[ENH] Small addition of a function to save descriptors as a numpy array from the Calculator API
#14
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| name: Full Test | |
| on: | |
| pull_request: | |
| branches: | |
| - main | |
| push: | |
| paths: | |
| - '.github/workflows/fullTest.yaml' | |
| workflow_dispatch: | |
| jobs: | |
| testPython309: | |
| runs-on: macos-12 | |
| strategy: | |
| fail-fast: false | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.9 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.9' | |
| cache: 'pip' | |
| cache-dependency-path: 'pyproject.toml' | |
| - name: Install Dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| python -m pip install --upgrade setuptools | |
| python -m pip install wheel flask pytest pytest-cov | |
| python -m pip install -e ".[dev]" | |
| - name: Download Models | |
| id: DownloadModelsAttempt1 | |
| run: python -c "import pysipfenn; c = pysipfenn.Calculator(); c.downloadModels(); c.loadModels();" | |
| continue-on-error: true | |
| - name: Download Models Retry if failed the first time | |
| if: failure() | |
| run: python -c "import time; time.sleep(120); import pysipfenn; c = pysipfenn.Calculator(autoLoad=False); c.downloadModels(); c.loadModels();" | |
| - name: Test with pytest | |
| run: pytest --durations=0 --cov=pysipfenn --cov-report=xml | |
| env: | |
| MODELS_FETCHED: true | |
| - name: Upload coverage reports to Codecov | |
| uses: codecov/codecov-action@v3 | |
| testPython310: | |
| needs: testPython309 | |
| runs-on: macos-12 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.10 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.10' | |
| cache: 'pip' | |
| cache-dependency-path: 'pyproject.toml' | |
| - name: Install Dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| python -m pip install --upgrade setuptools | |
| python -m pip install wheel flask pytest | |
| python -m pip install -e ".[dev]" | |
| - name: Download Models | |
| id: DownloadModelsAttempt1 | |
| run: python -c "import pysipfenn; c = pysipfenn.Calculator(); c.downloadModels(); c.loadModels();" | |
| continue-on-error: true | |
| - name: Download Models Retry if failed the first time | |
| if: failure() | |
| run: python -c "import time; time.sleep(120); import pysipfenn; c = pysipfenn.Calculator(autoLoad=False); c.downloadModels(); c.loadModels();" | |
| - name: Test with pytest | |
| run: pytest --durations=0 | |
| env: | |
| MODELS_FETCHED: true | |
| testPython311: | |
| needs: testPython310 | |
| runs-on: macos-12 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.11 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.11' | |
| cache: 'pip' | |
| cache-dependency-path: 'pyproject.toml' | |
| - name: Install Dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| python -m pip install --upgrade setuptools | |
| python -m pip install wheel flask pytest | |
| python -m pip install -e ".[dev]" | |
| - name: Download Models | |
| id: DownloadModelsAttempt1 | |
| run: python -c "import pysipfenn; c = pysipfenn.Calculator(); c.downloadModels(); c.loadModels();" | |
| continue-on-error: true | |
| - name: Download Models Retry if failed the first time | |
| if: failure() | |
| run: python -c "import time; time.sleep(120); import pysipfenn; c = pysipfenn.Calculator(autoLoad=False); c.downloadModels(); c.loadModels();" | |
| - name: Test with pytest | |
| run: pytest --durations=0 | |
| env: | |
| MODELS_FETCHED: true |