Merge pull request #6 from QEF/develop #22
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| name: postqe | |
| on: | |
| push: | |
| branches: [master, develop] | |
| pull_request: | |
| branches: [master, develop] | |
| jobs: | |
| build: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest] | |
| python-version: ["3.11"] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install pip, setuptools and wheel | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install setuptools | |
| pip install wheel | |
| - name: Lint with flake8 | |
| run: | | |
| pip install flake8 | |
| flake8 src/postqe --max-line-length=120 --statistics | |
| - name: Download Quantum ESPRESSO 7.2 | |
| run: | | |
| curl -LJO https://github.com/QEF/q-e/archive/refs/tags/qe-7.2.zip | |
| sha256sum q-e-qe-7.2.zip | grep 1938b5c998e1485564b54b6eb27db31b2686ca8d8cb71a50afc50fe6adef07fc | |
| - name: Unzip Quantum ESPRESSO 7.2 | |
| run: | | |
| unzip -q q-e-qe-7.2.zip | |
| rm q-e-qe-7.2.zip | |
| - name: Install lapack and fftw3 libs | |
| run: | | |
| sudo apt-get update -y | |
| sudo apt install liblapack-dev libfftw3-dev | |
| - name: Install postqe | |
| run: | | |
| export QE_TOPDIR=`realpath q-e-qe-7.2` | |
| pip install . | |
| - name: Test with unittest | |
| run: | | |
| python -m unittest | |