Just noticed that runnning pytest tests/ results in a fair amount of Warnings. Not sure how critical they are but we should clear them up.
tests/test_bug_report.py::test_fingerprint_parser
/opt/conda/lib/python3.9/site-packages/aiida/manage/configuration/settings.py:59: UserWarning: Creating AiiDA configuration folder `/tmp/pytest-of-jovyan/pytest-1/config0/.aiida`.
warnings.warn(f'Creating AiiDA configuration folder `{path}`.')
tests/test_bug_report.py::test_fingerprint_parser
/home/jovyan/.local/lib/python3.9/site-packages/ipywidgets_extended/dropdown.py:37: DeprecationWarning: metadata {'trait': <traitlets.traitlets.Unicode object at 0x7f630ef44610>} was set from the constructor. With traitlets 4.1, metadata should be set using the .tag() method, e.g., Int().tag(key1='value1', key2='value2')
_disabled_options_labels = traitlets.Tuple(
tests/test_computational_resources.py: 21 warnings
tests/test_process.py: 2 warnings
tests/test_structures.py: 15 warnings
tests/test_viewers.py: 2 warnings
/opt/conda/lib/python3.9/site-packages/ipywidgets/widgets/widget_selection.py:121: DeprecationWarning: Support for mapping types has been deprecated and will be dropped in a future release.
warnings.warn("Support for mapping types has been deprecated and will be dropped in a future release.", DeprecationWarning)
tests/test_computational_resources.py::test_computaional_resources_widget
tests/test_computational_resources.py::test_computaional_resources_widget
tests/test_databases.py::test_computational_resources_database_widget
tests/test_databases.py::test_computational_resources_database_widget
tests/test_databases.py::test_computational_resources_database_widget
tests/test_databases.py::test_computational_resources_database_widget
/opt/conda/lib/python3.9/site-packages/ipywidgets/widgets/widget.py:477: DeprecationWarning: Passing unrecognized arguments to super(Dropdown).__init__(disable=False).
object.__init__() takes exactly one argument (the instance to initialize)
This is deprecated in traitlets 4.2.This error will be raised in a future release of traitlets.
super(Widget, self).__init__(**kwargs)
tests/test_computational_resources.py::test_computaional_resources_widget
tests/test_computational_resources.py::test_ssh_computer_setup_widget
/opt/conda/lib/python3.9/site-packages/ipywidgets/widgets/widget.py:477: DeprecationWarning: Passing unrecognized arguments to super(ButtonStyle).__init__(description_width='180px').
object.__init__() takes exactly one argument (the instance to initialize)
This is deprecated in traitlets 4.2.This error will be raised in a future release of traitlets.
super(Widget, self).__init__(**kwargs)
tests/test_databases.py::test_cod_query_widget
/home/jovyan/.local/lib/python3.9/site-packages/ase/io/cif.py:401: UserWarning: crystal system 'cubic' is not interpreted for space group 'Pm-3m'. This may result in wrong setting!
warnings.warn(
tests/test_nodes.py::test_open_aiida_node_in_app_widget
/opt/conda/lib/python3.9/site-packages/ipywidgets/widgets/widget.py:477: DeprecationWarning: Passing unrecognized arguments to super(Tab).__init__(style={'description_width': 'initial'}).
object.__init__() takes exactly one argument (the instance to initialize)
This is deprecated in traitlets 4.2.This error will be raised in a future release of traitlets.
super(Widget, self).__init__(**kwargs)
tests/test_process.py::test_process_inputs_widget
/home/jovyan/apps/aiidalab-widgets-base/aiidalab_widgets_base/process.py:215: UserWarning: Did not find an appropriate viewer for the <class 'aiida.orm.nodes.data.int.Int'> object. Returning the object itself.
display(viewer(selected_input))
tests/test_process.py::test_process_outputs_widget
/home/jovyan/apps/aiidalab-widgets-base/aiidalab_widgets_base/process.py:252: UserWarning: Did not find an appropriate viewer for the <class 'aiida.orm.nodes.data.int.Int'> object. Returning the object itself.
display(viewer(selected_output))
tests/test_process.py::test_process_follower_widget
/home/jovyan/apps/aiidalab-widgets-base/aiidalab_widgets_base/process.py:733: DeprecationWarning: Passing unrecognized arguments to super(ProcessMonitor).__init__(process=<WorkChainNode: uuid: dc758115-37cc-4b5b-bb49-74c8b2a63df0 (pk: 59) (aiida.workflows:core.arithmetic.multiply_add)>).
object.__init__() takes exactly one argument (the instance to initialize)
This is deprecated in traitlets 4.2.This error will be raised in a future release of traitlets.
super().__init__(**kwargs)
tests/test_process.py::test_progress_bar_widget
tests/test_process.py::test_progress_bar_widget
/opt/conda/lib/python3.9/site-packages/ipywidgets/widgets/widget.py:477: DeprecationWarning: Passing unrecognized arguments to super(IntProgress).__init__(step=1).
