Updated experiment scripts #192

	name: Installing Grad-DFT and running tests

	on:
	pull_request:
	types:
	- synchronize
	- opened
	- reopened

	jobs:
	build:
	runs-on: ${{ matrix.os }}
	env:
	PYSCF_CONFIG_FILE: ".github/workflows/pyscf_conf.py"
	strategy:
	matrix:
	python-version: ["3.9", "3.10", "3.11"]
	os: [ubuntu-latest]
	steps:
	- uses: actions/checkout@v3
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v4
	with:
	python-version: ${{ matrix.python-version }}
	- name: Install base dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install pytest
	pip install -e .
	- name: Install extra example dependencies
	run: \|
	pip install -e ".[examples]"
	- name: Run unit tests
	run: \|
	pytest -v tests/unit/test_eigenproblem.py
	pytest -v tests/unit/test_loss.py
	- name: Run integration tests
	run: \|
	pytest -v tests/integration/test_non_xc_energy.py
	pytest -v tests/integration/test_functional_implementations.py
	pytest -v tests/integration/test_Harris.py
	pytest -v tests/integration/test_predict_B88.py
	pytest -v tests/integration/test_predict_B3LYP.py
	pytest -v tests/integration/test_training.py

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