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| author | github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com> | 2023-11-14 18:01:11 +0000 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2023-11-14 18:01:11 +0000 |
| commit | 6cc772a6fa213f2624f490735f4cf49426bcc0e0 (patch) | |
| tree | 398d8785581708be3eb823fcffdc18b0f8726e65 /pkgs/applications/science/chemistry/cp2k/default.nix | |
| parent | 0523b2e6c2ea7730352fa32e8a921ec331569571 (diff) | |
| parent | cd014bdb858891bc7a3f0c1267ef8ad4fd11f19c (diff) | |
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Merge master into staging-next
Diffstat (limited to 'pkgs/applications/science/chemistry/cp2k/default.nix')
| -rw-r--r-- | pkgs/applications/science/chemistry/cp2k/default.nix | 11 |
1 files changed, 9 insertions, 2 deletions
diff --git a/pkgs/applications/science/chemistry/cp2k/default.nix b/pkgs/applications/science/chemistry/cp2k/default.nix index 5bc0dddd79b6..16eabbcbcaa1 100644 --- a/pkgs/applications/science/chemistry/cp2k/default.nix +++ b/pkgs/applications/science/chemistry/cp2k/default.nix @@ -28,8 +28,16 @@ , spfft , enableElpa ? false , elpa -, gpuBackend ? "none" , cudaPackages +, rocmPackages +, config +, gpuBackend ? ( + if config.cudaSupport + then "cuda" + else if config.rocmSupport + then "rocm" + else "none" +) # gpuVersion needs to be set for both CUDA as well as ROCM hardware. # gpuArch is only required for the ROCM stack. # Change to a value suitable for your target GPU. @@ -37,7 +45,6 @@ # and for Nvidia see https://github.com/cp2k/cp2k/blob/master/INSTALL.md#2i-cuda-optional-improved-performance-on-gpu-systems , gpuVersion ? "Mi100" , gpuArch ? "gfx908" -, rocmPackages }: assert builtins.elem gpuBackend [ "none" "cuda" "rocm" ]; |