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Add initial state support for expectation values (#373) #2

Add initial state support for expectation values (#373)

Add initial state support for expectation values (#373) #2

# 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-Madness with special conda installer
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: ${{ matrix.python-version }}
- name: Install and test madness interface with conda
run: |
ver=$(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:$PATH"
conda update -q conda
conda create -n madtest python=$fullver
conda init bash
bash
source $HOME/.bashrc
source $CONDABASE/bin/activate
conda activate madtest
conda install madtequila -c kottmann
python -m pip install --upgrade pip
python -m pip install -r requirements.txt
python -m pip install -e .
python -m pip install pytest
cd tests
python test_chemistry_madness.py
pytest test_chemistry_madness.py
cd ../