feat: add stout qm9, zinc and pubchem evals #31

	name: CI

	on:
	push:
	branches: [main, refactor_namer]
	pull_request:
	branches: ["**"]

	concurrency:
	group: ${{ github.workflow }}-${{ github.ref }}
	cancel-in-progress: true

	jobs:
	lint:
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v4
	- uses: actions/setup-python@v5
	with:
	python-version: "3.12"
	- name: Install ruff
	run: pip install "ruff==0.6.9"
	- name: Ruff check
	run: ruff check src/bluenamer
	- name: Ruff format check
	run: ruff format --check src/bluenamer

	test:
	runs-on: ubuntu-latest
	strategy:
	fail-fast: false
	matrix:
	python-version: ["3.10", "3.11", "3.12"]
	steps:
	- uses: actions/checkout@v4

	- uses: actions/setup-python@v5
	with:
	python-version: ${{ matrix.python-version }}
	cache: pip

	- name: Set up JDK (for OPSIN)
	uses: actions/setup-java@v4
	with:
	distribution: temurin
	java-version: "17"

	- name: Install package
	run: \|
	python -m pip install --upgrade pip
	pip install -e ".[dev]"

	- name: Run fast tests
	run: \|
	pytest -m "not slow and not dataset" \
	--maxfail=20 \
	--durations=20

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