release.yaml

# This file is part of tad-dftd4.
#
# SPDX-Identifier: Apache-2.0
# Copyright (C) 2024 Grimme Group
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
#     http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
name: Build

on:
  push:
    branches:
      - main
      - master
    tags:
      - "v*"
    paths-ignore:
      - "doc*/**"
      - "./*.ya?ml"
      - "**/*.md"
      - "**/*.rst"

  pull_request:
    paths-ignore:
      - "doc*/**"
      - "./*.ya?ml"
      - "**/*.md"
      - "**/*.rst"

  workflow_dispatch:

jobs:
  sdist:
    permissions:
      contents: read

    runs-on: ubuntu-latest

    steps:
      - name: Checkout code
        uses: actions/checkout@v4
        with:
          persist-credentials: false

      - name: Build source distribution (sdist)
        run: pipx run build --sdist

      - name: Upload source distribution as artifact
        uses: actions/upload-artifact@v4
        with:
          name: ${{ github.event.repository.name }}-sdist
          path: dist

  wheel:
    permissions:
      contents: read

    runs-on: ubuntu-latest

    steps:
      - name: Checkout code
        uses: actions/checkout@v4
        with:
          persist-credentials: false

      - name: Build wheel (bdist)
        run: pipx run build --wheel

      - name: Upload wheel as artifact
        uses: actions/upload-artifact@v4
        with:
          name: ${{ github.event.repository.name }}-wheel
          path: dist

  install_wheel:
    needs: [wheel]

    permissions:
      contents: read

    runs-on: ubuntu-latest

    steps:
      - name: Checkout code
        uses: actions/checkout@v4
        with:
          persist-credentials: false

      - name: Download build artifacts
        uses: actions/download-artifact@v4
        with:
          path: dist
          merge-multiple: true

      - name: Show downloaded artifacts
        run: ls -lcahFR --color=auto dist

      - name: Install wheel
        run: |
          pip install torch --index-url https://download.pytorch.org/whl/cpu
          pip install dist/*.whl

      - name: Determine package name
        run: |
          name=$(echo "${REPO_NAME}" | tr '-' '_')
          echo "PKG_NAME=$name" >> "$GITHUB_ENV"
          echo "PKG_NAME is set to '${name}'."
        env:
          REPO_NAME: ${{ github.event.repository.name }}

      - name: Test import
        run: python -c "import ${PKG_NAME}; print(${PKG_NAME}.__version__)"
        env:
          PKG_NAME: ${{ env.PKG_NAME }}

  upload_test_pypi:
    needs: [sdist, wheel]

    runs-on: ubuntu-latest

    environment: release

    permissions:
      contents: read
      id-token: write

    if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')
    steps:
      - name: Download build artifacts
        uses: actions/download-artifact@v4
        with:
          path: dist
          merge-multiple: true

      - name: Publish to Test PyPI
        uses: pypa/gh-action-pypi-publish@release/v1
        with:
          repository-url: https://test.pypi.org/legacy/

  upload_pypi:
    needs: [sdist, wheel, upload_test_pypi]

    runs-on: ubuntu-latest

    environment: release

    permissions:
      contents: read
      id-token: write

    if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')
    steps:
      - name: Download build artifacts
        uses: actions/download-artifact@v4
        with:
          path: dist
          merge-multiple: true

      - name: Publish to PyPI
        uses: pypa/gh-action-pypi-publish@release/v1