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aiidateam / aiida-wannier90

AiiDA plugin for the Wannier90 code
https://aiida-wannier90.readthedocs.io
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status of plugin #62

Closed ltalirz closed 4 years ago

ltalirz commented 4 years ago

I'm looking to make a new Quantum Mobile release and Wannier90 is one of the codes, so it should be shipped together with an AiiDA plugin. I see that the last release of the wannier90 plugin is from 2018. Does the develop branch work with AiiDA 1? If yes, should there perhaps be a new release?

mentioning @giovannipizzi

greschd commented 4 years ago

I don't think we're quite ready for a release yet -- the develop branch kind-of works with 1.0, but only one "happy path" is currently tested. Documentation and examples are also still lagging behind.

Most importantly, I think we need to go through the interface and see if there are things that need to be changed / renamed.

What's the timeline for the Quantum Mobile release?

greschd commented 4 years ago

See also the milestone: https://github.com/aiidateam/aiida-wannier90/milestone/1

greschd commented 4 years ago

If you absolutely need a release before we're all the way done, we can probably make a pre-release.

giovannipizzi commented 4 years ago

Indeed, I agree with @greschd Maybe, since at least one code path is working, we could start releasing a alpha1 to include in the Quantum Mobile (at least people can try it out), even if as @greschd we are still in the process of possibly changing the keys of the output of the parser for better consistency - and I would release a beta after this, aiming for an actual release soon after, when the milestone 1 is done.

giovannipizzi commented 4 years ago

For the record - we're aiming at releasing this soon, so it can be used for the Wannier90 school in late March - where we want to use the Quantum Mobile

giovannipizzi commented 4 years ago

I think that as soon as #82 is fixed, we can already do a rc1, so we can prepare a Quantum Mobile with it - and then we can do #7 (documentation) next week (@normarivano was willing to help), before the final release (of course if someone e.g. @greschd wants to work on it, great - I think it's mostly making sure that the docs are up to date with the code).

greschd commented 4 years ago

Agree that the code is ready for a release candidate.

I won't get around to writing documentation next week, but if there are technical issues / questions in building it feel free to ping me @normarivano.

giovannipizzi commented 4 years ago

Documentation has been fixed by @normarivano and myself in #7 Release 2.0 just done and also on pypi

I am therefore alerting @ltalirz so he can include it in the Quantum Mobile, and I am closing this issue!

greschd commented 4 years ago

Thanks a lot @normarivano @qiaojunfeng @giovannipizzi!