From 16ec83d317eb112f10427276f41942cb5f6f2ce4 Mon Sep 17 00:00:00 2001
From: Phillip Seeber <phillip.seeber@uni-jena.de>
Date: Mon, 21 Oct 2024 14:16:07 +0200
Subject: [PATCH] cclib: 1.8.1b0 -> 1.8.1

---
 pkgs/python-by-name/cclib/package.nix | 22 ++++++++++++++++------
 1 file changed, 16 insertions(+), 6 deletions(-)

diff --git a/pkgs/python-by-name/cclib/package.nix b/pkgs/python-by-name/cclib/package.nix
index 86c2a04b..8df4ea39 100644
--- a/pkgs/python-by-name/cclib/package.nix
+++ b/pkgs/python-by-name/cclib/package.nix
@@ -21,22 +21,30 @@
 
 buildPythonPackage rec {
   pname = "cclib";
-  version = "1.8.1b0";
+  version = "1.8.1";
 
   src = fetchFromGitHub {
     owner = "cclib";
     repo = pname;
-    rev = "07590622dbd571c31f8b874697ce024908345d9a";
-    hash = "sha256-w9o2kBRS6UqTn4HmBSCvx008uUBzYFRaFk0pfY2nM7I=";
+    rev = "v${version}";
+    hash = "sha256-XYFVSJ11MGx2dq/yYa5jaC2XsrStZCT5WzwSCelEV3U=";
   };
 
   pyproject = true;
 
-  nativeBuildInputs = [
+  postPatch = ''
+    substituteInPlace pyproject.toml --replace-fail '"versioningit~=2.0"' ""
+    sed -i "/versioningit>=/d" pyproject.toml
+    sed -i '/^name =.*/a version = "${version}"' pyproject.toml
+    sed -i "/dynamic =/d" pyproject.toml
+    echo '__version__ = "${version}"' > cclib/_version.py
+  '';
+
+  build-system = [
     setuptools
   ];
 
-  propagatedBuildInputs = [
+  dependencies = [
     numpy
     scipy
     periodictable
@@ -52,7 +60,9 @@ buildPythonPackage rec {
     pyquante
   ];
 
-  checkInputs = [ pytestCheckHook ];
+  nativeCheckInputs = [ pytestCheckHook ];
+
+  pythonImportsCheck = [ "cclib" ];
 
   disabledTests = [
     "test_url_io"