REMD Workflow Automation #68

	# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
	# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python

	name: Python package

	on:
	push:
	branches: [ "master" ]
	pull_request:
	branches: [ "master" ]

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

	jobs:
	build:

	runs-on: ubuntu-latest
	strategy:
	fail-fast: false
	matrix:
	python-version: ["3.9", "3.10", "3.11"]

	steps:
	- uses: actions/checkout@v4
	- name: Install conda environment
	uses: mamba-org/setup-micromamba@v1
	with:
	environment-file: test_env.yml
	init-shell: >-
	bash
	create-args: >-
	python=${{ matrix.python-version }}

	- name: Environment Information
	run: \|
	which python
	which python
	micromamba info
	micromamba list
	- name: Install Package
	run: \|
	python -m pip install .
	# - 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: \|
	python -m pytest

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