Adding the config file to the data dir of a run

[amjjbonvin]

Is your feature request related to a problem? Please describe.

It would be nice and useful to copy the original config file of a run to the data dir of the run.
Currently we don't store it in the run which is not optimal for reproducibility.

Describe the solution you'd like

Simply copy the original cfg file to the run/data directory

[joaomcteixeira]

Correct.
For the note: each module's folder contains the config file for that module.

[amjjbonvin]

But we don’t save the config of the full workflow, which would be handy to have for reproducibility

[VGPReys]

At which point do we want to have reproducibility ?

• From the raw user input file ?
• From the cleaned user input file ?
• From the toml parsed input file ?
• From the Haddock3 enhanced input file ?
• From all of the above ?

[amjjbonvin]

In principle from all of the above, BUT… you can only ensure reproducibility by running on the same hardware...