splitting up job entries into different tables

[tnecnivkcots]

As long time discussed and awaited, the splitting of job entries into different tables can now be seen and tested with the branch splitted_db_tables.

What is not already working:

• master and parent relationships, as they point to the same primary key in the jobs table and lead to an error
• using just one session, for the complete process of adding a job

There are also some additional questions:

• do we want to have a view mode, as in pyiron_base?
• do we want to check for the length of the chemicalformula?

Some documentation diagrams will follow.

[github-actions]

👈 Launch a binder notebook on branch pyiron/pyiron_contrib/splitted_db_tables

[coveralls]

Pull Request Test Coverage Report for Build 8097320551

Details

• 0 of 0 changed or added relevant lines in 0 files are covered.
• 257 unchanged lines in 1 file lost coverage.
• Overall coverage decreased (-0.3%) to 18.871%

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Files with Coverage Reduction	New Missed Lines	%
tinybase/database.py	257	0.0%

Totals
Change from base Build 8071289420:	-0.3%
Covered Lines:	2103
Relevant Lines:	11144

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💛 - Coveralls

[jan-janssen]

Hi @tnecnivkcots , do you think it makes sense to present this in next weeks pyiron meeting ? If so can you add a short comment to https://github.com/orgs/pyiron/discussions/218 . In addition, it would be great to have some examples and or unit tests to see how the new interface compares to the previous interface. Is the new interface backwards compatible? How can a user switch their local environment to use the new database interface?

[pmrv]

So currently one cannot switch from the old to the new interface. My plan is to stabilize the new interface here first a little bit and then make DatabaseAccess from base conform to it. Switching over the base code would then be simple, but would also need some compatibility setup from our database, either by defining some table views or just migrating the whole database on a maintenance weekend.

Notebooks are failing right now because the rest of tinybase is not adapted yet, but once I've done that we can play a bit with the setup in a tinybase only setup.

[tnecnivkcots]

In docs folder is now a subdirectory uml_diagrams, for concept documentation (in .md and .png-image). For the first there is just a database schema.

database schema

[tnecnivkcots]

Hi @tnecnivkcots , do you think it makes sense to present this in next weeks pyiron meeting ? If so can you add a short comment to https://github.com/orgs/pyiron/discussions/218 . In addition, it would be great to have some examples and or unit tests to see how the new interface compares to the previous interface. Is the new interface backwards compatible? How can a user switch their local environment to use the new database interface?

I think it will be a bit of a work in progress for the presentation. In particular, using it on our cmti resources will require the adjustment of our database setup.