object.__init__() takes exactly one argument (the instance to initialize)
This is deprecated in traitlets 4.2.This error will be raised in a future release of traitlets.
super(Widget, self).__init__(**kwargs)
tests/test_process.py::test_running_calcjob_output_widget
/opt/conda/lib/python3.9/site-packages/ipywidgets/widgets/widget.py:477: DeprecationWarning: Passing unrecognized arguments to super(RunningCalcJobOutputWidget).__init__(calculation=<CalcJobNode: uuid: a0c09027-de64-4fb8-ad6d-194a1e0922c2 (pk: 104) (aiida.calculations:base)>).
object.__init__() takes exactly one argument (the instance to initialize)
This is deprecated in traitlets 4.2.This error will be raised in a future release of traitlets.
super(Widget, self).__init__(**kwargs)
tests/test_structures.py::test_structure_manager_widget
tests/test_structures.py::test_structure_manager_widget
tests/test_viewers.py::test_structure_data_viwer
/opt/conda/lib/python3.9/site-packages/ipywidgets/widgets/widget.py:477: DeprecationWarning: Passing unrecognized arguments to super(ToggleButtons).__init__(orientation='vertical').
object.__init__() takes exactly one argument (the instance to initialize)
This is deprecated in traitlets 4.2.This error will be raised in a future release of traitlets.
super(Widget, self).__init__(**kwargs)
tests/test_structures.py::test_structure_manager_widget
tests/test_structures.py::test_structure_manager_widget
tests/test_viewers.py::test_structure_data_viwer
/opt/conda/lib/python3.9/site-packages/ipywidgets/widgets/widget_button.py:70: DeprecationWarning: icons names no longer start with 'fa-', just use the class name itself (for example, 'check' instead of 'fa-check')
warnings.warn("icons names no longer start with 'fa-', "
tests/test_structures.py::test_smiles_widget
/home/jovyan/.local/lib/python3.9/site-packages/sklearn/utils/multiclass.py:14: DeprecationWarning: Please use `spmatrix` from the `scipy.sparse` namespace, the `scipy.sparse.base` namespace is deprecated.
from scipy.sparse.base import spmatrix
tests/test_structures.py::test_smiles_widget
/home/jovyan/.local/lib/python3.9/site-packages/sklearn/utils/optimize.py:18: DeprecationWarning: Please use `line_search_wolfe2` from the `scipy.optimize` namespace, the `scipy.optimize.linesearch` namespace is deprecated.
from scipy.optimize.linesearch import line_search_wolfe2, line_search_wolfe1
tests/test_structures.py::test_smiles_widget
/home/jovyan/.local/lib/python3.9/site-packages/sklearn/utils/optimize.py:18: DeprecationWarning: Please use `line_search_wolfe1` from the `scipy.optimize` namespace, the `scipy.optimize.linesearch` namespace is deprecated.
from scipy.optimize.linesearch import line_search_wolfe2, line_search_wolfe1
tests/test_viewers.py::test_several_data_viewers
/home/jovyan/apps/aiidalab-widgets-base/tests/test_viewers.py:11: UserWarning: Did not find an appropriate viewer for the <class 'aiida.orm.nodes.data.int.Int'> object. Returning the object itself.
v = viewer(orm.Int(1))
tests/test_viewers.py::test_several_data_viewers
/home/jovyan/.local/lib/python3.9/site-packages/bokeh/core/property/primitive.py:37: DeprecationWarning: `np.bool8` is a deprecated alias for `np.bool_`. (Deprecated NumPy 1.24)
bokeh_bool_types += (np.bool8,)
tests/test_viewers.py::test_several_data_viewers
/opt/conda/lib/python3.9/site-packages/ipywidgets/widgets/widget.py:477: DeprecationWarning: Passing unrecognized arguments to super(BandsDataViewer).__init__(downloadable=True).
object.__init__() takes exactly one argument (the instance to initialize)
This is deprecated in traitlets 4.2.This error will be raised in a future release of traitlets.
super(Widget, self).__init__(**kwargs)
tests/test_viewers.py::test_several_data_viewers
/opt/conda/lib/python3.9/site-packages/ipywidgets/widgets/widget.py:477: DeprecationWarning: Passing unrecognized arguments to super(ProcessNodeViewerWidget).__init__(downloadable=True).
object.__init__() takes exactly one argument (the instance to initialize)
This is deprecated in traitlets 4.2.This error will be raised in a future release of traitlets.
super(Widget, self).__init__(**kwargs)
tests/test_viewers.py::test_structure_data_viwer
/opt/conda/lib/python3.9/site-packages/ipywidgets/widgets/widget.py:477: DeprecationWarning: Passing unrecognized arguments to super(StructureDataViewer).__init__(downloadable=True).
object.__init__() takes exactly one argument (the instance to initialize)
This is deprecated in traitlets 4.2.This error will be raised in a future release of traitlets.
super(Widget, self).__init__(**kwargs)
Just noticed that runnning
pytest tests/results in a fair amount of Warnings. Not sure how critical they are but we should clear them up.