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pytest-CI

pytest-CI #283

Workflow file for this run

name: CI
run-name: pytest-CI
on:
push:
branches: [ main ]
pull_request:
branches: [ main ]
jobs:
test-py310:
runs-on: ubuntu-latest
container:
options: --privileged

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The workflow is not valid. .github/workflows/run_pytest.yaml (Line: 12, Col: 7): Container image cannot be empty
steps:
- name: Configure user namespaces
run: |
sudo sysctl -w kernel.unprivileged_userns_clone=1
sudo mkdir -p /etc/subuid /etc/subgid
sudo touch /etc/subuid /etc/subgid
sudo usermod --add-subuids 10000-75535 runner
sudo usermod --add-subgids 10000-75535 runner
- uses: eWaterCycle/setup-apptainer@v2
with:
apptainer-version: 1.3.0
- uses: mamba-org/setup-micromamba@v1
with:
micromamba-version: '2.0.5-0'
environment-name: 'test-env'
generate-run-shell: true
create-args: >-
python=3.10
ndcctools==7.11.1
py-plumed
simple-dftd3
dftd3-python
pip
-c conda-forge
init-shell: bash
cache-environment: true
post-cleanup: 'all'
- name: install pip dependencies and execute pytest
run: |
pip install pyfftw colorcet wandb pandas plotly plumed 'numpy<2.0.0'
pip install --no-cache-dir git+https://github.com/i-pi/[email protected]
pip install git+https://github.com/acesuit/[email protected]
pip install 'psiflow[dev] @ git+https://github.com/molmod/psiflow.git'
cd ${{ runner.temp }} && git clone https://github.com/molmod/psiflow
cd psiflow
export WANDB_API_KEY=${{ secrets.WANDB_API_KEY }}
apptainer exec oras://ghcr.io/molmod/cp2k:2024.1 ls
apptainer exec oras://ghcr.io/molmod/gpaw:24.1 ls
pytest --skip-gpu --psiflow-config=.github/threadpool.yaml tests/test_reference.py
shell: micromamba-shell {0}