macos.yaml

# This file is part of tad-multicharge.
#
# 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: Tests (macOS)

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

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

  workflow_dispatch:

jobs:
  main:
    strategy:
      fail-fast: false
      matrix:
        os: [macos-12, macos-13, macos-14]
        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
        # only test oldest and newest version of torch
        torch-version: ["1.11.0", "2.2.2"]
        exclude:
          # PyTorch now fully supports Python=<3.11
          # see: https://github.com/pytorch/pytorch/issues/86566
          #
          # PyTorch does not support Python 3.12 (all platforms)
          # see: https://github.com/pytorch/pytorch/issues/110436
          - python-version: "3.12"
          # PyTorch<1.13.0 does only support Python=<3.10
          # On macOS and Windows, 1.13.x is also not supported for Python>=3.10
          - python-version: "3.11"
            torch-version: "1.11.0"
          - python-version: "3.11"
            torch-version: "1.12.1"
          - python-version: "3.11"
            torch-version: "1.13.1"
          # Python 3.8/3.9 is not on macos-latest (macos-14-arm64)
          # https://github.com/actions/setup-python/issues/696
          - os: macos-14
            python-version: "3.8"
          - os: macos-14
            python-version: "3.9"

    runs-on: ${{ matrix.os }}

    defaults:
      run:
        shell: bash {0}

    steps:
      - name: Checkout code
        uses: actions/checkout@v3

      - name: Set up Python ${{ matrix.python-version }}
        uses: actions/setup-python@v5
        with:
          python-version: ${{ matrix.python-version }}

      - name: Install dependencies
        run: |
          python3 -m pip install --upgrade pip
          python3 -m pip install tox

      - name: Determine TOXENV
        run: echo "TOXENV=py$(echo ${{ matrix.python-version }} | tr -d '.')-torch$(echo ${{ matrix.torch-version }} | tr -d '.')" >> $GITHUB_ENV

      - name: Print TOXENV
        run: echo "TOXENV is set to '${{ env.TOXENV }}'."

      - name: Unittests with tox
        run: tox -e ${{ env.TOXENV }}