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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,95 @@ | ||
| # This file is part of tad-dftd3. | ||
| # SPDX-Identifier: Apache-2.0 | ||
| # | ||
| # 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 +1,91 @@ | ||
| # This file is part of tad-dftd3. | ||
| # SPDX-Identifier: Apache-2.0 | ||
| # | ||
| # 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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Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters