EcGM #656

	name: QuAcK CI


	on:
	push:
	branches:
	- master
	pull_request:
	branches:
	- '**'
	schedule:
	- cron: "42 19 * * 6"


	jobs:

	build:
	runs-on: ubuntu-24.04
	name: Compilation and Tests

	steps:
	- name: Checkout repository
	uses: actions/checkout@v3

	- name: Install dependencies
	run: \|
	sudo apt-get update
	sudo apt-get install -y gfortran gcc liblapack-dev libblas-dev wget python3 make m4 pkg-config

	- name: Configuration
	run: \|
	./configure -i ninja \|\| :

	- name: Compilation
	run: \|
	set -e
	source quack.rc
	cd src
	make

	- name: Set up Python
	uses: actions/setup-python@v4
	with:
	python-version: '3.x'

	- name: Install Python dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install pyscf

	- name: Run tests
	run: \|
	set -e
	set -o pipefail
	source quack.rc
	cd test
	python generate_test_methods_and_options.py
	cp methods.test ../tests/inp/methods.RHF
	cp options.test ../tests/inp/options.RHF
	cd ../tests
	python create_database.py
	python lunch_bench.py -s light -t 1e-1

Provide feedback