Feature: Calculate and output electron localization function (ELF) with KSDFT and OFDFT #3577
Workflow file for this run
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name: Pyabacus Build and Test | |
on: | |
pull_request: | |
jobs: | |
test: | |
name: PyTest | |
runs-on: ubuntu-latest | |
container: | |
image: ghcr.io/deepmodeling/abacus-gnu | |
steps: | |
- name: Checkout | |
uses: actions/checkout@v4 | |
- name: Set up Python | |
uses: actions/setup-python@v5 | |
with: | |
python-version: 3.8 | |
- name: Build Pyabacus | |
run: | | |
cd python/pyabacus | |
python -m pip install -v .[test] | |
- name: Test Pyabacus | |
run: | | |
cd python/pyabacus/tests | |
pytest -v |