Merge pull request #66 from openforcefield/interchange-0-4-0

Update Interchange to 0.4.0

Author: Yoshanuikabundi

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

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