separate CI jobs for format/lint #1517

	name: CI

	on:
	push:
	branches:
	- "master"
	- "uv"
	pull_request:
	branches:
	- "master"
	- "dev"
	schedule:
	# every two weeks on Monday at 3 am
	- cron: "0 3/336 * * 1"

	jobs:
	test:
	name: Pytest
	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v4

	- name: Install uv
	uses: astral-sh/setup-uv@v5
	with:
	enable-cache: true

	- name: Install the project
	run: \|
	uv sync --all-extras --dev
	uv pip install -e .

	- name: Run tests
	run: \|
	PYTEST_ARGS="--nbval-lax --nbval-current-env --dist loadscope --numprocesses 2"
	PYTEST_IGNORE_T001="--ignore=teachopencadd/talktorials/T001_query_chembl/talktorial.ipynb"
	IGNORE="$PYTEST_IGNORE_T001"

	uv run pytest $PYTEST_ARGS teachopencadd/talktorials/T00{2,3,4,5,6,7,8,9}* $IGNORE

	lint:
	name: Lint
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v4

	- name: Install Python
	uses: actions/setup-python@v5
	with:
	python-version: "3.11"

	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install ruff

	- name: Run Ruff
	run: ruff check --output-format=github .

	format:
	name: Formatting
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v4

	- name: Install Python
	uses: actions/setup-python@v5
	with:
	python-version: "3.11"

	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install ruff

	- name: Run Ruff
	run: ruff --diff --line-length 99

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