diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/cp2k/package.py | 11 |
1 files changed, 6 insertions, 5 deletions
diff --git a/var/spack/repos/builtin/packages/cp2k/package.py b/var/spack/repos/builtin/packages/cp2k/package.py index a74ceb6858..d1ac5b086e 100644 --- a/var/spack/repos/builtin/packages/cp2k/package.py +++ b/var/spack/repos/builtin/packages/cp2k/package.py @@ -77,6 +77,12 @@ class Cp2k(MakefilePackage, CudaPackage): depends_on('lapack') depends_on('fftw-api@3') + # Force openmp propagation on some providers of blas / fftw-api + with when('+openmp'): + depends_on('fftw+openmp', when='^fftw') + depends_on('amdfftw+openmp', when='^amdfftw') + depends_on('openblas threads=openmp', when='^openblas') + with when('smm=libxsmm'): # require libxsmm-1.11+ since 1.10 can leak file descriptors in Fortran depends_on('libxsmm@1.11:~header-only') @@ -174,11 +180,6 @@ class Cp2k(MakefilePackage, CudaPackage): conflicts('%clang') conflicts('%nag') - conflicts('^fftw~openmp', when='+openmp') - conflicts('^amdfftw~openmp', when='+openmp') - conflicts('^openblas threads=none', when='+openmp') - conflicts('^openblas threads=pthreads', when='+openmp') - conflicts('~openmp', when='@8:', msg='Building without OpenMP is not supported in CP2K 8+') # We only support specific cuda_archs for which we have parameter files |