Tests

fix: if systre call fails, featurization should still work #948

	name: Tests

	on: [push, pull_request]

	jobs:
	# docs:
	# name: Documentation
	# runs-on: ubuntu-latest
	# strategy:
	# matrix:
	# python-version: ["3.8"]
	# 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: pip install tox
	# - name: Check RST conformity with doc8
	# run: tox -e doc8
	# - name: Check docstring coverage
	# run: tox -e docstr-coverage
	# - name: Check documentation build with Sphinx
	# run: tox -e docs
	tests:
	name: Tests
	runs-on: ${{ matrix.os }}
	defaults:
	run:
	shell: bash -l {0}
	if: github.event_name != 'pull_request' \|\| !github.event.pull_request.draft
	strategy:
	matrix:
	os: [ubuntu-latest]
	python-version: ["3.8"]
	steps:
	- uses: actions/checkout@v2
	- name: Setup Mambaforge
	uses: conda-incubator/setup-miniconda@v2
	with:
	miniforge-variant: Mambaforge
	miniforge-version: latest
	use-mamba: true
	python-version: ${{ matrix.python-version }}
	conda-channels: anaconda, conda-forge
	activate-environment: test
	- name: Install dependencies
	run: \|
	sudo apt-get install --fix-missing libcgal-dev
	mamba install raspa2 zeopp-lsmo openbabel -c conda-forge -y
	pip install pytest tox==3.25.1 dscribe pytest-xdist # we need dscribe for the SBU test
	pip install -e ".[all]"
	- name: Check for lint
	run: \|
	tox -e lint
	tox -e flake8
	- name: Test with pytest
	run: \|
	export RASPA_DIR=/usr/share/miniconda3/envs/test
	pytest -n "auto" --dist="loadgroup" tests/

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