From 38a2f9c2f22dfbf0a545b3ef46a602ac6a2f82e8 Mon Sep 17 00:00:00 2001 From: Mark Abraham Date: Tue, 26 Nov 2024 13:50:41 +0100 Subject: gromacs: Improve HeFFTe dependency (#47805) GROMACS supports HeFFTe with either SYCL or CUDA build and requires a matching HeFFTe build --- var/spack/repos/builtin/packages/gromacs/package.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index ccb9d3d519..c05838ff66 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -114,9 +114,11 @@ class Gromacs(CMakePackage, CudaPackage): variant( "heffte", default=False, - when="@2021: +sycl+mpi", + when="@2021: +mpi", description="Enable multi-GPU FFT support with HeFFTe", ) + depends_on("heffte +cuda", when="+heffte +cuda") + depends_on("heffte +sycl", when="+heffte +sycl") variant("opencl", default=False, description="Enable OpenCL support") variant("sycl", default=False, when="@2021: %clang", description="Enable SYCL support") variant( -- cgit v1.2.3-70-g09d2