Parse precursor charge specified in PEPMASS (override CHARGE) #481

	name: tests

	on:
	push:
	paths:
	- '**.py'
	- '.github/workflows/pythonpackage.yml'
	pull_request:
	paths:
	- '**.py'
	- '.github/workflows/pythonpackage.yml'

	jobs:
	build:

	runs-on: 'ubuntu-20.04'
	strategy:
	matrix:
	python-version: ['3.6', '3.7', '3.8', '3.9', '3.10', '3.11', '3.12']

	steps:
	- uses: actions/checkout@v4
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v5
	with:
	python-version: ${{ matrix.python-version }}
	- name: Install dependencies
	run: \|
	sudo apt-get update
	sudo apt-get install libhdf5-serial-dev
	python -m pip install --upgrade pip
	pip install numpy
	pip install -r test-requirements.txt
	pip install .
	- name: Run the tests
	run: \|
	cd tests; find . -name 'test_*.py' -print0 \| xargs -0 -n1 python

	tests-py2:
	runs-on: 'ubuntu-20.04'
	container:
	image: python:2.7.18-buster
	steps:
	- uses: actions/checkout@v4
	- name: Install dependencies
	run: \|
	apt-get update
	apt-get install -y --no-install-recommends libhdf5-serial-dev
	python -m pip install --upgrade pip
	pip install numpy
	pip install -r test-requirements.txt
	- name: Print Python version
	run: python -V
	- name: Run the tests
	run: \|
	cd tests; find . -name 'test_*.py' -print0 \| xargs -0 -n1 env PYTHONPATH=.. python

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