build.yml

name: build

on:
  release:
    types: [published]

permissions:
  contents: read

jobs:
  build:
    runs-on: ubuntu-latest
    environment:
      name: pypi
      url: https://pypi.org/project/xdatbus/
    permissions:
      id-token: write

    steps:
    - name: Checkout code
      uses: actions/checkout@v4

    - name: Set up Python
      uses: actions/setup-python@v4
      with:
        python-version: '3.11'

    - name: Install Miniconda
      uses: conda-incubator/setup-miniconda@v2
      with:
        auto-activate-base: true
        python-version: '3.11'

    - name: Install PLUMED
      run: |
        conda install -c conda-forge plumed

    - name: Install Poetry
      run: |
        pipx install poetry
        poetry config virtualenvs.create true

    - name: Install dependencies with Poetry
      run: |
        poetry install

    - name: Run tests
      run: poetry run pytest --cov=xdatbus

    - name: Upload coverage reports to Codecov
      uses: codecov/codecov-action@v3
      with:
        token: ${{ secrets.CODECOV_TOKEN }}

    - name: Build package with Poetry
      run: poetry build