pypi-publish #8

	name: pypi-publish

	on:
	workflow_dispatch:
	inputs:
	publishToAnaconda:
	description: 'Publish to PyPI?'
	required: true
	default: 'no'

	permissions:
	contents: read

	jobs:
	pypi-publish:
	runs-on: ubuntu-latest
	environment:
	name: pypi
	url: https://pypi.org/project/xdatbus/
	permissions:
	id-token: write

	steps:
	- name: Checkout code
	uses: actions/checkout@v4

	- name: Set up Python
	uses: actions/setup-python@v4
	with:
	python-version: '3.11'

	- name: Install Miniconda
	uses: conda-incubator/setup-miniconda@v2
	with:
	auto-activate-base: true

	- name: Install PLUMED
	run: \|
	conda install -c conda-forge plumed

	- name: Install Poetry
	run: \|
	pipx install poetry

	- name: Configure Poetry
	run: \|
	poetry config virtualenvs.create false

	- name: Install dependencies with Poetry
	run: \|
	poetry install

	- name: Run tests
	run: poetry run pytest --cov=xdatbus

	- name: Upload coverage reports to Codecov
	uses: codecov/codecov-action@v3
	with:
	token: ${{ secrets.CODECOV_TOKEN }}

	- name: Build package with Poetry
	run: poetry build

	- name: Publish package to PyPI
	uses: pypa/gh-action-pypi-publish@release/v1

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