Merge pull request #24 from hgb-bin-proteomics/develop #7

	# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
	# Reference workflow provided by (c) GitHub
	# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions

	name: msannika_spectral_library_xi

	on:
	push:
	branches: [ master ]
	pull_request:
	branches: [ master ]

	jobs:
	build:

	runs-on: ubuntu-22.04
	strategy:
	matrix:
	python-version: ['3.7', '3.8', '3.9', '3.10', '3.11', '3.12']

	steps:
	- uses: actions/checkout@v3
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v3
	with:
	python-version: ${{ matrix.python-version }}
	- name: Copy scripts and data to "/tests"
	run: \|
	rm -f config.py
	cp data/config_xi.py .
	mv config_xi.py config.py
	cp create_spectral_library.py tests
	cp config.py tests
	cp data/XLpeplib_Beveridge_QEx-HFX_DSS_R1.mgf .
	cp data/example_CSM_xiFDR2.2.1.csv .
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	python -m pip install flake8 pytest
	if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
	- name: Lint with flake8
	run: \|
	# stop the build if there are Python syntax errors or undefined names
	flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics
	# exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide
	flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics
	- name: Test with pytest
	run: \|
	pytest tests/tests-xi.py

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