diff --git a/devtools/conda-envs/full.yaml b/devtools/conda-envs/full.yaml index 4f528b3..4356006 100644 --- a/devtools/conda-envs/full.yaml +++ b/devtools/conda-envs/full.yaml @@ -25,8 +25,8 @@ dependencies: # Recharge - qcelemental - - qcportal <0.50 - - qcengine >=0.25 + - qcportal >=0.50 + - qcengine - xtb-python - geometric =1