Neutralise systems with formal charges from the PDB #58

	name: PDBFixer Continuous Integration Workflow

	on:
	push:
	branches:
	- master
	pull_request:
	branches:
	- master

	jobs:
	build_test:
	runs-on: ubuntu-latest
	strategy:
	matrix:
	python-version: ["3.10", "3.11", "3.12"]

	steps:
	- uses: actions/checkout@v2
	name: "Checkout the source code"

	- uses: conda-incubator/setup-miniconda@v2
	name: "Prepare base dependencies"
	with:
	python-version: ${{ matrix.python-version }}
	activate-environment: pdbfixer-dev
	environment-file: devtools/environment-dev.yaml

	- name: "Install PDBFixer"
	shell: bash -l {0}
	run: \|
	which python
	python -V
	pip install -e .
	pytest -vs pdbfixer

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