more tweaks to alignment output #62

	---
	name: test

	# -----------------
	# Control variables (GitHub Secrets)
	# -----------------
	#
	# (n/a)
	#
	# -----------
	# Environment (GitHub Environments)
	# -----------
	#
	# Environment (n/a)

	on:
	- push

	jobs:
	static-analysis:
	runs-on: ubuntu-latest
	steps:
	- name: Checkout
	uses: actions/checkout@v3
	- name: Set up Python
	uses: actions/setup-python@v3
	with:
	python-version: '3.10'
	- name: Pre-commit check
	run: \|
	pip install --upgrade pip
	pip install .[dev]
	pre-commit run --all-files

	command-help:
	runs-on: ubuntu-latest
	needs:
	- static-analysis
	steps:
	- name: Checkout
	uses: actions/checkout@v3
	- name: Set up Python
	uses: actions/setup-python@v3
	with:
	python-version: '3.10'
	- name: Test command help
	run: \|
	pip install --upgrade pip
	pip install .
	python -m xchemalign.copier -h
	python -m xchemalign.collator -h
	python -m xchemalign.aligner -h

	test-data:
	runs-on: ubuntu-latest
	needs:
	- command-help
	steps:
	- name: Checkout
	uses: actions/checkout@v3
	- name: Set up Python
	uses: actions/setup-python@v3
	with:
	python-version: '3.10'
	- name: Test test-data config
	run: \|
	pip install --upgrade pip
	pip install .
	mkdir -p test-data/outputs/upload_1
	python -m xchemalign.collator -c test-data/config.yaml
	python -m xchemalign.aligner -d test-data/outputs/upload_1 -x test-data/xtalforms.yaml

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