffmpeg') depends_on('ffmpeg', when='+ffmpeg')
depends_on('kokkos-legacy', when='+kokkos') depends_on('kokkos+deprecated_code+shared@3.0', when='@20200303+kokkos')
conflicts('+cuda', when='+opencl') conflicts('+cuda', when='+opencl')
conflicts('+body', when='+poems@:20180628') conflicts('+body', when='+poems@:20180628')
@ -117,7 +116,8 @@ def url_for_version(self, version):
conflicts('+user-misc', when='~manybody') conflicts('+user-misc', when='~manybody')
conflicts('+user-phonon', when='~kspace') conflicts('+user-phonon', when='~kspace')
conflicts('+user-misc', when='~manybody') conflicts('+user-misc', when='~manybody')
conflicts('%gcc@9:', when='+openmp') conflicts('%gcc@9:', when='@:20200303+openmp')
conflicts('+kokkos', when='@:20200227')
patch("lib.patch", when="@20170901") patch("lib.patch", when="@20170901")
patch("660.patch", when="@20170922") patch("660.patch", when="@20170922")
@ -176,5 +176,7 @@ def cmake_args(self):
args.append('{0}=OFF'.format(opt)) args.append('{0}=OFF'.format(opt))
if '+kspace' in spec: if '+kspace' in spec:
args.append('-DFFT=FFTW3') args.append('-DFFT=FFTW3')
if '+kokkos' in spec:
args.append('-DEXTERNAL_KOKKOS=ON')
return args return args