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Fermionic Excitation Implementation #562

Fermionic Excitation Implementation

Fermionic Excitation Implementation #562

# 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 ../