add pytest for the write_cube method in Cp2kCube class #172

	name: Publish Python distributions to PyPI

	on: [push]

	jobs:
	pypi-publish:
	name: Upload release to PyPI
	runs-on: ubuntu-latest
	environment:
	name: pypi
	url: https://pypi.org/p/cp2kdata
	permissions:
	id-token: write # IMPORTANT: this permission is mandatory for trusted publishing
	steps:
	# retrieve your distributions here
	- uses: actions/checkout@master

	- name: Set up Python 3.9
	uses: actions/setup-python@master
	with:
	python-version: 3.9

	- name: Install pypa/build
	run: >-
	python -m
	pip install
	build
	--user

	- name: Build a binary wheel and a source tarball
	run: >-
	python -m
	build
	--sdist
	--wheel
	--outdir dist/
	.

	- name: Publish package distributions to PyPI
	if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags')
	uses: pypa/gh-action-pypi-publish@release/v1

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