🤖 Bump RDKit version to Release_2025_03_1 (#129) [skip ci]

* Set RDKit version to Release_2025_03_1

* Switch to windows 2022 GH runners

* Cherry pick fix from rdkit

---------

Co-authored-by: Create or Update Pull Request Action <create-or-update-pull-request@users.noreply.github.com>
Co-authored-by: Christopher Kuenneth <christopher.kuenneth@gmail.com>

Author: 3 people

.github/workflows/wheels.yml

@@ -26,23 +26,23 @@ jobs:
       matrix:
         include:
           # Window 64 bit
-          - os: windows-2019
+          - os: windows-2022
             python: 39
             bitness: 64
             platform_id: win_amd64
-          - os: windows-2019
+          - os: windows-2022
             python: 310
             bitness: 64
             platform_id: win_amd64
-          - os: windows-2019
+          - os: windows-2022
             python: 311
             bitness: 64
             platform_id: win_amd64
-          - os: windows-2019
+          - os: windows-2022
             python: 312
             bitness: 64
             platform_id: win_amd64
-          - os: windows-2019
+          - os: windows-2022
             python: 313
             bitness: 64
             platform_id: win_amd64

setup.py

@@ -12,7 +12,7 @@
 from setuptools.command.build_ext import build_ext as build_ext_orig
 
 # RDKit version to build (tag from github repository)
-rdkit_tag = "Release_2024_09_6"
+rdkit_tag = "Release_2025_03_1"
 
 with open("README.md", "r", encoding="utf-8") as fh:
     long_description = fh.read()
@@ -156,7 +156,23 @@ def build_rdkit(self, ext):
         # Start build process
         os.chdir(str("rdkit"))
 
-       
+        if rdkit_tag == "Release_2025_03_1":
+            # https://github.com/rdkit/rdkit/pull/8399/commits/e5b1e3caf0c362139a5905575b5f995c470b9300
+            check_call(["git", "config", "--global", "user.email", '"you@example.com"'])
+            check_call(["git", "config", "--global", "user.name", '"Your Name"'])
+
+            check_call(["git", "fetch", "origin", "pull/8399/head:tag_release"])
+            check_call(
+                [
+                    "git",
+                    "cherry-pick",
+                    "--strategy=recursive",
+                    "-X",
+                    "theirs",
+                    "e5b1e3caf0c362139a5905575b5f995c470b9300",
+                ]
+            )
+    
         import fileinput
 
         def replace_all(file, search_exp, replace_exp):