From 34a0ebd030a322f757826ee2380fb22cdeddd137 Mon Sep 17 00:00:00 2001
From: Phillip Seeber <phillip.seeber@uni-jena.de>
Date: Wed, 14 Feb 2024 10:43:00 +0100
Subject: [PATCH] openbabel-unstable: 3.1.1 -> unstable-06-12-23

---
 pkgs/development/libraries/openbabel/default.nix | 16 +++++++++-------
 .../openbabel-bindings/default.nix               |  3 +--
 2 files changed, 10 insertions(+), 9 deletions(-)

diff --git a/pkgs/development/libraries/openbabel/default.nix b/pkgs/development/libraries/openbabel/default.nix
index fe12bbffa531..f472f7b06364 100644
--- a/pkgs/development/libraries/openbabel/default.nix
+++ b/pkgs/development/libraries/openbabel/default.nix
@@ -1,21 +1,21 @@
-{ stdenv, lib, fetchFromGitHub, cmake, zlib, libxml2, eigen, python, cairo, pcre, pkg-config, swig, rapidjson }:
+{ stdenv, lib, fetchFromGitHub, cmake, perl, zlib, libxml2, eigen, python, cairo, pcre, pkg-config, swig, rapidjson }:
 
 stdenv.mkDerivation rec {
   pname = "openbabel";
-  version = "3.1.1";
+  version = "unstable-06-12-23";
 
   src = fetchFromGitHub {
     owner = "openbabel";
-    repo = "openbabel";
-    rev = "openbabel-${lib.replaceStrings ["."] ["-"] version}";
-    sha256 = "sha256-wQpgdfCyBAoh4pmj9j7wPTlMtraJ62w/EShxi/olVMY=";
+    repo = pname;
+    rev = "32cf131444c1555c749b356dab44fb9fe275271f";
+    hash = "sha256-V0wrZVrojCZ9Knc5H6cPzPoYWVosRZ6Sn4PX+UFEfHY=";
   };
 
   postPatch = ''
     sed '1i#include <ctime>' -i include/openbabel/obutil.h # gcc12
   '';
 
-  buildInputs = [ zlib libxml2 eigen python cairo pcre swig rapidjson ];
+  buildInputs = [ perl zlib libxml2 eigen python cairo pcre swig rapidjson ];
 
   nativeBuildInputs = [ cmake pkg-config ];
 
@@ -26,13 +26,15 @@ stdenv.mkDerivation rec {
     "-DPYTHON_BINDINGS=ON"
   ];
 
+  # Setuptools only accepts PEP 440 version strings. The "unstable" identifier
+  # can not be used. Instead we pretend to be the 3.2 beta release.
   postFixup = ''
     cat <<EOF > $out/lib/python$pythonMajorMinor/site-packages/setup.py
     from distutils.core import setup
 
     setup(
         name = 'pyopenbabel',
-        version = '${version}',
+        version = '3.2b1',
         packages = ['openbabel'],
         package_data = {'openbabel' : ['_openbabel.so']}
     )
diff --git a/pkgs/development/python-modules/openbabel-bindings/default.nix b/pkgs/development/python-modules/openbabel-bindings/default.nix
index fad677987bf4..6cac1fb385b2 100644
--- a/pkgs/development/python-modules/openbabel-bindings/default.nix
+++ b/pkgs/development/python-modules/openbabel-bindings/default.nix
@@ -1,8 +1,7 @@
 { lib, openbabel, python, buildPythonPackage }:
 
 buildPythonPackage rec {
-  pname = "openbabel";
-  version = "3.1.1";
+  inherit (openbabel) pname version;
 
   src = "${openbabel}/lib/python${python.sourceVersion.major}.${python.sourceVersion.minor}/site-packages";