Adding missing rdkit dependency.

paulsaxe · paulsaxe · commit da2e979c0e86 · 2024-06-21T09:23:55.000-04:00
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
@@ -11,6 +11,7 @@ dependencies:
   # SEAMM
   - seamm
   - pyyaml
+  - rdkit
   - tabulate
 
   # Testing
@@ -21,7 +22,7 @@ dependencies:
   - pytest-cov
 
   # Integration testing
-  - packmol==20.2.2
+  # - packmol==20.2.2
 
   # Documentation
   - pydata-sphinx-theme
diff --git a/requirements.txt b/requirements.txt
@@ -1,3 +1,4 @@
 seamm
 seamm_exec
+rdkit
 tabulate
