add threeLetter SEQRES #1212
Workflow file for this run
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
| # This is a basic workflow to help you get started with Actions | |
| name: CI | |
| # Controls when the action will run. | |
| on: [push, pull_request, workflow_dispatch] | |
| # A workflow run is made up of one or more jobs that can run sequentially or in parallel | |
| jobs: | |
| # This workflow contains a single job called "build" | |
| build: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ["2.7", "3.8", "3.9", "3.10", "3.11"] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: MatteoH2O1999/setup-python@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Add conda to system path | |
| run: | | |
| echo $CONDA/bin >> $GITHUB_PATH | |
| - name: Install dependencies | |
| run: | | |
| if [[ ${{ matrix.python-version }} != "2.7" ]]; then conda config --add channels conda-forge; fi | |
| conda create --yes -n test python=${{ matrix.python-version }} | |
| source activate test | |
| conda install --yes numpy scipy nose requests | |
| if [[ ${{ matrix.python-version }} == "2.7" ]]; then conda install --yes unittest2; else conda install --yes pdbfixer mdtraj; fi | |
| pip install mmtf-python scikit-learn | |
| pip install . | |
| python setup.py build_ext --inplace --force | |
| - name: Test with pytest | |
| run: | | |
| source activate test | |
| conda install --yes pytest | |
| pytest | |