Fix failing test test_charge_transformer (#111)

* see if we get the same error with conda-forge packages * see if that pin fixes it
OpenFreeEnergy · Feb 20, 2025 · 4979e18 · 4979e18
1 parent 542652a
commit 4979e18
Showing 1 changed file with 2 additions and 3 deletions.
diff --git a/environment.yml b/environment.yml
@@ -20,6 +20,8 @@ dependencies:
   - scipy
   - networkx
   - scikit-learn
+  - scikit-mol <0.4.6
+  - dill
   # Chem
   - rdkit==2024.03.5
   # Vis
@@ -28,8 +30,5 @@ dependencies:
   - myst-parser
   - pydata-sphinx-theme
   - tqdm
-
   - pip:
-    - dill
-    - scikit-mol
     - git+https://github.com/OpenFreeEnergy/ofe-sphinx-theme@a45f3edd5bc3e973c1a01b577c71efa1b62a65d6