Added support for connectivity to soap_turbo #116

	name: HybridMD Python Package

	on:
	push:
	workflow_dispatch:

	env:
	root-directory: "${{github.workspace}}/hybrid_md_package"

	jobs:
	install-and-run-pytest:
	runs-on: ubuntu-latest
	strategy:
	matrix:
	python-version: [ "3.7", "3.8", "3.9", "3.10"]
	max-parallel: 5

	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: pip install pytest pytest-cov numpy ase quippy-ase click pyyaml

	- name: Install package
	working-directory: ${{env.root-directory}}
	run: pip install .

	- name: Pytest + Coverage
	working-directory: ${{env.root-directory}}
	run: \|
	pytest -v --cov=hybrid_md --cov-report term --cov-report term-missing --cov-report xml

	- uses: codecov/codecov-action@v3
	with:
	name: hybrid-md unittests
	fail_ci_if_error: true
	files: coverage.xml

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