CUDA-accelerated ASE D3 calculator #95

	name: python unit tests
	on:
	pull_request:
	branches: [main]
	workflow_dispatch:

	jobs:
	pytest-container:
	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v4
	- uses: actions/setup-python@v5
	with:
	python-version: "3.9"
	cache: "pip"
	cache-dependency-path: pyproject.toml

	- name: Install dependencies
	run: \|
	pip install torch==2.2.2 --index-url https://download.pytorch.org/whl/cpu
	pip install '.[test]'

	- name: Pytest install
	run: \|
	pip install pytest

	- name: Run unit test
	run: \|
	pytest tests/unit_tests

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