Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Prepare the move of material science specific data classes to separate plugin #2686

Open
8 tasks done
sphuber opened this issue Apr 1, 2019 · 6 comments
Open
8 tasks done
Assignees
Labels
requires discussion topic/data-types topic/plugin-system type/backwards-incompatible Issues with this label indicate that the required changes are most likely backwards-incompatible type/refactoring

Comments

@sphuber
Copy link
Contributor

sphuber commented Apr 1, 2019

Over time, domain specific calculation and data classes have already been moved to individual repositories. There are a few remaining that we may want to move to e.g. aiida-materials-science. Decide which one of these to move and where:

  • array.bands -> aiida-atomistic
  • array.kpoints -> aiida-atomistic
  • array.projection -> aiida-atomistic
  • array.trajectory -> aiida-atomistic
  • cif -> aiida-atomistic
  • orbital -> aiida-atomistic
  • structure -> aiida-atomistic
  • upf -> aiida-pseudo

The same goes for any related tools in aiida.tools.data.
Potential name for the new plugin:

  • aiida-solid-state
  • aiida-atomistic
  • aiida-materials-science
  • aiida-matsci

EDIT: after discussion during the December 2021 coding week it has been decided to move all plugins mentioned above to a new plugin package called aiida-atomistic, with the exception of UpfData which is already replaced in aiida-pseudo. See also this AEP that will discuss the details of how the move will be implemented.

@sphuber
Copy link
Contributor Author

sphuber commented Apr 5, 2019

Questions:

  • What to do with the importers, which import mostly UpfData or CifData?
  • What to do with the resources and translators for these data types in REST API

@sphuber
Copy link
Contributor Author

sphuber commented Apr 12, 2019

After discussion it is agreed that this is too big of a change after v1.0.0b2 and just before v1.0.0. So this will have to be postponed to v2.0.0

@sphuber sphuber modified the milestones: v1.0.0, v2.0.0 Apr 12, 2019
@csadorf
Copy link
Contributor

csadorf commented Feb 18, 2020

Since this is not going into the next release, should we remove the priority/critical-blocking label?

@giovannipizzi giovannipizzi removed the priority/critical-blocking must be resolved before next release label Feb 24, 2020
@giovannipizzi
Copy link
Member

Done

@sphuber sphuber changed the title Move final material science specific data classes to separate plugin Prepare the move of material science specific data classes to separate plugin Nov 30, 2020
@sphuber sphuber added the type/backwards-incompatible Issues with this label indicate that the required changes are most likely backwards-incompatible label Mar 11, 2021
@giovannipizzi
Copy link
Member

I vote for removing this from 2.0 if we want to release it in the next few months, as it's not clear if the amount of effort needed to make this move properly is worth the resulting advantages we would get

@sphuber
Copy link
Contributor Author

sphuber commented Mar 24, 2021

I think we indeed decided to not include this in v2.0 due to lack of time necessary for the preparation. So I am removing the milestone.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
requires discussion topic/data-types topic/plugin-system type/backwards-incompatible Issues with this label indicate that the required changes are most likely backwards-incompatible type/refactoring
Projects
None yet
Development

No branches or pull requests

3 participants