Merge pull request #362 from pyiron/dependabot/pip/pylammpsmpi-0.2.26 #1270
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
| name: Abinit Unittest Linux 3.12 | |
| on: | |
| push: | |
| branches: [ main ] | |
| pull_request: | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Merge Notebook environment | |
| run: | | |
| cp .ci_support/environment.yml environment.yml | |
| tail --lines=+4 .ci_support/environment-abinit.yml >> environment.yml | |
| echo -e "channels:\n - conda-forge\n" > .condarc | |
| - name: Setup Mambaforge | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| python-version: '3.12' | |
| miniforge-version: latest | |
| condarc-file: .condarc | |
| environment-file: environment.yml | |
| - name: Test | |
| shell: bash -l {0} | |
| timeout-minutes: 30 | |
| run: | | |
| pip install versioneer[toml]==0.29 | |
| pip install . --no-deps --no-build-isolation | |
| python -m unittest tests/test_ase_interface/test_evcurve_ase_abinit.py | |
| env: | |
| ABINIT_PP_PATH: '/usr/share/miniconda3/envs/my-env/share/abinit/LDA_FHI' | |
| ABI_PSPDIR: '/usr/share/miniconda3/envs/my-env/share/abinit/LDA_FHI' | |
| ASE_ABINIT_COMMAND: 'abinit PREFIX.in > PREFIX.log' |