Unverified Commit 43ce4845 authored by Doron Behar's avatar Doron Behar Committed by GitHub
Browse files

Merge pull request #245375 from doronbehar/pkg/lammps 

lammps: numerous improvements
parents 09f2d765 eae54103

pkgs/applications/science/molecular-dynamics/lammps/default.nix

+11 −1
Original line number Diff line number Diff line
@@ -7,6 +7,7 @@ 
, blas

, lapack

, cmake

, cudaPackages

, pkg-config

# Available list of packages can be found near here:

#
@@ -59,6 +60,9 @@ stdenv.mkDerivation rec { 
  nativeBuildInputs = [

    cmake

    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 = {
@@ -84,9 +88,14 @@ stdenv.mkDerivation rec { 
  ] ++ extraBuildInputs

  ;



  # For backwards compatibility

  postInstall = ''

    # For backwards compatibility

    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; {
@@ -106,5 +115,6 @@ stdenv.mkDerivation rec { 
    # support.

    broken = (blas.isILP64 && lapack.isILP64);

    maintainers = [ maintainers.costrouc maintainers.doronbehar ];

    mainProgram = "lmp";

  };

}