mypy

Use MBAR error as uncertainty with a single protocol repeat in RBFE #2974

	name: "mypy"
	on:
	pull_request:
	branches:
	- main
	push:
	branches:
	- main

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

	defaults:
	run:
	shell: bash -l {0}

	jobs:
	mypy:
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v4

	- name: Get current date
	id: date
	run: echo "date=$(date +%Y-%m-%d)" >> "${GITHUB_OUTPUT}"

	- name: "Setup Micromamba"
	uses: mamba-org/setup-micromamba@v1
	with:
	environment-file: environment.yml
	environment-name: openfe_env
	cache-environment: true
	cache-downloads: true
	cache-environment-key: environment-${{ steps.date.outputs.date }}
	cache-downloads-key: downloads-${{ steps.date.outputs.date }}
	create-args: >-
	python=3
	rdkit=2023.09.5
	init-shell: bash

	- name: "Install steps"
	run: \|
	python -m pip install --no-deps git+https://github.com/OpenFreeEnergy/gufe@main
	python -m pip install mypy
	python -m pip install types-pkg_resources
	python -m pip install --no-deps -e .

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

	- name: "Lint with mypy"
	run: mypy

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