Update requirements, minor fixes #225

	# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
	# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions

	name: Python package

	on: [ push ]

	jobs:
	build:

	runs-on: ubuntu-latest
	strategy:
	fail-fast: false
	matrix:
	python-version: ["3.9", "3.11"]
	include:
	- python-version: "3.9"
	numpy-version: "1.26.4"

	steps:
	- uses: actions/checkout@v2
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v2
	with:
	python-version: ${{ matrix.python-version }}
	- if: ${{ matrix.numpy-version}}
	run: python -m pip install numpy==${{ matrix.numpy-version }}
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	python -m pip install flake8 pytest
	python -m pip install mdtraj
	python -m pip install .
	if [ -f requirements.txt ]; then pip install --upgrade -r requirements.txt; fi
	#- name: Lint with flake8
	# run: \|
	# # stop the build if there are Python syntax errors or undefined names
	# flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics
	# # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide
	# flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics
	- name: Test with pytest
	run: \|
	pytest pytim/ --doctest-modules

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