Workgraph debug tools

[agoscinski]

Sometimes one cannot or it is hard to recreate the test example locally. One can get the same information as verdi process report <PK> and the workdirectory to imitate verdi calcjob gotcomputer <PK>. I don't really have time to make a nice printing function in case of the error, but probably it is already helpful to just have the functions as a snippet somewhere

Here also the script I use to now ssh to the CI and run icon

# Use the https://github.com/lhotari/action-upterm action in the ci workflow to ssh to the CI
# Once ssh'ed into the CI run these commands:
# . /home/runner/work/Sirocco/Sirocco/spack/share/spack/setup-env.sh
# spack env activate .
# hatch -e hatch-test.py3.12 shell
# wget https://github.com/agoscinski/icon-testfiles/raw/refs/heads/main/icon_grid_0013_R02B04_R.nc
# mv icon_grid_0013_R02B04_R.nc tests/cases/small-icon/config/ICON/icon_grid_simple.nc
# Then create a script with the content below and `verdi run <SCRIPT>` it

from aiida.common import NotExistent
from sirocco.core import Workflow
from sirocco.workgraph import AiidaWorkGraph
from aiida import load_profile
from pathlib import Path
load_profile()

config_path = "tests/cases/small-icon/config/config.yml"
config_icon_bin = Path("tests/cases/small-icon/config/ICON/bin/icon")
if config_icon_bin.exists():
    config_icon_bin.unlink()

icon_filepath_executable = "/opt/view/bin/icon"

config_icon_bin.symlink_to(Path(icon_filepath_executable))

core_workflow = Workflow.from_config_file(config_path)
aiida_workflow = AiidaWorkGraph(core_workflow)
out = aiida_workflow.run()