From 6051ebe0ceead3b43f37511695269fb95c3dc4a9 Mon Sep 17 00:00:00 2001
From: Doron Behar <doron.behar@gmail.com>
Date: Tue, 25 Jul 2023 15:18:12 +0300
Subject: [PATCH 1/3] lammps: Add meta.mainProgram

---
 pkgs/applications/science/molecular-dynamics/lammps/default.nix | 1 +
 1 file changed, 1 insertion(+)

diff --git a/pkgs/applications/science/molecular-dynamics/lammps/default.nix b/pkgs/applications/science/molecular-dynamics/lammps/default.nix
index a1c0f60ffa01..9e60985a33f1 100644
--- a/pkgs/applications/science/molecular-dynamics/lammps/default.nix
+++ b/pkgs/applications/science/molecular-dynamics/lammps/default.nix
@@ -106,5 +106,6 @@ stdenv.mkDerivation rec {
     # support.
     broken = (blas.isILP64 && lapack.isILP64);
     maintainers = [ maintainers.costrouc maintainers.doronbehar ];
+    mainProgram = "lmp";
   };
 }

From 10e7c631c862270dca61be057525a8193e7f1967 Mon Sep 17 00:00:00 2001
From: Doron Behar <doron.behar@gmail.com>
Date: Tue, 25 Jul 2023 15:18:26 +0300
Subject: [PATCH 2/3] lammps: Install vim and neovim files

---
 .../science/molecular-dynamics/lammps/default.nix          | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/pkgs/applications/science/molecular-dynamics/lammps/default.nix b/pkgs/applications/science/molecular-dynamics/lammps/default.nix
index 9e60985a33f1..728062a46865 100644
--- a/pkgs/applications/science/molecular-dynamics/lammps/default.nix
+++ b/pkgs/applications/science/molecular-dynamics/lammps/default.nix
@@ -84,9 +84,14 @@ 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; {

From eae54103cac6e381565c70b7ed8310f15b648c8b Mon Sep 17 00:00:00 2001
From: Doron Behar <doron.behar@gmail.com>
Date: Thu, 27 Jul 2023 18:51:41 +0300
Subject: [PATCH 3/3] lammps: always enable cuda opengl runpath support

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

diff --git a/pkgs/applications/science/molecular-dynamics/lammps/default.nix b/pkgs/applications/science/molecular-dynamics/lammps/default.nix
index 728062a46865..5842efea44e8 100644
--- a/pkgs/applications/science/molecular-dynamics/lammps/default.nix
+++ b/pkgs/applications/science/molecular-dynamics/lammps/default.nix
@@ -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 = {