Update Averaging over Groups of Molecules for Conformational Entropy #229

	name: CodeEntropy CI

	on:
	push:
	branches: [main]
	pull_request:
	schedule:
	- cron: '0 8 * * 1'
	workflow_dispatch:

	jobs:
	tests:
	name: Run tests
	runs-on: ${{ matrix.os }}
	strategy:
	matrix:
	os: [ubuntu-24.04, windows-2025, macos-15]
	python-version: ["3.11", "3.12", "3.13", "3.14"]
	steps:
	- name: Checkout repo
	uses: actions/checkout@v6

	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/[email protected]
	with:
	python-version: ${{ matrix.python-version }}

	- name: Install CodeEntropy and its testing dependencies
	run: pip install -e .[testing]

	- name: Run test suite
	run: pytest --cov CodeEntropy --cov-report term-missing --cov-append .

	- name: Coveralls GitHub Action
	uses: coverallsapp/[email protected]
	with:
	github-token: ${{ secrets.GITHUB_TOKEN }}

	docs:
	runs-on: ubuntu-latest
	timeout-minutes: 15
	steps:
	- uses: actions/checkout@v6
	- name: Set up Python 3.14
	uses: actions/[email protected]
	with:
	python-version: 3.14
	- name: Install python dependencies
	run: \|
	pip install --upgrade pip
	pip install -e .[docs]
	- name: Build docs
	run: cd docs && make

	pre-commit:
	runs-on: ubuntu-24.04
	timeout-minutes: 15
	steps:
	- uses: actions/checkout@v6
	- name: Set up Python 3.14
	uses: actions/[email protected]
	with:
	python-version: 3.14
	- name: Install python dependencies
	run: \|
	pip install --upgrade pip
	pip install -e .[pre-commit,docs,testing]
	- name: Run pre-commit
	run: \|
	pre-commit install
	pre-commit run --all-files \|\| ( git status --short ; git diff ; exit 1 )

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