diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml index 11ebf2197..c4aa67a4a 100644 --- a/devtools/conda-envs/test_env.yaml +++ b/devtools/conda-envs/test_env.yaml @@ -24,8 +24,11 @@ dependencies: - openff-nagl-models ==0.3.0 # Toolkit-specific - ambertools >=22 - # https://github.com/rdkit/rdkit/issues/7221 and https://github.com/rdkit/rdkit/issues/7583 - - rdkit !=2024.03.6,!=2024.03.5 + # https://github.com/rdkit/rdkit/issues/7221 + # https://github.com/rdkit/rdkit/issues/7583 + # and a bad stub (causing mypy failure only) + - rdkit !=2024.03.6,!=2024.03.5,!=2024.03.4 + - openeye-toolkits # Test-only/optional/dev/typing - pytest diff --git a/openff/toolkit/_tests/test_toolkits.py b/openff/toolkit/_tests/test_toolkits.py index 4fbac6d47..e615b4687 100644 --- a/openff/toolkit/_tests/test_toolkits.py +++ b/openff/toolkit/_tests/test_toolkits.py @@ -193,8 +193,8 @@ def get_mini_drug_bank(toolkit_class, xfail_mols=None): "DrugBank_1962", "DrugBank_5043", "DrugBank_2519", - "DrugBank_7124", - "DrugBank_6865", + # "DrugBank_7124", # same as below + # "DrugBank_6865", # only after RDKit 2024.3 (possibly only 2024.3.3?) ] openeye_iupac_bad_stereo = [