diff --git a/devtools/conda-envs/espaloma.yaml b/devtools/conda-envs/espaloma.yaml index 35f0709d..fabecc40 100644 --- a/devtools/conda-envs/espaloma.yaml +++ b/devtools/conda-envs/espaloma.yaml @@ -19,7 +19,7 @@ dependencies: - openmmforcefields >=0.11.2 - tqdm - pydantic <2 # We need our deps to fix this - - dgl =1.1.2 + - dgl =2.3.0 - qcportal =0.15.8 # Testing - pytest