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Propagate openmp to blas for sirius and spla (#24027)

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And also update lowerbounds of dependencies
This commit is contained in:
Harmen Stoppels 2021-05-31 16:16:00 +02:00 committed by GitHub
parent 8cdf42e1db
commit 7bae865c7e
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GPG Key ID: 4AEE18F83AFDEB23
2 changed files with 27 additions and 11 deletions
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32
var/spack/repos/builtin/packages/sirius/package.py
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@ -79,7 +79,8 @@ class Sirius(CMakePackage, CudaPackage):
depends_on('gsl')
depends_on('lapack')
depends_on('fftw-api@3')
depends_on('libxc')
depends_on('libxc@3.0.0:')
depends_on('libxc@4.0.0:', when='@7.2.0:')
depends_on('spglib')
depends_on('hdf5+hl')
depends_on('pkgconfig', type='build')
@ -94,20 +95,20 @@ class Sirius(CMakePackage, CudaPackage):
depends_on('magma', when='+magma')
depends_on('boost cxxstd=14 +filesystem', when='+boost_filesystem')
depends_on('spfft@1.0.3:', when='@6.4.0:')
depends_on('spfft+cuda', when='@6.4.0:+cuda')
depends_on('spfft+rocm', when='@6.4.0:+rocm')
depends_on('spfft@0.9.6: +mpi', when='@6.4.0:')
depends_on('spfft@0.9.13:', when='@7.0.1:')
depends_on('spfft+cuda', when='+cuda ^spfft')
depends_on('spfft+rocm', when='+rocm ^spfft')
depends_on('spfft+openmp', when='+openmp ^spfft')
depends_on('spla@1.4.0:', when='@7.0.0:')
depends_on('spla+cuda', when='@7.0.0:+cuda')
depends_on('spla+rocm', when='@7.0.0:+rocm')
depends_on('elpa+openmp', when='+elpa+openmp')
depends_on('elpa~openmp', when='+elpa~openmp')
depends_on('spla@1.1.0:', when='@7.0.2:')
depends_on('spla+cuda', when='+cuda ^spla')
depends_on('spla+rocm', when='+rocm ^spla')
depends_on('spla+openmp', when='+openmp ^spla')
depends_on('nlcglib', when='+nlcglib')
depends_on('libvdwxc+mpi', when='+vdwxc')
depends_on('libvdwxc@0.3.0:+mpi', when='+vdwxc')
depends_on('scalapack', when='+scalapack')
@ -126,6 +127,15 @@ class Sirius(CMakePackage, CudaPackage):
conflicts('+boost_filesystem', when='~apps')
conflicts('^libxc@5.0.0') # known to produce incorrect results
# Propagate openmp to blas
depends_on('openblas threads=openmp', when='+openmp ^openblas')
depends_on('amdblis threads=openmp', when='+openmp ^amdblis')
depends_on('blis threads=openmp', when='+openmp ^blis')
depends_on('intel-mkl threads=openmp', when='+openmp ^intel-mkl')
depends_on('elpa+openmp', when='+elpa+openmp')
depends_on('elpa~openmp', when='+elpa~openmp')
# TODO:
# add support for CRAY_LIBSCI, testing

6
var/spack/repos/builtin/packages/spla/package.py
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@ -43,6 +43,12 @@ class Spla(CMakePackage):
depends_on('hsakmt-roct', when='+rocm', type='link')
depends_on('hsa-rocr-dev', when='+rocm', type='link')
# Propagate openmp to blas
depends_on('openblas threads=openmp', when='+openmp ^openblas')
depends_on('amdblis threads=openmp', when='+openmp ^amdblis')
depends_on('blis threads=openmp', when='+openmp ^blis')
depends_on('intel-mkl threads=openmp', when='+openmp ^intel-mkl')
def cmake_args(self):
args = [
self.define_from_variant('SPLA_OMP', 'openmp'),