permit atomic input to deformAtoms #1305

	# This is a basic workflow to help you get started with Actions

	name: CI

	# Controls when the action will run.
	on: [push, pull_request, workflow_dispatch]

	# A workflow run is made up of one or more jobs that can run sequentially or in parallel
	jobs:
	# This workflow contains a single job called "build"
	build:
	runs-on: ubuntu-latest
	strategy:
	fail-fast: false
	matrix:
	python-version: ["2.7", "3.8", "3.9", "3.10", "3.11", "3.12"]

	steps:
	- uses: actions/checkout@v2
	- name: Set up Python ${{ matrix.python-version }}
	uses: MatteoH2O1999/setup-python@v2
	with:
	python-version: ${{ matrix.python-version }}
	- name: Add conda to system path
	run: \|
	echo $CONDA/bin >> $GITHUB_PATH
	- name: Install dependencies
	run: \|
	if [[ ${{ matrix.python-version }} != "2.7" ]]; then conda config --add channels conda-forge; fi
	conda create --yes -n test python=${{ matrix.python-version }}
	source activate test
	conda install --yes numpy scipy nose requests
	if [[ ${{ matrix.python-version }} == "2.7" ]]; then conda install --yes unittest2; else conda install --yes pdbfixer mdtraj; fi
	pip install mmtf-python scikit-learn
	pip install .
	python setup.py build_ext --inplace --force
	- name: Test with pytest
	run: \|
	source activate test
	conda install --yes pytest
	pytest

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