Add an explicit way to get extra retrieved files in the calculations

[aiidaplugins]

Add an explicit way to get extra retrieved files in the calculations

[JPchico]

Sure I think that the aiida-shell is great for this case. But it might be good to have it in the raw and base calculations just in case, I'll quickly add it in after #77 is merged.

[sphuber]

Yep, I agree that that might be useful, and indeed, traditionally, adding an additional_retrieve_list to a settings input is one way of accomplishing that.

But I wonder if users that want to run a raw script would not simply be better off using aiida-shell. All of this is already available and it would look like:

from aiida_shell import launch_shell_job

results, node = launch_shell_job(
    'lmp',
    arguments='-in {script} -log output.log',
    nodes={
        'script': '/path/to/script.lmp'
    },
    outputs=['stdout', 'output.log'],
    metadata={
        'options': {
            'parser_name': 'lammps.raw'
        }
    }
)

They can add any output files they want retrieved to the outputs list.

[JPchico]

Closed via #89