CI-CD

Update openmmdlanalysis.py #939

	name: CI-CD

	on: [push]

	jobs:
	build-linux:
	runs-on: ubuntu-latest
	strategy:
	max-parallel: 5
	matrix:
	python-version: ['3.10', '3.11', '3.12']

	steps:
	- uses: actions/checkout@v3

	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v3
	with:
	python-version: ${{ matrix.python-version }}

	- name: Add conda to system path
	run: \|
	# $CONDA is an environment variable pointing to the root of the miniconda directory
	echo $CONDA/bin >> $GITHUB_PATH

	- name: Install dependencies
	run: \|
	conda install -y python=${{ matrix.python-version }}
	conda env update --file environment.yml --name base

	- name: Install package and its entry points
	run: \|
	pip install .

	- name: Install linter and formatter
	run: \|
	python -m pip install shyaml flake8 black black-nb flake8-nb

	- name: Run black formatter
	run: \|
	black -l 99 .

	- name: Install pytest and run tests
	run: \|
	pip install pytest pytest-cov
	pytest -vv --cov=openmmdl --cov-report=xml --cov-report=html --color=yes openmmdl/tests/

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