From 995c1dfeb3f90a5a9546e98d21f6ce9058e9b4b0 Mon Sep 17 00:00:00 2001
From: "R. Ryantm" <ryantm-bot@ryantm.com>
Date: Sat, 8 Aug 2026 07:44:41 +0000
Subject: [PATCH 1/4] lammps: 22Jul2025_update4 -> 22Jul2025_update5

---
 pkgs/by-name/la/lammps/package.nix | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/pkgs/by-name/la/lammps/package.nix b/pkgs/by-name/la/lammps/package.nix
index 4b23520c0002..4a6547d218d3 100644
--- a/pkgs/by-name/la/lammps/package.nix
+++ b/pkgs/by-name/la/lammps/package.nix
@@ -51,7 +51,7 @@
 stdenv.mkDerivation (finalAttrs: {
   # LAMMPS has weird versioning convention. Updates should go smoothly with:
   # nix-update --commit lammps --version-regex 'stable_(.*)'
-  version = "22Jul2025_update4";
+  version = "22Jul2025_update5";
   pname = "lammps";
 
   __structuredAttrs = true;
@@ -61,7 +61,7 @@ stdenv.mkDerivation (finalAttrs: {
     owner = "lammps";
     repo = "lammps";
     tag = "stable_${finalAttrs.version}";
-    hash = "sha256-QH63nh7J3NjfdfpN7J96Q+9ZGqj8cA0YwEmgTuBbGmg=";
+    hash = "sha256-kI4CubDgXwnDDeXNan88RzG+iGMJMnsqfpfhWtJFhAI=";
   };
   preConfigure = ''
     cd cmake

From 52fefddc702a4487050f887b95126f8f610a1a21 Mon Sep 17 00:00:00 2001
From: Doron Behar <doron.behar@gmail.com>
Date: Sat, 8 Aug 2026 20:31:01 +0300
Subject: [PATCH 2/4] lammps: remove unused arguments

---
 pkgs/by-name/la/lammps/package.nix | 2 --
 1 file changed, 2 deletions(-)

diff --git a/pkgs/by-name/la/lammps/package.nix b/pkgs/by-name/la/lammps/package.nix
index 4a6547d218d3..c547c82bcc66 100644
--- a/pkgs/by-name/la/lammps/package.nix
+++ b/pkgs/by-name/la/lammps/package.nix
@@ -8,9 +8,7 @@
   blas,
   lapack,
   python3,
-  mpich,
   cmake,
-  autoAddDriverRunpath,
   pkg-config,
   # Available list of packages can be found near here:
   #

From ab43e703b73f5f22ffbb66ef8fa5f29cb2a967cf Mon Sep 17 00:00:00 2001
From: Doron Behar <doron.behar@gmail.com>
Date: Sat, 8 Aug 2026 20:31:36 +0300
Subject: [PATCH 3/4] lammps: set explicit `updateScript = nix-update-script`

---
 pkgs/by-name/la/lammps/package.nix | 11 +++++++++--
 1 file changed, 9 insertions(+), 2 deletions(-)

diff --git a/pkgs/by-name/la/lammps/package.nix b/pkgs/by-name/la/lammps/package.nix
index c547c82bcc66..7eea3d5d9355 100644
--- a/pkgs/by-name/la/lammps/package.nix
+++ b/pkgs/by-name/la/lammps/package.nix
@@ -44,11 +44,12 @@
   # Extra `buildInputs` - meant for packages that require more inputs
   extraBuildInputs ? [ ],
   extraNativeBuildInputs ? [ ],
+
+  # passthru
+  nix-update-script,
 }:
 
 stdenv.mkDerivation (finalAttrs: {
-  # LAMMPS has weird versioning convention. Updates should go smoothly with:
-  # nix-update --commit lammps --version-regex 'stable_(.*)'
   version = "22Jul2025_update5";
   pname = "lammps";
 
@@ -78,6 +79,12 @@ stdenv.mkDerivation (finalAttrs: {
     inherit extraCmakeFlags;
     inherit extraBuildInputs;
     inherit extraNativeBuildInputs;
+    updateScript = nix-update-script {
+      extraArgs = [
+        "--version-regex"
+        "stable_(.*)"
+      ];
+    };
   };
   cmakeFlags = [
     (lib.cmakeBool "BUILD_SHARED_LIBS" true)

From cdb943b05c89945419f1bbced3663af836142514 Mon Sep 17 00:00:00 2001
From: Doron Behar <doron.behar@gmail.com>
Date: Sat, 8 Aug 2026 20:32:00 +0300
Subject: [PATCH 4/4] lammps: categorize arguments

---
 pkgs/by-name/la/lammps/package.nix | 11 ++++++++---
 1 file changed, 8 insertions(+), 3 deletions(-)

diff --git a/pkgs/by-name/la/lammps/package.nix b/pkgs/by-name/la/lammps/package.nix
index 7eea3d5d9355..45fd0092df2e 100644
--- a/pkgs/by-name/la/lammps/package.nix
+++ b/pkgs/by-name/la/lammps/package.nix
@@ -2,14 +2,19 @@
   lib,
   stdenv,
   fetchFromGitHub,
+
+  # nativeBuildInputs
+  pkg-config,
+  cmake,
+  python3,
+
+  # buildInputs
   libpng,
   gzip,
   fftw,
   blas,
   lapack,
-  python3,
-  cmake,
-  pkg-config,
+
   # Available list of packages can be found near here:
   #
   # - https://github.com/lammps/lammps/blob/develop/cmake/CMakeLists.txt#L222