Update packmol.py #305

	name: Lint

	on:
	# Trigger the workflow on push or pull request,
	# but only for the main branch
	push:
	branches:
	- main
	pull_request:
	branches:
	- main

	jobs:
	run-linters:
	name: Run linters
	runs-on: ubuntu-latest
	strategy:
	max-parallel: 1
	matrix:
	python-version: [3.8]
	steps:
	- name: Check out Git repository
	uses: actions/checkout@v2
	with:
	fetch-depth: 0
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v2
	with:
	python-version: ${{ matrix.python-version }}
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install -r requirements-dev.txt --quiet
	- name: mypy
	run: \|
	mypy --version
	rm -rf .mypy_cache
	mypy mdgo
	- name: pydocstyle
	run: \|
	pydocstyle --count mdgo
	- name: pylint
	run: \|
	pylint mdgo
	- name: black
	run: \|
	black --version
	black --check --diff --color mdgo
	- name: flake8
	run: \|
	flake8 --version
	flake8 --count --show-source --statistics mdgo
	# exit-zero treats all errors as warnings.
	flake8 --count --exit-zero --max-complexity=20 --statistics mdgo

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