Add utility that can easily relaunch a process from a ProcessNode
with minimal required setup
#5837
Labels
priority/important
topic/processes
topic/provenance
topic/utilities
type/accepted feature
approved feature request
type/usability
A big focus of AiiDA is provenance to guarantee reproducibility. Although it does store a significant amount of relevant provenance data, it is currently not very easy to actually reproduce a result that has been generated.
The first step was the introduction of the
ProcessNode.get_builder_restart
method which allows to easily retrieve a builder from a completedProcessNode
. This still suffered from problems since not all inputs (from themetadata
input namespace) were restored. This was addressed in #5801 where as of now metadata inputs will be restored.The final step is that if the process to be run contains
CalcJob
s, theCode
inputs need to be usable. If the process node was imported, theInstalledCode
s have an associatedComputer
that comes from the archive as well and most likely is not configured. The code will most likely have to be reconfigured by the current user. The utility should detect these code inputs and provide an easy way for the caller to replace them with codes that they have set up themselves on computers that they have access to and so are configured with anAuthInfo
. Alternatively, if they areContainerizedCode
s the code is transferable and one should just make sure that the associated computers are configured (or optionally they are run on thelocalhost
).The text was updated successfully, but these errors were encountered: