Add initial state support for expectation values #629

	# 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-Psi4

	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 Psi4 interface
	run: \|
	ver=$(python -c"import sys; print(sys.version_info.minor)")
	fullver=$(echo "3.$ver")
	wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh -O miniconda.sh;
	export CONDABASE=$HOME/miniconda
	bash miniconda.sh -b -p $CONDABASE
	export PATH=$CONDABASE:$PATH
	export PATH="$CONDABASE/bin:$PATH"
	conda update -q conda
	conda create -n test_psi4 python=$fullver
	conda init bash
	bash
	source $HOME/.bashrc
	source $CONDABASE/bin/activate
	conda activate test_psi4
	conda install psi4 python=3.9 -c conda-forge
	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
	pytest test_adapt.py
	cd ../

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