initial commit #1
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| name: GH Actions CI | |
| on: | |
| push: | |
| branches: | |
| - main | |
| pull_request: | |
| branches: | |
| - main | |
| schedule: | |
| # Weekly tests at midnight on Sundays run on main by default: | |
| # Scheduled workflows run on the latest commit on the default or base branch. | |
| # (from https://help.github.com/en/actions/reference/events-that-trigger-workflows#scheduled-events-schedule) | |
| - cron: "0 0 * * 0" | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| jobs: | |
| environment-config: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: "3.11" | |
| main-tests: | |
| needs: environment-config | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Build information | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| # More info on options: https://github.com/conda-incubator/setup-miniconda | |
| - name: Install conda dependencies | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| python-version: "3.12" | |
| environment-file: devtools/conda-envs/test_env.yaml | |
| add-pip-as-python-dependency: true | |
| channels: conda-forge, defaults | |
| activate-environment: imdreader-integration-test | |
| auto-update-conda: true | |
| auto-activate-base: false | |
| show-channel-urls: true | |
| miniconda-version: latest | |
| - name: Install MDAnalysis version | |
| uses: MDAnalysis/install-mdanalysis@main | |
| with: | |
| version: "2.7.0" | |
| install-tests: true | |
| installer: conda | |
| shell: bash -l {0} | |
| - name: Python information | |
| run: | | |
| which python | |
| which pip | |
| pip list | |
| conda info | |
| conda list | |
| - name: Clone lammps fork | |
| uses: actions/checkout@v4 | |
| with: | |
| repository: ljwoods2/lammps | |
| ref: imd-v3 | |
| path: lammps | |
| - name: Build lammps | |
| run: | | |
| cd lammps | |
| mkdir build | |
| cd build | |
| cmake ../cmake/ -D PKG_MISC=yes | |
| cmake --build . | |
| make install | |
| lmp -h | |
| - name: Run lammps tests | |
| run: | | |
| pytest -n auto -v --color=yes imdclient/tests/test_lammps.py |