diff --git a/devtools/conda-envs/examples_env.yml b/devtools/conda-envs/examples_env.yml index 222a105b3..966a3522f 100644 --- a/devtools/conda-envs/examples_env.yml +++ b/devtools/conda-envs/examples_env.yml @@ -1,27 +1,28 @@ name: openff-docs-examples channels: - - conda-forge + - conda-forge dependencies: - - pip - - python=3.10 - - jupyterlab>=4 - - ipywidgets>=8 - # Cookbook - - gitpython - - nbconvert - - nbformat - - requests - - packaging - # Examples - - openff-toolkit-examples>=0.16.0 - - openff-interchange ~=0.3.28 - - openff-nagl - # - openff-fragmenter - # - openff-qcsubmit - - openmmforcefields =0.14 - - gromacs >=2021=nompi* - - lammps - - rich - - jax - - parmed <4 - - nglview ~=3.0.6 + - pip + - python=3.10 + - jupyterlab>=4 + - ipywidgets>=8 + # Cookbook + - gitpython + - nbconvert + - nbformat + - requests + - packaging + # Examples + - openff-toolkit-examples>=0.16.6 + - openff-interchange ~=0.4.0 + - openff-nagl + # - openff-fragmenter + - openff-qcsubmit + - openmmforcefields =0.14 + - gromacs >=2021=nompi* + - lammps + - rich + - jax + - parmed <4 + - nglview ~=3.0.6 + - psi4 diff --git a/devtools/conda-envs/rtd_env.yml b/devtools/conda-envs/rtd_env.yml index 01c8fb89d..bd8c42c2b 100644 --- a/devtools/conda-envs/rtd_env.yml +++ b/devtools/conda-envs/rtd_env.yml @@ -4,6 +4,7 @@ channels: dependencies: - pip # readthedocs dependencies + - python<3.13 # Python>=3.13 breaks Sphinx<6.2 - sphinx>=5,<7 - myst-parser>=1,<2 # - myst-nb