Merge pull request #70 from ChEB-AI/feature-python3.12

update python version requirement to <=3.12, update lightning version requirement to >= 2.5

Author: sfluegel05

.github/workflows/test.yml

@@ -9,7 +9,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ["3.9", "3.10", "3.11"]
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
 
     steps:
       - uses: actions/checkout@v4

setup.py

@@ -14,7 +14,7 @@
     author_email="[email protected]",
     description="",
     zip_safe=False,
-    python_requires=">=3.9, <3.12",
+    python_requires=">=3.9, <3.13",
     install_requires=[
         "certifi",
         "idna",
@@ -40,7 +40,7 @@
         "matplotlib",
         "rdkit",
         "selfies",
-        "lightning<=2.1",
+        "lightning>=2.5",
         "jsonargparse[signatures]>=4.17",
         "omegaconf",
         "seaborn",