Release v1.4.1 #78
Workflow file for this run
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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 |