Runtime environment variables

[agoscinski]

We need to provide in sirocco a way to adapt the CalcJob.inputs.wrapper_script to include runtime information. In aiida-icon there is already a wrapper_script in aiida-icon with from aiida_icon.site_support.cscs.todi import setup_for_todi_cpu that we can use as a hardcoded default for now in Sirocco.

def setup_for_todi_cpu(builder: processes.ProcessBuilder) -> None:
    common_alps_setup(builder)
    builder.wrapper_script = aiida.orm.SinglefileData(file=SCRIPT_DIR / "todi_cpu.sh")

In aiida_icon.site_support.cscs.todi.py

[GeigerJ2]

Possibly solved by #210

[GeigerJ2]

Corresponding issue in aiida-icon aiida-icon/aiida-icon#40