Merge pull request #385 from Electrostatics/nathan/384 #306

	# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
	# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions

	name: Python package

	on:
	push:
	branches: [master]
	pull_request:
	branches: [master]

	jobs:
	build:
	runs-on: ubuntu-latest
	if: "!contains(github.event.head_commit.message, 'noci')"
	strategy:
	matrix:
	python-version: ["3.8", "3.9", "3.10", "3.11"]

	steps:
	- uses: actions/checkout@v2
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v2
	with:
	python-version: ${{ matrix.python-version }}
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install black flake8 pytest coverage
	pip install -e .
	pip install -e .[test]
	- name: Lint with flake8
	run: \|
	# stop the build if there are Python syntax errors or undefined names
	flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics
	# exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide
	flake8 . --count --exit-zero --statistics
	- name: Test with pytest and coverage
	run: \|
	coverage run --source=pdb2pqr -m pytest
	coverage report -m \| tee coverage.txt
	coverage html
	- name: Upload coverage results
	run: bash <(curl -s https://codecov.io/bash)
	- name: Store coverage text results
	uses: actions/upload-artifact@v2
	with:
	name: coverage-text
	path: coverage.txt
	- name: Store coverage HTML results
	uses: actions/upload-artifact@v2
	with:
	name: coverage-html
	path: htmlcov/*

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