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release v1.4

release v1.4 #72

Workflow file for this run

name: Unittests
on: [push, pull_request]
jobs:
linux-build:
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest]
python-version: ["3.9"]
steps:
- uses: actions/checkout@v3
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
- name: Install
run: |
sudo add-apt-repository ppa:ubuntu-toolchain-r/test
sudo apt-get update
sudo apt install gcc-10 g++-10 gfortran-10
sudo update-alternatives \
--install /usr/bin/gcc gcc /usr/bin/gcc-10 100 \
--slave /usr/bin/gfortran gfortran /usr/bin/gfortran-10 \
--slave /usr/bin/gcov gcov /usr/bin/gcov-10
sudo apt-get install -y libopenblas-dev
pip install .
pip install pytest
- name: Test
run: |
export PYSCF_EXT_PATH=$(pwd):$PYSCF_EXT_PATH
pytest -s pyscf/dispersion