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Fix GA workflow for macos (dftd4#52)
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,97 @@ | ||
| # 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: 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 }} |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,93 @@ | ||
| # 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: Tests (Windows) | ||
|
|
||
| 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: [windows-latest] | ||
| 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 | ||
| - os: windows-latest | ||
| python-version: "3.12" | ||
| # PyTorch<1.13.0 does only support Python=<3.10 | ||
| - python-version: "3.11" | ||
| torch-version: "1.11.0" | ||
| - python-version: "3.11" | ||
| torch-version: "1.12.1" | ||
| # On macOS and Windows, 1.13.x is also not supported for Python>=3.10 | ||
| - os: windows-latest | ||
| python-version: "3.11" | ||
| torch-version: "1.13.1" | ||
|
|
||
| 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 }} |
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