From 611619a7712eeadca68ecb4f330e9b25f016dc99 Mon Sep 17 00:00:00 2001
From: "R. Ryantm" <ryantm-bot@ryantm.com>
Date: Tue, 20 Jan 2026 23:18:29 +0000
Subject: [PATCH 1/2] python3Packages.qcengine: 0.33.0 -> 0.34.0

---
 pkgs/development/python-modules/qcengine/default.nix | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/pkgs/development/python-modules/qcengine/default.nix b/pkgs/development/python-modules/qcengine/default.nix
index 4a83cd6af40c..e8fe59a5878a 100644
--- a/pkgs/development/python-modules/qcengine/default.nix
+++ b/pkgs/development/python-modules/qcengine/default.nix
@@ -2,6 +2,7 @@
   lib,
   buildPythonPackage,
   fetchPypi,
+  pythonAtLeast,
   ipykernel,
   msgpack,
   networkx,
@@ -19,12 +20,12 @@
 
 buildPythonPackage rec {
   pname = "qcengine";
-  version = "0.33.0";
+  version = "0.34.0";
   pyproject = true;
 
   src = fetchPypi {
     inherit pname version;
-    hash = "sha256-Ute8puO2qc679ttZgzQRnVO8OuBmYnqLT3y7faHpRgA=";
+    hash = "sha256-VKULy45bYn5TmxU7TbOVK98r0pRMWAwissmgx0Ee/8w=";
   };
 
   build-system = [ setuptools ];
@@ -60,5 +61,6 @@ buildPythonPackage rec {
     license = lib.licenses.bsd3;
     maintainers = with lib.maintainers; [ sheepforce ];
     mainProgram = "qcengine";
+    broken = pythonAtLeast "3.14"; # https://github.com/MolSSI/QCEngine/issues/481
   };
 }

From ed2a4997c7d0da66fd4697bfefc0270f9596fd19 Mon Sep 17 00:00:00 2001
From: Phillip Seeber <phillip.seeber@uni-jena.de>
Date: Thu, 22 Jan 2026 13:38:12 +0100
Subject: [PATCH 2/2] python3Packages.qcelemental: 0.29.0 -> 0.30.0

---
 .../python-modules/qcelemental/default.nix          | 13 +++++++++----
 1 file changed, 9 insertions(+), 4 deletions(-)

diff --git a/pkgs/development/python-modules/qcelemental/default.nix b/pkgs/development/python-modules/qcelemental/default.nix
index 55c3c9a108a8..92dfd2ec696b 100644
--- a/pkgs/development/python-modules/qcelemental/default.nix
+++ b/pkgs/development/python-modules/qcelemental/default.nix
@@ -2,8 +2,10 @@
   stdenv,
   buildPythonPackage,
   lib,
+  pythonAtLeast,
   fetchPypi,
   poetry-core,
+  setuptools,
   ipykernel,
   networkx,
   numpy,
@@ -16,15 +18,18 @@
 
 buildPythonPackage rec {
   pname = "qcelemental";
-  version = "0.29.0";
+  version = "0.30.0";
   pyproject = true;
 
   src = fetchPypi {
     inherit pname version;
-    hash = "sha256-v2NO5lLn2V6QbikZiVEyJCM7HXBcJq/qyG5FHzFrPAQ=";
+    hash = "sha256-nIW38ReKgE1FA0r55TOOsAOlvtAV3fIQexTsyqx4r4g=";
   };
 
-  build-system = [ poetry-core ];
+  build-system = [
+    poetry-core
+    setuptools
+  ];
 
   dependencies = [
     numpy
@@ -49,7 +54,7 @@ buildPythonPackage rec {
   pythonImportsCheck = [ "qcelemental" ];
 
   meta = {
-    broken = stdenv.hostPlatform.isDarwin;
+    broken = stdenv.hostPlatform.isDarwin || pythonAtLeast "3.14"; # https://github.com/MolSSI/QCElemental/issues/375
     description = "Periodic table, physical constants and molecule parsing for quantum chemistry";
     homepage = "https://github.com/MolSSI/QCElemental";
     changelog = "https://github.com/MolSSI/QCElemental/blob/v${version}/docs/changelog.rst";