release.yaml

# This file is part of dxtb.
#
# 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
    tags:
      - "v*"

  pull_request:
    branches:
      - main

  workflow_dispatch:

jobs:
  wheel:
    runs-on: ubuntu-latest
    steps:
      - name: Checkout code
        uses: actions/checkout@v3

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

      - name: Upload wheel as artifact
        uses: actions/upload-artifact@v3
        with:
          path: dist/*.whl

  sdist:
    runs-on: ubuntu-latest
    steps:
      - name: Checkout code
        uses: actions/checkout@v3

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

      - name: Upload source distribution as artifact
        uses: actions/upload-artifact@v3
        with:
          path: dist/*.tar.gz

  upload_test_pypi:
    needs: [sdist, wheel]
    runs-on: ubuntu-latest
    environment: release
    permissions:
      id-token: write
    if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')
    steps:
      - name: Download build artifacts
        uses: actions/download-artifact@v3
        with:
          name: artifact
          path: dist

      - 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:
      id-token: write
    if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')
    steps:
      - name: Download build artifacts
        uses: actions/download-artifact@v3
        with:
          name: artifact
          path: dist

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