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-rw-r--r--var/spack/repos/builtin/packages/gromacs/package.py13
1 files changed, 11 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py
index 6f95180701..3e8a36196c 100644
--- a/var/spack/repos/builtin/packages/gromacs/package.py
+++ b/var/spack/repos/builtin/packages/gromacs/package.py
@@ -161,9 +161,18 @@ class Gromacs(CMakePackage, CudaPackage):
variant(
"nvshmem",
default=False,
- description="Enable nvshmem support for nvidia gpus",
- when="+cuda+mpi",
+ when="@2024:+mpi+cuda",
+ description="Enable NVSHMEM support for Nvidia GPUs",
)
+ conflicts(
+ "+nvshmem",
+ when="+cufftmp",
+ msg=(
+ "The GROMACS support for NVSHMEM does not work with the GROMACS support "
+ "for cuFFTMp (even though cuFFTMp uses NVSHMEM in its implementation)"
+ ),
+ )
+
variant("openmp", default=True, description="Enables OpenMP at configure time")
variant("openmp_max_threads", default="none", description="Max number of OpenMP threads")
conflicts(