Asfe freesolv #349

	name: "CI"
	on:
	# Allow for workflows to be manuallly triggered
	workflow_dispatch:
	pull_request:
	push:
	branches:
	- main
	- stable
	schedule:
	# At 07:00 UTC on Monday and Thursday.
	- cron: "0 1 * * 0"

	concurrency:
	group: "${{ github.workflow }}-${{ github.ref }}"
	cancel-in-progress: true

	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]
	python-version:
	- "3.11"
	- "3.12"
	- "3.13"

	steps:
	- uses: actions/checkout@v4
	with:
	fetch-depth: 0

	- name: "Setup Micromamba"
	uses: mamba-org/setup-micromamba@v1
	with:
	micromamba-binary-path: ~/.local/bin/micromamba
	environment-file: devtools/conda-envs/environment.yml
	environment-name: openfe-benchmarks-test
	cache-environment: true
	cache-downloads: true
	create-args: >-
	python=${{ matrix.python-version }}
	init-shell: bash

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

	- name: "Test imports"
	run: \|
	# if we add more to this, consider changing to for + env vars
	python -Ic "import openfe_benchmarks; print(openfe_benchmarks.__version__)"

	- name: "Environment Information"
	run: \|
	micromamba info
	micromamba list

	- name: "Run tests"
	run: \|
	pytest -vv

	- name: codecov
	if: ${{ github.repository == 'OpenFreeEnergy/openfe_benchmarks'
	&& github.event != 'schedule' }}
	uses: codecov/codecov-action@v5
	with:
	token: ${{ secrets.CODECOV_TOKEN }}
	files: coverage.xml
	fail_ci_if_error: False
	verbose: True

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