Add optional 'chem' dependency

rashatwi · rashatwi · commit b25d7c8b996f · 2025-04-09T19:02:42.000-04:00
diff --git a/pyproject.toml b/pyproject.toml
@@ -47,6 +47,7 @@ dependencies = [
 
 [project.optional-dependencies]
 dev = ["black>=23.3.0", "isort>=5.10.0"]
+chem = ["rdkit>=2023.9.1"]
 
 [tool.setuptools.package-data]
 "mispr.gaussian.data" = ["*.bib"]
