Bump version to 0.2.0 (#22) #13
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# 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 (Ubuntu) | |
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: [ubuntu-latest] | |
python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"] | |
torch-version: ["1.11.0", "1.12.1", "1.13.1", "2.0.1", "2.1.2", "2.2.2", "2.3.1"] | |
exclude: | |
# Check latest versions here: https://download.pytorch.org/whl/torch/ | |
# | |
# PyTorch now fully supports Python=<3.11 | |
# see: https://github.com/pytorch/pytorch/issues/86566 | |
# | |
# PyTorch does now support Python 3.12 (Linux) for 2.2.0 and newer | |
# see: https://github.com/pytorch/pytorch/issues/110436 | |
- python-version: "3.12" | |
torch-version: "1.11.0" | |
- python-version: "3.12" | |
torch-version: "1.12.1" | |
- python-version: "3.12" | |
torch-version: "1.13.1" | |
- python-version: "3.12" | |
torch-version: "2.0.1" | |
- python-version: "3.12" | |
torch-version: "2.1.2" | |
# 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" | |
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 }} | |
- name: Upload coverage to Codecov | |
uses: codecov/codecov-action@v3 | |
if: > | |
matrix.python-version == '3.11' && | |
matrix.torch-version == '2.2.2' && | |
matrix.os == 'ubuntu-latest' | |
with: | |
files: ./coverage.xml # optional |