Add GitHub workflow for CI tests

.github/workflows/test-postqe.yml

@@ -0,0 +1,53 @@
+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
+