Static declaration of "rules" for IO in calculators

The current ArgvProfile won't work for all calculators since its options are static whereas calculators normally want to append an inputfile or other options, or redirect some streams.

This MR adds (for the calculators I can test) a little FileIORules dataclass which calculators can use to declare the information that ArgvProfile needs. It also allows SocketIOCalculator to work with the ArgvProfile.

Checklist

• I am familiar with ASE's contribution guidelines.
• Doc strings in code changed in this MR are up to date.
• Unit tests have been added for new or changed code.
• Issue is resolved via "closes #XXXX" if applicable.