Add DFTK as ab initio code #66

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

	name: ci

	on: [push, pull_request]

	jobs:
	test:

	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v3
	- name: Set up Python 3.8
	uses: actions/setup-python@v3
	with:
	python-version: 3.8
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	python -m pip install \
	pre-commit==2.10.1 \
	-r ./src/requirements.txt \
	-r ./tests/requirements.txt
	- name: Run pre-commit
	run: \|
	pre-commit run --all-files \|\| ( git status --short ; git diff ; exit 1 )
	- name: Test with pytest
	run: \|
	PYTHONPATH=src/ pytest -v

	- name: Build GH pages (for testing)
	run: \|
	python "${GITHUB_WORKSPACE}/src/build.py"

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