Add neighbors in shell #100

	name: pyscal-testing

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

	jobs:
	build:
	strategy:
	matrix:
	os: [ubuntu-latest, macos-13, windows-latest]
	python-version: [3.9, '3.10', '3.11']

	runs-on: ${{ matrix.os }}
	steps:
	- uses: actions/checkout@v2
	- name: Cache conda
	uses: actions/cache@v1
	env:
	# Increase this value to reset cache if etc/example-environment.yml has not changed
	CACHE_NUMBER: 0
	with:
	path: ~/conda_pkgs_dir
	key:
	${{ runner.os }}-conda-${{ env.CACHE_NUMBER }}-${{
	hashFiles('.ci_support/environment.yml') }}
	- uses: conda-incubator/setup-miniconda@v2
	with:
	activate-environment: pyscal-test
	channel-priority: strict
	environment-file: .ci_support/environment.yml
	python-version: ${{ matrix.python-version }}
	use-only-tar-bz2: true # IMPORTANT: This needs to be set for caching to work properly!

	- name: run tests
	shell: bash -l {0}
	run: \|
	pip install -e .
	pip install pytest
	pip install pytest-cov
	pytest --cov-report=xml --cov=pyscal tests/

	- name: Upload coverage to Codecov
	uses: codecov/codecov-action@v1
	with:
	file: coverage.xml
	name: codecov-umbrella
	fail_ci_if_error: false

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