Update tests #111
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| # This is a basic workflow to help you get started with Actions | |
| name: CI | |
| # Controls when the action will run. | |
| on: | |
| # Triggers the workflow on push or pull request events but only for the master branch | |
| push: | |
| branches: [ master ] | |
| pull_request: | |
| branches: [ master ] | |
| # Allows you to run this workflow manually from the Actions tab | |
| workflow_dispatch: | |
| # A workflow run is made up of one or more jobs that can run sequentially or in parallel | |
| jobs: | |
| # This workflow contains a single job called "build" | |
| build: | |
| # The type of runner that the job will run on | |
| runs-on: ubuntu-latest | |
| # Steps represent a sequence of tasks that will be executed as part of the job | |
| steps: | |
| # Checks-out your repository under $GITHUB_WORKSPACE, so your job can access it | |
| - uses: actions/checkout@v4 | |
| # Setup Python | |
| - name: Setup Python | |
| uses: actions/setup-python@v1 | |
| with: | |
| python-version: 3.12.8 | |
| architecture: x64 | |
| # Installing of the dependencies for GenSec | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install pytest | |
| pip install numpy | |
| pip install ase | |
| pip install scipy | |
| pip install networkx | |
| pip install pandas | |
| pip install flake8 | |
| # Running the tests for GenSec | |
| - name: Tests | |
| run: | | |
| python -m unittest discover -s ./tests -p single_molecule.py | |
| - name: Code Coverage Report | |
| uses: romeovs/[email protected] | |
| with: | |
| github-token: ${{ secrets.GITHUB_TOKEN }} | |
| lcov-file: ./coverage/lcov.info | |
| paper: | |
| runs-on: ubuntu-latest | |
| name: Paper Draft | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| - name: Build draft PDF | |
| uses: openjournals/openjournals-draft-action@master | |
| with: | |
| journal: joss | |
| # This should be the path to the paper within your repo. | |
| paper-path: .github/workflows/paper.md | |
| - name: Upload | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: paper | |
| # This is the output path where Pandoc will write the compiled | |
| # PDF. Note, this should be the same directory as the input | |
| # paper.md | |
| path: .github/workflows/paper.pdf |