add combustion results; design rank import mechanism #26

	name: Python Test

	on: [push, pull_request]

	jobs:
	test:
	runs-on: ubuntu-latest

	strategy:
	matrix:
	python-version: ["3.9", "3.10", "3.11"]

	steps:
	- name: Checkout repository
	uses: actions/checkout@v2

	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v2
	with:
	python-version: ${{ matrix.python-version }}

	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install torch==2.2.0
	bash scripts/install-pyg.sh
	bash scripts/install-dgl.sh
	pip install .[test]
	pip install mace-torch
	pip install "pynanoflann@git+https://github.com/dwastberg/pynanoflann#egg=af434039ae14bedcbb838a7808924d6689274168"

	- name: Run tests
	run: \|
	pytest tests

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