Merge branch 'master' into development(calysta) #167

	name: MacroDensity CI

	on:
	pull_request:
	branches:
	- development(calysta)
	- main
	push:
	branches:
	- development(calysta)
	- main

	jobs:

	# qa:
	# runs-on: ubuntu-latest
	# steps:
	# - uses: actions/checkout@v2
	# - uses: pre-commit/[email protected]

	test:
	#needs: qa
	strategy:
	fail-fast: false
	matrix:
	python-version: ["3.8","3.9","3.10","3.11"]
	os: [ubuntu-latest,]

	runs-on: ${{matrix.os}}
	steps:
	- uses: actions/checkout@v3

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

	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install setuptools setuptools_scm wheel
	pip install -r requirements.txt
	pip install pytest
	pip install pytest-cov
	pip install pytest-mpl
	pip install -e .

	- name: Check package versions
	run: \|
	pip show -V pytest
	pip show -V ase
	pip show -V matplotlib

	- name: Run tests
	run: pytest --cov=macrodensity --mpl tests/unit_tests.py --cov-report=xml -v

	- name: Upload coverage to Codecov
	uses: codecov/codecov-action@v3
	with:
	token: ${{ secrets.CODECOV_TOKEN }}
	fail_ci_if_error: true
	verbose: true
	files: ./coverage.xml

Provide feedback