From ab5b77d78b8c215f9457ae819b0e91cb4df83ad8 Mon Sep 17 00:00:00 2001
From: "R. Ryantm" <ryantm-bot@ryantm.com>
Date: Mon, 13 Jan 2025 20:56:34 +0000
Subject: [PATCH 1/3] python312Packages.rmsd: 1.6.2 -> 1.6.4

---
 pkgs/development/python-modules/rmsd/default.nix | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/pkgs/development/python-modules/rmsd/default.nix b/pkgs/development/python-modules/rmsd/default.nix
index ed15670354ed..80d3b1e8b546 100644
--- a/pkgs/development/python-modules/rmsd/default.nix
+++ b/pkgs/development/python-modules/rmsd/default.nix
@@ -7,14 +7,14 @@
 
 buildPythonPackage rec {
   pname = "rmsd";
-  version = "1.6.2";
+  version = "1.6.4";
   format = "setuptools";
 
   propagatedBuildInputs = [ scipy ];
 
   src = fetchPypi {
     inherit pname version;
-    hash = "sha256-E5QIJRqYivSeMxdSOGNt0sbJ6ExHcyLRZ91X6saduto=";
+    hash = "sha256-dhLsFGts45PitSVZxXw5FND3EOeHHWYrH8PZJEYoq+M=";
   };
 
   pythonImportsCheck = [ "rmsd" ];

From 270356aa6021c84e83ed332113bfab393af630cb Mon Sep 17 00:00:00 2001
From: natsukium <tomoya.otabi@gmail.com>
Date: Tue, 14 Jan 2025 17:50:17 +0900
Subject: [PATCH 2/3] python312Packages.rmsd: switch to pypa builder

---
 pkgs/development/python-modules/rmsd/default.nix | 13 ++++++++++---
 1 file changed, 10 insertions(+), 3 deletions(-)

diff --git a/pkgs/development/python-modules/rmsd/default.nix b/pkgs/development/python-modules/rmsd/default.nix
index 80d3b1e8b546..825016480b35 100644
--- a/pkgs/development/python-modules/rmsd/default.nix
+++ b/pkgs/development/python-modules/rmsd/default.nix
@@ -2,21 +2,28 @@
   buildPythonPackage,
   lib,
   fetchPypi,
+  numpy,
   scipy,
+  setuptools,
 }:
 
 buildPythonPackage rec {
   pname = "rmsd";
   version = "1.6.4";
-  format = "setuptools";
-
-  propagatedBuildInputs = [ scipy ];
+  pyproject = true;
 
   src = fetchPypi {
     inherit pname version;
     hash = "sha256-dhLsFGts45PitSVZxXw5FND3EOeHHWYrH8PZJEYoq+M=";
   };
 
+  build-system = [ setuptools ];
+
+  dependencies = [
+    numpy
+    scipy
+  ];
+
   pythonImportsCheck = [ "rmsd" ];
 
   meta = with lib; {

From cfd43ead56226631f767be51c689df46c5ccccfe Mon Sep 17 00:00:00 2001
From: natsukium <tomoya.otabi@gmail.com>
Date: Tue, 14 Jan 2025 17:52:37 +0900
Subject: [PATCH 3/3] python312Packages.rmsd: enable tests

---
 pkgs/development/python-modules/rmsd/default.nix | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/pkgs/development/python-modules/rmsd/default.nix b/pkgs/development/python-modules/rmsd/default.nix
index 825016480b35..6a3664440a78 100644
--- a/pkgs/development/python-modules/rmsd/default.nix
+++ b/pkgs/development/python-modules/rmsd/default.nix
@@ -5,6 +5,7 @@
   numpy,
   scipy,
   setuptools,
+  pytestCheckHook,
 }:
 
 buildPythonPackage rec {
@@ -26,6 +27,8 @@ buildPythonPackage rec {
 
   pythonImportsCheck = [ "rmsd" ];
 
+  nativeCheckInputs = [ pytestCheckHook ];
+
   meta = with lib; {
     description = "Calculate root-mean-square deviation (RMSD) between two sets of cartesian coordinates";
     mainProgram = "calculate_rmsd";