Add initial state support for expectation values (#373) #630

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

	name: Test-pyscf

	on:
	push:
	branches: [ master, devel ]
	pull_request:
	branches: [ master, devel ]

	jobs:

	build:

	runs-on: ubuntu-latest
	strategy:
	matrix:
	python-version: [3.9]

	steps:
	- uses: actions/checkout@v2
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v1
	with:
	python-version: ${{ matrix.python-version }}
	- name: madness basics
	run: \|
	python -m pip install --upgrade pip
	python -m pip install -r requirements.txt
	python -m pip install -e .
	cd tests
	ls
	pytest test_chemistry_madness.py
	cd ../
	- name: Install and test pyscf interface
	run: \|
	python -m pip install --upgrade pip
	python -m pip install -r requirements.txt
	python -m pip install -e .
	python -m pip install pyscf
	python -m pip install 'h5py <= 3.1'
	cd tests
	ls
	pytest test_chemistry.py test_TrotErr.py -m "not dependencies"
	pytest test_adapt.py -m "not dependencies"
	cd ../

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