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gromacsDouble{,Mpi}: explicitly disable CUDA support (incompatible with singlePrec) (#457398)

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Matt Sturgeon
2025-11-01 11:53:04 +00:00
committed by GitHub
parent 940013c20e 2e0ae49ba1
commit 2dba67c6f3
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, cpuAcceleration ? null,
}: }:
# CUDA is only implemented for single precission # CUDA is only implemented for single precision
assert enableCuda -> singlePrec; assert enableCuda -> singlePrec;
let let

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

@@ -13632,6 +13632,7 @@ with pkgs;
gromacsDouble = lowPrio ( gromacsDouble = lowPrio (
gromacs.override { gromacs.override {
singlePrec = false; singlePrec = false;
enableCuda = false; # CUDA is only implemented for single precision
fftw = fftw; fftw = fftw;
} }
); );
@@ -13639,6 +13640,7 @@ with pkgs;
gromacsDoubleMpi = lowPrio ( gromacsDoubleMpi = lowPrio (
gromacs.override { gromacs.override {
singlePrec = false; singlePrec = false;
enableCuda = false; # CUDA is only implemented for single precision
enableMpi = true; enableMpi = true;
fftw = fftw; fftw = fftw;
} }