Add interface for cp2k #561
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name: Gpaw Unittest Linux 3.11 | |
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-gpaw.yml >> environment.yml | |
- name: Setup Mambaforge | |
uses: conda-incubator/setup-miniconda@v2 | |
with: | |
python-version: '3.11' | |
miniforge-variant: Mambaforge | |
channels: conda-forge | |
channel-priority: strict | |
activate-environment: my-env | |
environment-file: environment.yml | |
use-mamba: true | |
- 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_evcurve_ase_gpaw.py | |
python -m unittest tests/test_elastic_ase_gpaw.py | |
python -m unittest tests/test_phonons_ase_gpaw.py |