diff --git a/setup.cfg b/setup.cfg index 1ae7ee7d..4f8936a7 100644 --- a/setup.cfg +++ b/setup.cfg @@ -27,7 +27,7 @@ install_requires = aiida-core~=2.2,<3 Jinja2~=3.0 aiida-quantumespresso~=4.4.0 - aiidalab-widgets-base~=2.1 + aiidalab-widgets-base[optimade]~=2.2.0a0 aiida-pseudo~=1.4 filelock~=3.8 importlib-resources~=5.2 diff --git a/src/aiidalab_qe/app/structure/__init__.py b/src/aiidalab_qe/app/structure/__init__.py index 215c7479..2fa9b2aa 100644 --- a/src/aiidalab_qe/app/structure/__init__.py +++ b/src/aiidalab_qe/app/structure/__init__.py @@ -7,7 +7,7 @@ import aiida import ipywidgets as ipw -import traitlets +import traitlets as tl from aiidalab_widgets_base import ( BasicCellEditor, BasicStructureEditor, @@ -37,8 +37,6 @@ ("ETFA molecule", file_path / "examples" / "ETFA.xyz"), ] -OptimadeQueryWidget.title = "OPTIMADE" # monkeypatch - class StructureSelectionStep(ipw.VBox, WizardAppWidgetStep): """Integrated widget for the selection and edition of structure. @@ -47,8 +45,8 @@ class StructureSelectionStep(ipw.VBox, WizardAppWidgetStep): structure importers and the structure editors can be extended by plugins. """ - structure = traitlets.Instance(aiida.orm.StructureData, allow_none=True) - confirmed_structure = traitlets.Instance(aiida.orm.StructureData, allow_none=True) + structure = tl.Instance(aiida.orm.StructureData, allow_none=True) + confirmed_structure = tl.Instance(aiida.orm.StructureData, allow_none=True) def __init__(self, description=None, **kwargs): importers = [ @@ -121,7 +119,7 @@ def __init__(self, description=None, **kwargs): **kwargs, ) - @traitlets.default("state") + @tl.default("state") def _default_state(self): return self.State.INIT @@ -137,7 +135,7 @@ def _update_state(self): else: self.state = self.State.SUCCESS - @traitlets.observe("structure") + @tl.observe("structure") def _observe_structure(self, change): structure = change["new"] with self.hold_trait_notifications(): @@ -148,12 +146,12 @@ def _observe_structure(self, change): self.structure_name_text.value = str(self.structure.get_formula()) self._update_state() - @traitlets.observe("confirmed_structure") + @tl.observe("confirmed_structure") def _observe_confirmed_structure(self, _): with self.hold_trait_notifications(): self._update_state() - @traitlets.observe("state") + @tl.observe("state") def _observe_state(self, change): with self.hold_trait_notifications(): state = change["new"]