build_pypi.yml

name: PyPI

on:
  workflow_dispatch:
  pull_request:
  push:
    branches:
      - master
      - develop
    tags:
      - "v**"
  release:
    types:
      - published

jobs:
  check-version-strings:
    name: Check version strings
    runs-on: ubuntu-latest
    container: python:3.11-slim-bullseye

    steps:
      - name: Checkout repo
        uses: actions/checkout@v3
      - name: Install dependencies
        run: |
          pip install pyyaml
      - name: Test versions
        run: |
          python versiontest.py

  build-pip:
    name: Build pip
    needs: [check-version-strings]
    runs-on: ubuntu-latest
    container: python:3.11-slim-bullseye

    steps:
      - uses: actions/checkout@v4
      - name: Build dependencies
        run: |
          pip install virtualenv
          virtualenv venv
          . venv/bin/activate
          pip install build
      - name: Build WHL
        run: |
          . venv/bin/activate
          python -m build
      - uses: actions/upload-artifact@v3
        with:
          path: ./dist/*.whl
          name: whl
  
  test-pip:
    name: Perform unit testing
    needs: [build-pip]
    runs-on: ubuntu-latest
    container: python:3.11-slim-bullseye

    steps:
      - uses: actions/checkout@v4
      - uses: actions/download-artifact@v3
        with:
          name: whl
          path: dist
      - name: Install PyDFT
        run: |
          pip install virtualenv
          virtualenv venv
          . venv/bin/activate
          pip install build pytest dist/*.whl
      - name: Perform unit tests
        run: |
          . venv/bin/activate
          python -m pytest tests/*.py --verbose
  
  upload_pypi:
    needs: [build-pip, test-pip]
    runs-on: ubuntu-latest
    environment: pypi
    permissions:
      id-token: write
    if: startsWith(github.ref, 'refs/tags/v')
    steps:
      - uses: actions/download-artifact@v3
        with:
          name: whl
          path: dist

      - uses: pypa/gh-action-pypi-publish@release/v1