diff --git a/devtools/conda-envs/full-stack.yaml b/devtools/conda-envs/full-stack.yaml index 1a88675..b1277fd 100644 --- a/devtools/conda-envs/full-stack.yaml +++ b/devtools/conda-envs/full-stack.yaml @@ -5,7 +5,7 @@ channels: dependencies: - python - pip - - openff-toolkit =0.15 + - openff-toolkit ~=0.16 - openff-fragmenter - openff-interchange =0.3 - pymbar @@ -31,4 +31,5 @@ dependencies: - openff-qcsubmit ~=0.50 - qcarchivetesting - - h5py \ No newline at end of file + - h5py +