Implementation of SGE interface #143

	name: testing

	on:
	push:
	branches:
	- develop

	pull_request:

	jobs:
	lint:
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v3

	- uses: actions/setup-python@v4
	with:
	python-version: '3.10'
	cache: pip
	cache-dependency-path: pyproject.toml

	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install .[strict,tests,dev]

	- name: Lint
	run: pre-commit run --all-files --show-diff-on-failure

	test:
	runs-on: ubuntu-latest
	strategy:
	matrix:
	python-version: ['3.9', '3.10', '3.11']

	steps:
	- uses: actions/checkout@v3

	- uses: actions/setup-python@v4
	with:
	python-version: ${{ matrix.python-version }}
	cache: pip
	cache-dependency-path: pyproject.toml

	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install .[strict,tests,docs]

	- name: Test
	run: pytest --cov=qtoolkit --cov-report=xml

	- name: Upload coverage to Codecov
	if: matrix.python-version == '3.11'
	uses: codecov/codecov-action@v3
	with:
	token: ${{ secrets.CODECOV_TOKEN }}
	slug: matgenix/qtoolkit

	docs:
	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v3

	- uses: actions/setup-python@v4
	with:
	python-version: '3.11'
	cache: pip
	cache-dependency-path: pyproject.toml

	- name: Install dependencies
	run: \|
	# Required to generate rst files from markdown
	sudo apt install pandoc
	python -m pip install --upgrade pip
	pip install .[docs]

	- name: Build Sphinx docs
	working-directory: doc
	run: \|
	# cannot use sphinx build directly as the makefile handles generation
	# of some rst files
	make html

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