deploy.yaml

name: Build and upload to PyPi

on:
  push:
    tags:
      - "*"
  release:
    types:
      - published

jobs:
  test_pypi_push:
    environment:
      name: TestPyPi
      url: https://test.pypi.org/p/MDPOW
    permissions:
      id-token: write
    if: |
      github.repository == 'Becksteinlab/MDPOW' &&
      (github.event_name == 'push' && startsWith(github.ref, 'refs/tags/'))
    name: "TestPyPi: Build and upload pure Python wheels"
    runs-on: ubuntu-latest

    steps:
      - uses: actions/checkout@v4

      - name: testpypi_deploy
        uses: MDAnalysis/pypi-deployment@main
        if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')
        with:
          test_submission: true
          package_name: 'MDPOW'
          module_name: 'mdpow'
          tests: false
          
  pypi_push:
    environment:
      name: PyPi
      url: https://pypi.org/p/MDPOW
    permissions:
      id-token: write
    if: |
      github.repository == 'Becksteinlab/MDPOW' &&
      (github.event_name == 'release' && github.event.action == 'published')
    name: "PyPi: Build and upload pure Python wheels"
    runs-on: ubuntu-latest

    steps:
      - uses: actions/checkout@v4

      - name: pypi_deploy
        uses: MDAnalysis/pypi-deployment@main
        if: github.event_name == 'release' && github.event.action == 'published'
        with:        
          package_name: 'MDPOW'
          module_name: 'gromacs'
          tests: false