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dev-ci.yaml
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name: Upstream nightly 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: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [macOS-12, ubuntu-latest]
python-version: ["3.10", "3.11", "3.12"]
steps:
- uses: actions/checkout@v4
- name: Build information
run: |
uname -a
df -h
ulimit -a
- name: Install environment
uses: mamba-org/setup-micromamba@v1
with:
environment-file: devtools/conda-envs/nightly.yaml
create-args: >-
python=${{ matrix.python-version }}
pydantic=2
- name: Install nightly pytorch-lightning and DGL
run: |
python -m pip install --pre torch torchvision torchaudio --index-url https://download.pytorch.org/whl/nightly/cpu
python -m pip install https://github.com/Lightning-AI/lightning/archive/refs/heads/master.zip -U
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
- name: Check Python environment
run: |
pip list
- name: Import DGL
run: |
python -c "import dgl"
- 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/