Adds pH to charge balance options, and makes it default on blocks with exact speciation. #108
Workflow file for this run
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
| name: Checks | |
| on: | |
| push: | |
| branches: [main] | |
| tags: ['*'] | |
| pull_request: | |
| branches: [main] | |
| env: | |
| PYTEST_ADDOPTS: --color=yes | |
| PIP_PROGRESS_BAR: "off" | |
| KERNEL_NAME: reaktoro-pse-dev | |
| defaults: | |
| run: | |
| # -l: login shell, needed when using Conda: | |
| shell: bash -l {0} | |
| jobs: | |
| code-formatting: | |
| name: Check code is formatted (Black) | |
| # OS and/or Python version don't make a difference, so we choose ubuntu and 3.12 as defaults | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.12' | |
| - name: Install Black | |
| # unlike the other jobs, we don't need to install all the dev dependencies, | |
| # but we still want to specify the Black version to use in requirements-dev.txt for local development | |
| # so we extract the relevant line and pass it to a simple `pip install` | |
| run: | | |
| black_requirement="$(grep '^black==' requirements-dev.txt)" | |
| pip install "$black_requirement" | |
| - name: Run Black to verify that the committed code is formatted | |
| run: | | |
| black --check . | |
| pytest: | |
| name: pytest (${{ matrix.os }}/${{ matrix.python-version }}/${{ matrix.install-mode }}) | |
| runs-on: ${{ matrix.os-version }} | |
| needs: [code-formatting] | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| install-mode: | |
| - dev | |
| # - standard | |
| python-version: | |
| - "3.9" | |
| - "3.10" | |
| - "3.11" | |
| - "3.12" | |
| os: | |
| - linux | |
| - win64 | |
| # - macos | |
| include: | |
| - os: linux | |
| os-version: ubuntu-22.04 | |
| - os: win64 | |
| os-version: windows-2022 | |
| # - os: macos | |
| # os-version: macos-14 | |
| - install-mode: dev | |
| python-version: "3.11" # choice of Python version is arbitrary among those in matrix | |
| coverage: "true" | |
| steps: | |
| - if: matrix.install-mode == 'dev' | |
| uses: actions/checkout@v4 | |
| - uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| miniforge-version: latest | |
| channels: conda-forge | |
| activate-environment: ${{ matrix.install-mode == 'dev' && 'reaktoro-pse-dev' || 'reaktoro-pse' }} | |
| - name: Install conda-forge dependencies | |
| run: | | |
| conda install reaktoro=2.12 cyipopt=1.4.1 | |
| - if: matrix.install-mode == 'dev' | |
| name: Install (dev) | |
| run: | | |
| pip install -r requirements-dev.txt | |
| pip list | |
| - if: matrix.install-mode == 'standard' | |
| name: Install (standard) | |
| run: | | |
| pip install "git+${{ format('{0}/{1}@{2}', github.server_url, github.repository, github.ref) }}" | |
| - name: Install (idaes-solvers) | |
| run: | | |
| idaes get-extensions | |
| - if: matrix.coverage | |
| name: Enable coverage for pytest | |
| run: echo PYTEST_ADDOPTS="$PYTEST_ADDOPTS --cov --cov-report=xml" >> $GITHUB_ENV | |
| - name: Run pytest | |
| run: | | |
| pip install pytest # ensure pytest is installed (should do nothing if already present from requirements-dev.txt) | |
| pytest --pyargs reaktoro_pse --verbose | |
| - name: Install Jupyter kernel | |
| run: | | |
| jupyter kernelspec list | |
| python -m ipykernel install --user --name "${{ env.KERNEL_NAME }}" | |
| jupyter kernelspec list | |
| - name: Run pytest with nbmake | |
| run: | | |
| pytest --nbmake --nbmake-kernel="${{ env.KERNEL_NAME }}" src/reaktoro_pse/tutorials/*.ipynb | |
| - name: Upload coverage report as job artifact | |
| if: matrix.coverage | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: coverage-report-${{ matrix.os }} | |
| path: coverage.xml | |
| if-no-files-found: error |