libAtoms / abcd

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Optimade #74

Closed gabor1 closed 4 years ago

gabor1 commented 4 years ago

Have we thought about providing an optimade interface for queries? What would be involved?

fekad commented 4 years ago

Do you mean the optimade interface (query(pagination, filter) + response) or just the filter part (this is what we call query)? 1) For implementing the whole interface we have to define the scheme and each item in the db must contain the mandatory properties. I think it is not going well with the schemeless structure of the abcd database. It is easier to build a new DB than modifying the abcd. I mean it is easy to write a small python code which transforms the data into the desired format and you use one of the reference implementations of optimade to run it as a server. 2) Technically is not difficult to use the same filter. But it is still quite limited: https://github.com/Materials-Consortia/OPTiMaDe/blob/master/optimade.md#h.5 https://github.com/Materials-Consortia/optimade-python-tools/blob/master/optimade/grammar/v0.10.0.elastic.g

fekad commented 4 years ago

Notes:

fekad commented 4 years ago

Closing because of a related issue (#27)!