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Merge pull request #245375 from doronbehar/pkg/lammps

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lammps: numerous improvements
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Doron Behar 2023-08-01 14:44:57 +00:00 committed by GitHub
commit 43ce484589
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1 changed files with 11 additions and 1 deletions
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12
pkgs/applications/science/molecular-dynamics/lammps/default.nix
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@ -7,6 +7,7 @@
, blas , blas
, lapack , lapack
, cmake , cmake
, cudaPackages
, pkg-config , pkg-config
# Available list of packages can be found near here: # Available list of packages can be found near here:
# #
@ -59,6 +60,9 @@ stdenv.mkDerivation rec {
nativeBuildInputs = [ nativeBuildInputs = [
cmake cmake
pkg-config pkg-config
# Although not always needed, it is needed if cmakeFlags include
# GPU_API=cuda, and it doesn't users that don't enable the GPU package.
cudaPackages.autoAddOpenGLRunpathHook
]; ];
passthru = { passthru = {
@ -84,9 +88,14 @@ stdenv.mkDerivation rec {
] ++ extraBuildInputs ] ++ extraBuildInputs
; ;
# For backwards compatibility
postInstall = '' postInstall = ''
# For backwards compatibility
ln -s $out/bin/lmp $out/bin/lmp_serial ln -s $out/bin/lmp $out/bin/lmp_serial
# Install vim and neovim plugin
install -Dm644 ../../tools/vim/lammps.vim $out/share/vim-plugins/lammps/syntax/lammps.vim
install -Dm644 ../../tools/vim/filetype.vim $out/share/vim-plugins/lammps/ftdetect/lammps.vim
mkdir -p $out/share/nvim
ln -s $out/share/vim-plugins/lammps $out/share/nvim/site
''; '';
meta = with lib; { meta = with lib; {
@ -106,5 +115,6 @@ stdenv.mkDerivation rec {
# support. # support.
broken = (blas.isILP64 && lapack.isILP64); broken = (blas.isILP64 && lapack.isILP64);
maintainers = [ maintainers.costrouc maintainers.doronbehar ]; maintainers = [ maintainers.costrouc maintainers.doronbehar ];
mainProgram = "lmp";
}; };
} }