diff --git a/devtools/conda-envs/beta_rc_env.yaml b/devtools/conda-envs/beta_rc_env.yaml index 3389d92c9..6f84afe91 100644 --- a/devtools/conda-envs/beta_rc_env.yaml +++ b/devtools/conda-envs/beta_rc_env.yaml @@ -16,6 +16,8 @@ dependencies: - networkx - ambertools - rdkit + # https://github.com/openforcefield/openff-toolkit/issues/1215#issuecomment-1078446482 + - cairo=1.16.0=*_1010 - xmltodict # Test-only/optional/dev - mdtraj @@ -32,7 +34,7 @@ dependencies: - bson - msgpack-python - qcelemental - - qcportal + - qcportal >=0.15 - qcengine - openff-interchange # Typing diff --git a/devtools/conda-envs/openeye.yaml b/devtools/conda-envs/openeye.yaml index be1636319..dd8cb5109 100644 --- a/devtools/conda-envs/openeye.yaml +++ b/devtools/conda-envs/openeye.yaml @@ -17,7 +17,7 @@ dependencies: - coverage - numpy - networkx - - parmed # ??? what ??? + - parmed - openeye-toolkits - packaging # Removed until a new release which targets openff-toolkit is made. @@ -29,13 +29,14 @@ dependencies: - openff-utilities - smirnoff99Frosst - cachetools + - cached-property - pyyaml - toml - bson - msgpack-python - xmltodict - qcelemental - - qcportal + - qcportal >=0.15 - qcengine - mdtraj - pip: diff --git a/devtools/conda-envs/rdkit.yaml b/devtools/conda-envs/rdkit.yaml index ea11f53a4..081d528c9 100644 --- a/devtools/conda-envs/rdkit.yaml +++ b/devtools/conda-envs/rdkit.yaml @@ -18,6 +18,8 @@ dependencies: - networkx - ambertools - rdkit + # https://github.com/openforcefield/openff-toolkit/issues/1215#issuecomment-1078446482 + - cairo=1.16.0=*_1010 - packaging # Removed until a new release which targets openff-toolkit is made. # - openmmforcefields @@ -28,13 +30,14 @@ dependencies: - openff-utilities - smirnoff99Frosst - cachetools + - cached-property - pyyaml - toml - bson - msgpack-python - xmltodict - qcelemental - - qcportal + - qcportal >=0.15 - qcengine - mdtraj - pip: diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml index 78892edeb..c803094e6 100644 --- a/devtools/conda-envs/test_env.yaml +++ b/devtools/conda-envs/test_env.yaml @@ -17,6 +17,8 @@ dependencies: - networkx - ambertools - rdkit + # https://github.com/openforcefield/openff-toolkit/issues/1215#issuecomment-1078446482 + - cairo=1.16.0=*_1010 - xmltodict # Test-only/optional/dev - pytest @@ -28,6 +30,7 @@ dependencies: - openeye-toolkits - mdtraj - cachetools + - cached-property - black - isort - pyyaml @@ -35,7 +38,7 @@ dependencies: - bson - msgpack-python - qcelemental - - qcportal + - qcportal >=0.15 - qcengine - mdtraj # Typing