update ci pileline #327

	name: Python ci

	on:
	push:
	branches:
	- main

	env:
	DRY_RUN: false

	jobs:
	build-linux:
	runs-on: ubuntu-latest
	strategy:
	matrix:
	python-version: ['3.9', '3.10', '3.11', '3.12', '3.13']

	steps:
	- uses: actions/checkout@v4
	- name: Set up Python ${{ matrix.python-version}}
	uses: actions/setup-python@v5
	with:
	python-version: ${{ matrix.python-version}}

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

	- name: Print versions
	run: \|
	echo "Python version:"
	python --version
	echo "Black version:"
	poetry run black --version

	- name: Run tests
	run: poetry run pytest --cov

	- name: Upload coverage reports to Codecov
	uses: codecov/codecov-action@v3

	- name: Run formatting
	run: \|
	poetry run black chemotools
	git diff --exit-code

	- name: Run linting
	run: \|
	poetry run black --check chemotools
	poetry run flake8 chemotools

	- name: Python build package
	run: \|
	python -m build

Provide feedback