more Parallel InSty fixes #1425
Workflow file for this run
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# 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", "3.9", "3.10", "3.11", "3.12"] | |
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 | |