From 8dc3a1f4deb03762436629438a1495f870efe913 Mon Sep 17 00:00:00 2001
From: "A bot of @njzjz" <48687836+njzjz-bot@users.noreply.github.com>
Date: Wed, 27 May 2026 09:06:01 +0000
Subject: [PATCH] build: replace openbabel-wheel with openbabel

openbabel-wheel has been superseded by the official openbabel package starting with version 3.2.0.

Authored by OpenClaw (model: custom-chat-jinzhezeng-group/gpt-5.5)
---
 setup.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/setup.py b/setup.py
index 1cc4e6a2f..b3cddb504 100644
--- a/setup.py
+++ b/setup.py
@@ -44,13 +44,13 @@
         extras_require={
             "plotting": ["matplotlib>=1.5.2"],
             "phonons": ["phonopy>=2.21.0"],
-            "qchem": ["openbabel-wheel"],
+            "qchem": ["openbabel>=3.2.0"],
             "defects": ["pymatgen-analysis-defects"],
             "hiphive": ["hiphive @ git+https://gitlab.com/jsyony37/hiphive.git@personal#egg=hiphive","f90nml==1.3.1","ase>=3.22.1"],
             "complete": [
                 "matplotlib>=1.5.2",
                 "phonopy>=2.21.0",
-                "openbabel-wheel",
+                "openbabel>=3.2.0",
                 "h5py>=3.0",
                 "hiphive @ git+https://gitlab.com/jsyony37/hiphive.git@personal#egg=hiphive",
                 "f90nml==1.4.4",