From ab528b6e4e4792790fb51be1d1736116919dfb88 Mon Sep 17 00:00:00 2001 From: Xing Wang Date: Fri, 22 Nov 2024 00:42:03 +0100 Subject: [PATCH] Make `PwCodeResourceSetupWidget` default `code_widget_class` for the PwCodeModel. (#938) --- src/aiidalab_qe/app/submission/__init__.py | 1 - src/aiidalab_qe/app/submission/code/model.py | 20 +++++++++++++++++++- 2 files changed, 19 insertions(+), 2 deletions(-) diff --git a/src/aiidalab_qe/app/submission/__init__.py b/src/aiidalab_qe/app/submission/__init__.py index d337d1e7d..885e1d632 100644 --- a/src/aiidalab_qe/app/submission/__init__.py +++ b/src/aiidalab_qe/app/submission/__init__.py @@ -274,7 +274,6 @@ def _set_up_codes(self): "pw": PwCodeModel( description="pw.x", default_calc_job_plugin="quantumespresso.pw", - code_widget_class=PwCodeResourceSetupWidget, ), }, **get_entry_items("aiidalab_qe.properties", "code"), diff --git a/src/aiidalab_qe/app/submission/code/model.py b/src/aiidalab_qe/app/submission/code/model.py index 39ae7d4d8..3cc1cb9f1 100644 --- a/src/aiidalab_qe/app/submission/code/model.py +++ b/src/aiidalab_qe/app/submission/code/model.py @@ -4,7 +4,10 @@ from aiida import orm from aiida.common import NotExistent from aiidalab_qe.common.mvc import Model -from aiidalab_qe.common.widgets import QEAppComputationalResourcesWidget +from aiidalab_qe.common.widgets import ( + PwCodeResourceSetupWidget, + QEAppComputationalResourcesWidget, +) class CodeModel(Model): @@ -120,6 +123,21 @@ class PwCodeModel(CodeModel): override = tl.Bool(False) npool = tl.Int(1) + def __init__( + self, + *, + name="", + description="pw.x", + default_calc_job_plugin="quantumespresso.pw", + code_widget_class=PwCodeResourceSetupWidget, + ): + super().__init__( + name=name, + description=description, + default_calc_job_plugin=default_calc_job_plugin, + code_widget_class=code_widget_class, + ) + def get_model_state(self) -> dict: parameters = super().get_model_state() parameters["parallelization"] = {"npool": self.npool} if self.override else {}