Fix dev CI (#120)

* indent

* install importlib resources

* pin pytorch < 2.2

* pin pytorch >=2.3

* pin cuda??

* pin pytorch again

* specify pin further

* avoid post?

* remove pytorch-nightly channel

* add back pytorch-nightly

* fail to deal with incompatibility for now

.github/workflows/dev-ci.yaml

@@ -24,10 +24,10 @@ jobs:
         matrix:
           os: [macOS-12, ubuntu-latest]
           python-version: ["3.10", "3.11", "3.12"]
-        exclude:
-          # mdtraj currently doesn't support MacOS py3.12
-          - os: "macOS-latest"
-            python-version: "3.12"
+          exclude:
+            # mdtraj currently doesn't support MacOS py3.12
+            - os: "macOS-latest"
+              python-version: "3.12"
 
 
     steps:
@@ -63,6 +63,10 @@ jobs:
         conda info
         conda list
 
+    - name: Import DGL
+      run: |
+        python -c "import dgl"
+
     - name: Run tests
       run: |
         python -m pytest -n 4 -v --cov=openff/nagl --cov-config=setup.cfg --cov-append --cov-report=xml --color=yes openff/nagl/

devtools/conda-envs/nightly.yaml

@@ -37,6 +37,7 @@ dependencies:
   # other openff dependencies
   - cachetools
   - cached-property
+  - importlib_resources
   - mdtraj
   - openff-amber-ff-ports
   - openmm