diff --git a/devtools/conda-envs/alchemiscale-compute.yml b/devtools/conda-envs/alchemiscale-compute.yml index 56b21cef..c0f371d2 100644 --- a/devtools/conda-envs/alchemiscale-compute.yml +++ b/devtools/conda-envs/alchemiscale-compute.yml @@ -6,7 +6,7 @@ channels: dependencies: - pip - python =3.10 - - cudatoolkit <=11.7 # many actual compute resources are not yet compatible with cudatoolkit >=11.8 + - cudatoolkit =11.8 # alchemiscale dependencies - gufe=0.9.5