Add metabolite analysis #51

	name: Python package

	on:
	push:
	branches:
	- main
	pull_request:
	branches:
	- main

	jobs:

	build:
	name: Build for (${{ matrix.python-version }}, ${{ matrix.os }})
	runs-on: ${{ matrix.os }}
	strategy:
	fail-fast: false
	matrix:
	os: ['ubuntu-latest', 'windows-latest']
	python-version: ['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: Python info
	shell: bash -e {0}
	run: \|
	which python
	python --version
	- name: Upgrade pip and install dependencies
	run: \|
	python -m pip install --upgrade pip setuptools
	python -m pip install .[dev,publishing]
	- name: Run unit tests
	run: python -m pytest -v
	- name: Verify that we can build the package
	run: python -m build

	lint:
	name: Linting build
	runs-on: ubuntu-latest
	strategy:
	fail-fast: false
	steps:
	- uses: actions/checkout@v3
	- name: Set up Python 3.9
	uses: actions/setup-python@v3
	with:
	python-version: 3.9
	- name: Python info
	shell: bash -e {0}
	run: \|
	which python
	python --version
	- name: Upgrade pip and install dependencies
	run: \|
	python -m pip install --upgrade pip setuptools
	python -m pip install .[dev,publishing]
	- name: Check style against standards using ruff
	run: ruff check .

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