Bump OpenFF stack

.github/workflows/cookbook_preproc.yaml

@@ -92,6 +92,7 @@ jobs:
         uses: mamba-org/setup-micromamba@v2
         with:
           environment-file: devtools/conda-envs/examples_env.yml
+          cache-downloads: true
 
       - name: Pre-process and execute notebooks
         run: |

devtools/conda-envs/examples_env.yml

@@ -3,15 +3,15 @@ channels:
   - conda-forge
 dependencies:
   # Examples
-  - openff-toolkit-examples>=0.16.9
-  - openff-interchange ~=0.4.2
-  - openff-nagl
+  - openff-toolkit-examples =0.18
+  - openff-interchange =0.5
+  - openff-nagl =0.5
   # openff-fragmenter
   # Runtime
   - pip
   - python=3.11
-  - jupyterlab>=4
-  - ipywidgets>=8
+  - jupyterlab
+  - ipywidgets
   # Cookbook
   - gitpython
   - nbconvert
@@ -20,19 +20,20 @@ dependencies:
   - packaging
   # Other deps
   - openff-qcsubmit
-  - openmmforcefields ~=0.14.2
+  - openmmforcefields =0.15
   - gromacs >=2021=nompi*
   - lammps
   - rich
   - jax
-  - parmed
-  - nglview ~=3.0.6
-  - psi4
-  # NAGL training dependencies
+  - parmed >=4.3.1
+  - nglview
+  - psi4 =1.9.1
+  - libint =2.9
+  # NAGL training dependencies - constraints are just to help solver
   # hopefully will be replaced by openff-nagl-training in future
-  - pyarrow
-  - openff-recharge
+  - pyarrow =17
+  - openff-recharge =0.5.3
   - dask-jobqueue
-  - dgl
+  - dgl =2.3.0
   # torchdata.datapipes was removed in 0.10.0
   - torchdata<=0.9.0