Added support for --molden and --json output specifications in xtb #176

	name: CI

	on:
	push:
	branches: [ main ]
	pull_request:
	branches: [ main ]

	jobs:
	test:
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v2
	- name: Set up Python 3.9
	uses: actions/setup-python@v2
	with:
	python-version: 3.9
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install -r requirements.txt
	- name: Run tests
	run: coverage run setup.py test
	- name: Verify Coverage
	if: github.event_name == 'push'
	uses: codecov/[email protected]
	with:
	token: ${{ secrets.CODECOV_TOKEN }}

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