CI #96

	name: "CI"
	on:
	pull_request:
	branches:
	- main
	push:
	branches:
	- main
	schedule:
	# At 07:00 UTC on Monday and Thursday.
	- cron: "0 7 * * *"
	workflow_dispatch:

	defaults:
	run:
	shell: bash -leo pipefail {0}

	jobs:
	tests:
	runs-on: ${{ matrix.os}}
	name: "💻-${{matrix.os }} 🐍-${{ matrix.python-version }}"
	strategy:
	fail-fast: false
	matrix:
	os: ["ubuntu-latest", "macos-latest", "macos-13"]
	python-version:
	- "3.9"
	- "3.10"
	- "3.11"
	- "3.12"
	steps:
	- uses: actions/checkout@v4
	with:
	fetch-depth: 0

	- name: "Setup Micromamba"
	uses: mamba-org/setup-micromamba@v1
	with:
	environment-file: environment.yml
	environment-name: openfe_analysis_env
	cache-environment: true
	cache-downloads: true
	create-args: >-
	python=${{ matrix.python-version }}
	init-shell: bash

	- name: "Install"
	run: \|
	python -m pip install --no-deps .

	- name: "Restore pooch test data cache"
	id: cache-testdata-restore
	uses: actions/cache/restore@v3
	with:
	path: \|
	~/.cache/openfe_analysis/
	key: ${{ runner.os }}

	- name: "Test imports"
	run: \|
	python -Ic "import openfe_analysis; print(openfe_analysis.__version__)"

	- name: "Run tests"
	run: \|
	pytest -n auto -v --cov=openfe_analysis --cov-report=xml --durations=10

	- name: "Save pooch test data cache"
	id: cache-testdata-save
	uses: actions/cache/save@v3
	with:
	path: \|
	~/.cache/openfe_analysis/
	key: ${{ runner.os }}

	- name: codecov
	if: ${{ github.repository == 'OpenFreeEnergy/openfe_analysis'
	&& github.event_name == 'pull_request' }}
	uses: codecov/codecov-action@v4
	with:
	token: ${{ secrets.CODECOV_TOKEN }}
	file: coverage.xml
	fail_ci_if_error: false
	verbose: true

Provide feedback