Add calculator test #10

	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 dgl -U -f https://data.dgl.ai/wheels/torch-2.3/cu121/repo.html
	pip install .[test]
	pip install mace-torch

	- name: Run tests
	run: \|
	pytest tests

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