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gromacsDouble{,Mpi}: explicitly disable CUDA support (incompatible with singlePrec)

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Gaetan Lepage
2025-11-01 00:30:02 +00:00
parent 7d80ac517e
commit 2e0ae49ba1
2 changed files with 3 additions and 1 deletions
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2
pkgs/applications/science/molecular-dynamics/gromacs/default.nix
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@@ -20,7 +20,7 @@
cpuAcceleration ? null,
}:
# CUDA is only implemented for single precission
# CUDA is only implemented for single precision
assert enableCuda -> singlePrec;
let

2
pkgs/top-level/all-packages.nix
View File

@@ -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;
}