From 3d251ed273d936442ef08aa1b9df9e01eb020d05 Mon Sep 17 00:00:00 2001
From: Lily Wang <31115101+lilyminium@users.noreply.github.com>
Date: Tue, 16 Jul 2024 17:10:20 +1000
Subject: [PATCH] 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    | 12 ++++++++----
 devtools/conda-envs/nightly.yaml |  1 +
 2 files changed, 9 insertions(+), 4 deletions(-)

diff --git a/.github/workflows/dev-ci.yaml b/.github/workflows/dev-ci.yaml
index 691f259..e8c77e3 100644
--- a/.github/workflows/dev-ci.yaml
+++ b/.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/
diff --git a/devtools/conda-envs/nightly.yaml b/devtools/conda-envs/nightly.yaml
index 5af1978..0cdad8f 100644
--- a/devtools/conda-envs/nightly.yaml
+++ b/devtools/conda-envs/nightly.yaml
@@ -37,6 +37,7 @@ dependencies:
   # other openff dependencies
   - cachetools
   - cached-property
+  - importlib_resources
   - mdtraj
   - openff-amber-ff-ports
   - openmm