switch nightly tests to cron schedule only

.github/workflows/dev-ci.yaml

@@ -0,0 +1,69 @@
+name: Dev version CI
+on:
+ schedule:
+ # weekly tests, Sundays at midnight
+ - cron: "0 0 * * 0"
+ workflow_dispatch:
+
+concurrency:
+ # Specific group naming so CI is only cancelled
+ # within same PR or on merge to main
+ group: ${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}
+ cancel-in-progress: true
+
+defaults:
+ run:
+ shell: bash -l {0}
+
+jobs:
+ nightly_check:
+ name: Nightly check
+ runs-on: ${{ matrix.os }}
+ strategy:
+ fail-fast: false
+ matrix:
+ os: [macOS-latest, ubuntu-latest]
+ python-version: ["3.10", "3.11", "3.12"]
+ exclude:
+ # mdtraj currently doesn't support MacOS py3.12
+ - os: "macOS-latest"
+ python-version: "3.12"
+
+
+ steps:
+ - uses: actions/checkout@v3
+
+ - name: Build information
+ run: |
+ uname -a
+ df -h
+ ulimit -a
+
+ - name: Install environment
+ uses: mamba-org/setup-micromamba@v1
+ with:
+ environment-file: devtools/conda-envs/nightly.yaml
+ create-args: >-
+ python=${{ matrix.python-version }}
+ pydantic=2
+ 
+ - name: Install nightly pytorch-lightning and DGL
+ run: |
+ python -m pip install --pre dgl -f https://data.dgl.ai/wheels-test/repo.html
+ python -m pip install --pre dglgo -f https://data.dgl.ai/wheels-test/repo.html
+ python -m pip install https:/Lightning-AI/lightning/archive/refs/heads/master.zip -U 
+
+ - name: Install package
+ run: |
+ python -m pip install . --no-deps
+
+ - name: Python information
+ run: |
+ which python
+ conda info
+ conda list
+
+ - 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/
+

.github/workflows/gh-ci.yaml

@@ -111,57 +111,6 @@ jobs:
  verbose: True
  # name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
 
- nightly_check:
- name: Nightly check
- runs-on: ${{ matrix.os }}
- strategy:
- fail-fast: false
- matrix:
- os: [macOS-latest, ubuntu-latest]
- python-version: ["3.10", "3.11", "3.12"]
- exclude:
- # mdtraj currently doesn't support MacOS py3.12
- - os: "macOS-latest"
- python-version: "3.12"
-
-
- steps:
- - uses: actions/checkout@v3
-
- - name: Build information
- run: |
- uname -a
- df -h
- ulimit -a
-
- - name: Install environment
- uses: mamba-org/setup-micromamba@v1
- with:
- environment-file: devtools/conda-envs/nightly.yaml
- create-args: >-
- python=${{ matrix.python-version }}
- pydantic=2
- 
- - name: Install nightly pytorch-lightning and DGL
- run: |
- python -m pip install --pre dgl -f https://data.dgl.ai/wheels-test/repo.html
- python -m pip install --pre dglgo -f https://data.dgl.ai/wheels-test/repo.html
- python -m pip install https:/Lightning-AI/lightning/archive/refs/heads/master.zip -U 
-
- - name: Install package
- run: |
- python -m pip install . --no-deps
-
- - name: Python information
- run: |
- which python
- conda info
- conda list
-
- - 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/
-
 
  pylint_check:
  runs-on: ubuntu-latest