From 4804262cb2e9af36b53de2c6d094aceb143b8c47 Mon Sep 17 00:00:00 2001
From: Doron Behar <doron.behar@gmail.com>
Date: Mon, 13 Jul 2026 17:23:27 +0300
Subject: [PATCH 1/2] lammps: small nativeBuildInputs formatting

---
 pkgs/by-name/la/lammps/package.nix | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/pkgs/by-name/la/lammps/package.nix b/pkgs/by-name/la/lammps/package.nix
index 40ed6f08f348..0c6f9b7fcbec 100644
--- a/pkgs/by-name/la/lammps/package.nix
+++ b/pkgs/by-name/la/lammps/package.nix
@@ -71,7 +71,9 @@ stdenv.mkDerivation (finalAttrs: {
     # GPU_API=cuda, and it doesn't users that don't enable the GPU package.
     autoAddDriverRunpath
   ]
-  ++ lib.optionals packages.PYTHON [ python3 ];
+  ++ lib.optionals packages.PYTHON [
+    python3
+  ];
 
   passthru = {
     inherit packages;

From 82f8c9dd91ee8a9c77dcddd27886eff9f2373a57 Mon Sep 17 00:00:00 2001
From: Doron Behar <doron.behar@gmail.com>
Date: Mon, 13 Jul 2026 17:23:46 +0300
Subject: [PATCH 2/2] lammps: add mpich to nativeBuildInputs if needed

Before `strictDeps` was enabled in
b2d648ff9b219981860ec1baf4df76a98cc4a001, the `MPIIO` package could have
worked with `mpich` added to `buildInputs`. However this was wrong and
made the compilation fail (with `MPIIO = true;` set by user override in
`packages` attribute set). To make it easier for users who want to
include MPI support in lammps, we take care of adding `mpich` by
ourselves.
---
 pkgs/by-name/la/lammps/package.nix | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/pkgs/by-name/la/lammps/package.nix b/pkgs/by-name/la/lammps/package.nix
index 0c6f9b7fcbec..d25664c8f85e 100644
--- a/pkgs/by-name/la/lammps/package.nix
+++ b/pkgs/by-name/la/lammps/package.nix
@@ -8,6 +8,7 @@
   blas,
   lapack,
   python3,
+  mpich,
   cmake,
   autoAddDriverRunpath,
   pkg-config,
@@ -39,6 +40,7 @@
     SRD = true;
     REAXFF = true;
     PYTHON = true;
+    MPIIO = true;
   },
   # Extra cmakeFlags to add as "-D${attr}=${value}"
   extraCmakeFlags ? { },
@@ -73,6 +75,9 @@ stdenv.mkDerivation (finalAttrs: {
   ]
   ++ lib.optionals packages.PYTHON [
     python3
+  ]
+  ++ lib.optionals packages.MPIIO [
+    mpich
   ];
 
   passthru = {