Wrap atom coordinates in ase.Atoms preprocessing #1125

	name: tests

	on:
	workflow_call:
	workflow_dispatch:
	pull_request:
	branches: [main]
	push:
	branches: [main]
	merge_group:

	jobs:
	test:
	runs-on: ubuntu-latest # TODO add macos tests too
	strategy:
	max-parallel: 10
	matrix:
	python_version: ['3.9', '3.11']

	steps:
	- uses: actions/checkout@v4
	- name: Set up Python ${{ matrix.python_version }}
	uses: actions/setup-python@v5
	with:
	python-version: ${{ matrix.python_version }}

	- name: Cache pip
	uses: actions/cache@v4
	with:
	path: ~/.cache/pip
	key: ${{ runner.os }}-pip-${{ hashFiles('requirements.txt') }}
	restore-keys: \|
	${{ runner.os }}-pip-
	${{ runner.os }}-

	- name: Install core dependencies and package
	run: \|
	python -m pip install --upgrade pip
	if [ -f packages/requirements.txt ]; then pip install -r packages/requirements.txt; fi
	if [ -f packages/requirements-optional.txt ]; then pip install -r packages/requirements-optional.txt; fi
	pip install -e packages/fairchem-core[dev]
	pip install -e packages/fairchem-data-oc[dev]
	pip install -e packages/fairchem-demo-ocpapi[dev]
	pip install -e packages/fairchem-applications-cattsunami

	- name: Test core with pytest
	run: \|
	pytest tests -vv --ignore=tests/demo/ocpapi/tests/integration/ --cov-report=xml --cov=fairchem -c ./packages/fairchem-core/pyproject.toml

	- if: ${{ matrix.python_version == '3.11' }}
	name: codecov-report
	uses: codecov/codecov-action@v4
	with:
	fail_ci_if_error: false # optional (default = false)
	files: ./coverage.xml
	token: ${{ secrets.CODECOV_TOKEN }} # required
	verbose: true # optional (default = false)

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