From 202e64872aa44f257aa5e4336a7759fe4add5928 Mon Sep 17 00:00:00 2001 From: Mark Abraham Date: Wed, 28 Aug 2024 12:34:37 +0200 Subject: [PATCH] gromacs: add conflict between NVSHMEM and cuFFTMp (#46065) * Add conflict between NVSHMEM and cuFFTMp for GROMACS package These don't work in the same build configuration. * [@spackbot] updating style on behalf of mabraham * Update package.py Also constrain NVSHMEM appropriately * Update var/spack/repos/builtin/packages/gromacs/package.py Co-authored-by: Andrey Alekseenko * Update package.py * [@spackbot] updating style on behalf of mabraham * Update package.py * Update package.py * Update package.py * [@spackbot] updating style on behalf of mabraham --------- Co-authored-by: mabraham Co-authored-by: Christoph Junghans Co-authored-by: Andrey Alekseenko --- var/spack/repos/builtin/packages/gromacs/package.py | 13 +++++++++++-- 1 file 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 6f95180701a..3e8a36196cc 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(