diff --git a/devtools/conda-envs/psi-nightly.yaml b/devtools/conda-envs/psi-nightly.yaml index 099029b2f..aa4452464 100644 --- a/devtools/conda-envs/psi-nightly.yaml +++ b/devtools/conda-envs/psi-nightly.yaml @@ -11,8 +11,8 @@ dependencies: - pyyaml - py-cpuinfo - psutil - - qcelemental >=0.2.1 - - pydantic >=0.18.1 + - qcelemental >=0.3.0 + - pydantic >=0.20.0 # Testing - pytest diff --git a/devtools/conda-envs/psi.yaml b/devtools/conda-envs/psi.yaml index 9e1cad99e..a25d94140 100644 --- a/devtools/conda-envs/psi.yaml +++ b/devtools/conda-envs/psi.yaml @@ -11,8 +11,8 @@ dependencies: - pyyaml - py-cpuinfo - psutil - - qcelemental >=0.2.6 - - pydantic >=0.18.1 + - qcelemental >=0.3.0 + - pydantic >=0.20.0 # Testing - pytest diff --git a/devtools/conda-envs/rdkit.yaml b/devtools/conda-envs/rdkit.yaml index f53b6d109..f089f8223 100644 --- a/devtools/conda-envs/rdkit.yaml +++ b/devtools/conda-envs/rdkit.yaml @@ -10,8 +10,8 @@ dependencies: - pyyaml - py-cpuinfo - psutil - - qcelemental >=0.2.6 - - pydantic >=0.18.1 + - qcelemental >=0.3.0 + - pydantic >=0.20.0 # Testing - pytest diff --git a/devtools/conda-envs/torchani.yaml b/devtools/conda-envs/torchani.yaml index 7e495660b..31bf19201 100644 --- a/devtools/conda-envs/torchani.yaml +++ b/devtools/conda-envs/torchani.yaml @@ -11,8 +11,8 @@ dependencies: - pyyaml - py-cpuinfo - psutil - - qcelemental >=0.2.6 - - pydantic >=0.18.1 + - qcelemental >=0.3.0 + - pydantic >=0.20.0 # Testing - pytest diff --git a/docs/requirements.yml b/docs/requirements.yml index 5db57256f..f6a1e8095 100644 --- a/docs/requirements.yml +++ b/docs/requirements.yml @@ -6,6 +6,8 @@ dependencies: - python=3 - sphinx - sphinx_rtd_theme + - sphinx-automodapi + - graphviz # QCEngine depends - numpy diff --git a/setup.py b/setup.py index cf6423b51..dcb656734 100644 --- a/setup.py +++ b/setup.py @@ -24,7 +24,7 @@ 'pyyaml', 'py-cpuinfo', 'psutil', - 'qcelemental>=0.2.6', + 'qcelemental>=0.3.0', 'pydantic>=0.18.0' ], entry_points={"console_scripts": [