diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/cp2k/package.py | 15 |
1 files changed, 7 insertions, 8 deletions
diff --git a/var/spack/repos/builtin/packages/cp2k/package.py b/var/spack/repos/builtin/packages/cp2k/package.py index ebca0a896f..33ffdd7d57 100644 --- a/var/spack/repos/builtin/packages/cp2k/package.py +++ b/var/spack/repos/builtin/packages/cp2k/package.py @@ -158,15 +158,15 @@ class Cp2k(MakefilePackage, CMakePackage, CudaPackage, ROCmPackage): # 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("cray-fftw+openmp", when="^cray-fftw") - depends_on("armpl-gcc threads=openmp", when="^armpl-gcc") - depends_on("openblas threads=openmp", when="^openblas") + depends_on("fftw+openmp", when="^[virtuals=fftw-api] fftw") + depends_on("amdfftw+openmp", when="^[virtuals=fftw-api] amdfftw") + depends_on("cray-fftw+openmp", when="^[virtuals=fftw-api] cray-fftw") + depends_on("armpl-gcc threads=openmp", when="^[virtuals=blas] armpl-gcc") + depends_on("openblas threads=openmp", when="^[virtuals=blas] openblas") # The Cray compiler wrappers will automatically add libsci_mp with # -fopenmp. Since CP2K unconditionally links blas/lapack/scalapack # we have to be consistent. - depends_on("cray-libsci+openmp", when="^cray-libsci") + depends_on("cray-libsci+openmp", when="^[virtuals=blas] cray-libsci") with when("smm=libxsmm"): depends_on("libxsmm@1.17:~header-only", when="@9.1:") @@ -202,8 +202,7 @@ class Cp2k(MakefilePackage, CMakePackage, CudaPackage, ROCmPackage): depends_on("mpi@2:") depends_on("mpi@3:", when="@2023.1:") depends_on("scalapack") - depends_on("mpich+fortran", when="^mpich") - + depends_on("mpich+fortran", when="^[virtuals=mpi] mpich") conflicts("~mpi_f08", when="^mpich@4.1:") with when("+cosma"): |