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dbcsr: expose all options, check openblas feats (#16034)

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* dbcsr: expose all options, check openblas feats

* dbcsr: use Ninja to build, ensure serialized tests

* dbcsr: add myself as maintainer
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Tiziano Müller 2020-04-16 16:47:31 +02:00 committed by GitHub
parent 7ac6f7fed9
commit 7c5fc6acea
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1 changed files with 60 additions and 7 deletions
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67
var/spack/repos/builtin/packages/dbcsr/package.py
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@ -6,36 +6,89 @@
from spack import *
class Dbcsr(CMakePackage):
class Dbcsr(CMakePackage, CudaPackage):
"""Distributed Block Compressed Sparse Row matrix library."""
homepage = "https://github.com/cp2k/dbcsr"
git = "https://github.com/cp2k/dbcsr.git"
maintainers = ['dev-zero']
version('develop', branch='develop')
variant('mpi', default=True, description='Compile with MPI')
variant('openmp', default=False, description='Build with OpenMP support')
variant('shared', default=True, description='Build shared library')
variant('smm', default='libxsmm', values=('libxsmm', 'blas'),
description='Library for small matrix multiplications')
variant('cuda_arch',
description='CUDA architecture',
default='none',
values=('none', '35', '37', '60', '70'),
multi=False)
variant('cuda_arch_35_k20x', default=False,
description=('CP2K (resp. DBCSR) has specific parameter sets for'
' different GPU models. Enable this when building'
' with cuda_arch=35 for a K20x instead of a K40'))
depends_on('blas')
depends_on('lapack')
depends_on('mpi', when='+mpi')
depends_on('py-fypp')
depends_on('libxsmm@1.11:~header-only', when='smm=libxsmm')
depends_on('cmake@3.12:', type='build')
depends_on('py-fypp', type='build')
depends_on('pkgconfig', type='build')
depends_on('python@3.6:', type='build', when='+cuda')
conflicts('+cuda', when='cuda_arch=none')
generator = 'Ninja'
depends_on('ninja@1.10:', type='build')
def cmake_args(self):
if ('+openmp' in self.spec
and '^openblas' in self.spec
and '^openblas threads=openmp' not in self.spec):
raise InstallError(
'^openblas threads=openmp required for dbcsr+openmp')
spec = self.spec
args = [
'-DUSE_SMM=%s' % ('libxsmm' if 'smm=libxsmm' in spec else 'blas'),
'-DUSE_MPI=%s' % ('ON' if '+mpi' in spec else 'OFF'),
'-DUSE_OPENMP=%s' % (
'ON' if '+openmp' in spec else 'OFF'),
# C API need MPI
# C API needs MPI
'-DWITH_C_API=%s' % ('ON' if '+mpi' in spec else 'OFF'),
'-DLAPACK_FOUND=true',
'-DLAPACK_LIBRARIES=%s' % spec['lapack'].libs.joined(';'),
'-DBLAS_FOUND=true',
'-DBLAS_LIBRARIES=%s' % spec['blas'].libs.joined(';'),
'-DBLAS_LIBRARIES=%s' % (spec['blas'].libs.joined(';')),
'-DLAPACK_FOUND=true',
'-DLAPACK_LIBRARIES=%s' % (spec['lapack'].libs.joined(';')),
'-DWITH_EXAMPLES=ON',
'-DBUILD_SHARED_LIBS=ON'
'-DBUILD_SHARED_LIBS=%s' % ('ON' if '+shared' in spec else 'OFF'),
]
if '+cuda' in self.spec:
cuda_arch = self.spec.variants['cuda_arch'].value
gpuver = {
'35': 'K40',
'37': 'K80',
'60': 'P100',
'70': 'V100',
}[cuda_arch]
if (cuda_arch == '35'
and self.spec.satisfies('+cuda_arch_35_k20x')):
gpuver = 'K20X'
args += ['-DWITH_GPU=%s' % gpuver]
return args
def check(self):
"""Override CMakePackage's check() to enforce seralized test runs
since they are already parallelized"""
with working_dir(self.build_directory):
self._if_ninja_target_execute('test', parallel=False)