From f6616d2e3a8d16a7868de2b7c540b7ad6b4b8fcc Mon Sep 17 00:00:00 2001
From: Markus Kowalewski <markus.kowalewski@gmail.com>
Date: Thu, 22 Feb 2024 17:47:11 +0100
Subject: gromacs: require single precssion when building with CUDA

---
 pkgs/applications/science/molecular-dynamics/gromacs/default.nix | 4 ++++
 1 file changed, 4 insertions(+)

(limited to 'pkgs/applications/science/molecular-dynamics')

diff --git a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
index c05e79eebcdf2..fe4d965b77783 100644
--- a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
+++ b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
@@ -19,6 +19,10 @@
 , cpuAcceleration ? null
 }:
 
+
+# CUDA is only implemented for single precission
+assert enableCuda -> singlePrec;
+
 let
   inherit (cudaPackages.cudaFlags) cudaCapabilities dropDot;
 
-- 
cgit 1.4.1