add the ORCA data conversion to FHI-aims format; error analysis uniti… #124

	name: CI

	# Run tests whenever a push or pull request is made.
	on: [push, pull_request]

	jobs:
	test:
	# Run on ubuntu
	runs-on: ubuntu-latest

	# Steps represent a sequence of tasks that will be executed as part of the job
	steps:
	# Checkout the repository
	- name: Checkout code
	uses: actions/checkout@v2

	# Setup Julia environment
	- name: Setup Julia environment
	uses: julia-actions/setup-julia@latest
	with:
	version: 1.7.2
	show-versioninfo: true

	# Add the MolSim repository (there must be a better way of doing this)
	- name: Adding additional repositories
	run: \|
	julia -e "using Pkg;Pkg.pkg\"registry add https://github.com/JuliaMolSim/MolSim.git\""

	# Only works when an ssh key is provided
	# uses: julia-actions/add-julia-registry@v1
	# with:
	# registry: https://github.com/JuliaMolSim/MolSim.git

	# Build the package
	- name: Build package
	uses: julia-actions/julia-buildpkg@v1

	# Run the tests.
	- name: Run Julia package tests
	uses: julia-actions/[email protected]

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