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control not passed form QubitExcitation to QubitExcitationImpl #549

control not passed form QubitExcitation to QubitExcitationImpl

control not passed form QubitExcitation to QubitExcitationImpl #549

# 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
on:
push:
branches: [ master, devel ]
pull_request:
branches: [ master, devel ]
jobs:
build:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: [3.7]
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 madness interface
run: |
echo "done"
sudo echo "#!/bin/bash" > pno_integrals
sudo echo "name=\$(docker run -t -d kottmanj/mra-pno)" >> pno_integrals
sudo echo "sudo docker cp input \$name:/" >> pno_integrals
sudo echo "sudo docker exec \$name pno_integrals > pno.out" >> pno_integrals
sudo echo "sudo docker cp \$name:molecule_htensor.bin ." >> pno_integrals
sudo echo "sudo docker cp \$name:molecule_gtensor.bin ." >> pno_integrals
sudo echo "sudo docker cp \$name:pnoinfo.txt ." >> pno_integrals
sudo echo "sudo docker stop \$name" >> pno_integrals
sudo echo "sudo docker rm \$name" >> pno_integrals
echo "asd"
cat pno_integrals
chmod +X pno_integrals
#sudo ln -s pno_integrals /usr/sbin/pno_integrals
#echo $PATH
sudo mkdir /madroot
sudo mkdir /madroot/src
sudo mkdir /madroot/src/apps/
sudo mkdir /madroot/src/apps/pno/
sudo mv pno_integrals /madroot/src/apps/pno/
export MAD_ROOT_DIR=/madroot/
echo $MAD_ROOT_DIR
chmod +x ${MAD_ROOT_DIR}/src/apps/pno/pno_integrals
ls -l ${MAD_ROOT_DIR}/src/apps/pno/
echo "get docker image"
sudo docker pull kottmanj/mra-pno
sudo docker images
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 ../