Closed mbercx closed 1 year ago
@qiaojunfeng this PR is blocked until the commit described above is released, but already wanted to give you a heads up.
Thanks, Marnik! The commit message https://github.com/aiidateam/aiida-quantumespresso/commit/a389629387b74805ffe2f4d6515ac05b8f62b4d5 is very good and clear^^
this PR is blocked until the commit described above is released
Do you have any plan of when to release a new version of aiida-qe? Once that it done I can safely merge this
Do you have any plan of when to release a new version of aiida-qe?
Soon, but it's the same old story of "let me just get one more PR in". ^^ In this case it's https://github.com/aiidateam/aiida-quantumespresso/pull/640, but that triggered a small documentation rabbit hole excursion. Still, I'd like to release the new version this week, since also aiidalab-qe is counting on it due to failing tests.
EDIT: Do you have an idea when you'll release v2.X support for these work chains? 🙃
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@qiaojunfeng I've updated the aiida-quantumespresso
dependency to 4.4.0
here, since the change in validation described above is made there.
@qiaojunfeng can I go ahead and merge this?
@qiaojunfeng can I go ahead and merge this?
Sorry for the delay, just merged it!
In https://github.com/aiidateam/aiida-quantumespresso/commit/a389629387b74805ffe2f4d6515ac05b8f62b4d5, the validation of the
parent_folder
was adapted to no longer rely on splitting up the validation of the top-level inputs invalidate_inputs
andvalidate_inputs_base
. Instead, a wrapping work chain can just exclude theparent_folder
when exposing the inputs of e.g. aPwBaseWorkChain
whoseparent_folder
will be obtained at run-time.Here we remove the line adapting the validator of the
PwCalculation
in thenscf
namespace of theWannier90WorkChain
tovalidate_inputs_base
, and excludepw.parent_folder
from this namespace instead.