From 2e0ae49ba1d9e4d11fb5b2cc51e3e4e1a8d76f9e Mon Sep 17 00:00:00 2001
From: Gaetan Lepage <gaetan@glepage.com>
Date: Sat, 1 Nov 2025 00:30:02 +0000
Subject: [PATCH] gromacsDouble{,Mpi}: explicitly disable CUDA support
 (incompatible with singlePrec)

---
 .../applications/science/molecular-dynamics/gromacs/default.nix | 2 +-
 pkgs/top-level/all-packages.nix                                 | 2 ++
 2 files changed, 3 insertions(+), 1 deletion(-)

diff --git a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
index 31d4b31dc56c..031b996a2b87 100644
--- a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
+++ b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
@@ -20,7 +20,7 @@
   cpuAcceleration ? null,
 }:
 
-# CUDA is only implemented for single precission
+# CUDA is only implemented for single precision
 assert enableCuda -> singlePrec;
 
 let
diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix
index 2faee7e207fb..b0bb4beb919c 100644
--- a/pkgs/top-level/all-packages.nix
+++ b/pkgs/top-level/all-packages.nix
@@ -13644,6 +13644,7 @@ with pkgs;
   gromacsDouble = lowPrio (
     gromacs.override {
       singlePrec = false;
+      enableCuda = false; # CUDA is only implemented for single precision
       fftw = fftw;
     }
   );
@@ -13651,6 +13652,7 @@ with pkgs;
   gromacsDoubleMpi = lowPrio (
     gromacs.override {
       singlePrec = false;
+      enableCuda = false; # CUDA is only implemented for single precision
       enableMpi = true;
       fftw = fftw;
     }