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Fix code_widget_class for PW
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superstar54 committed Nov 21, 2024
1 parent 97915df commit 519179d
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Showing 2 changed files with 4 additions and 2 deletions.
1 change: 0 additions & 1 deletion src/aiidalab_qe/app/submission/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -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"),
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5 changes: 4 additions & 1 deletion src/aiidalab_qe/app/submission/code/model.py
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@
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 QEAppComputationalResourcesWidget, PwCodeResourceSetupWidget


class CodeModel(Model):
Expand Down Expand Up @@ -120,6 +120,9 @@ class PwCodeModel(CodeModel):
override = tl.Bool(False)
npool = tl.Int(1)

def __init__(self, *, name="", description, default_calc_job_plugin, 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 {}
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