Refactor to run all calculations in separate directories #91

	name: Update CITATION.cff

	on:
	pull_request:
	branches:
	- master
	paths:
	- CITATION.cff
	- pyproject.toml

	jobs:
	update-cff:
	runs-on: ubuntu-latest
	steps:
	- name: Checkout
	uses: actions/checkout@v3
	- name: Get branch name
	id: branch-name
	uses: tj-actions/branch-names@v8
	- name: Set up Python
	uses: actions/setup-python@v4
	with:
	python-version: '3.10'
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install -e .
	pip install pyyaml
	- name: Update CITATION.cff
	run: \|
	python bin/update_cff.py
	- name: Validate CITATION.cff
	uses: dieghernan/cff-validator@v3
	with:
	install-r: true
	- name: Commit changes
	uses: test-room-7/action-update-file@v1
	with:
	branch: ${{ steps.branch-name.outputs.current_branch }}
	file-path: 'CITATION.cff'
	commit-msg: 'Update CITATION.cff'
	github-token: ${{ secrets.GITHUB_TOKEN }}

Provide feedback