From 735326498418c58697f8dc05457263ef9528d2c0 Mon Sep 17 00:00:00 2001
From: Edan Bainglass <45081142+edan-bainglass@users.noreply.github.com>
Date: Thu, 9 Jan 2025 10:23:11 +0100
Subject: [PATCH] Fix resource setup widget bugs (#661)
- Add additional guards for missing code setup input
- Disable quick setup button if missing any requisites
- Apply uniqueness to missing template variables warning
- Make `ResourceSetupBaseWidget` "public"
- Fix code full label uniqueness check
Note that the fix in the query that looks for existing codes is a hack due to a potential bug in aiida-core. See https://github.com/aiidateam/aiida-core/issues/6687.
---
.../computational_resources.py | 28 ++++++++++++++++---
aiidalab_widgets_base/databases.py | 10 +++++++
aiidalab_widgets_base/utils/__init__.py | 2 +-
tests/test_computational_resources.py | 12 ++++----
4 files changed, 41 insertions(+), 11 deletions(-)
diff --git a/aiidalab_widgets_base/computational_resources.py b/aiidalab_widgets_base/computational_resources.py
index 393a61a19..f1dd6e00e 100644
--- a/aiidalab_widgets_base/computational_resources.py
+++ b/aiidalab_widgets_base/computational_resources.py
@@ -119,7 +119,7 @@ def __init__(
children.append(self._setup_new_code_output)
# Computer/code setup
- self.resource_setup = _ResourceSetupBaseWidget(
+ self.resource_setup = ResourceSetupBaseWidget(
default_calc_job_plugin=self.default_calc_job_plugin,
enable_quick_setup=enable_quick_setup,
enable_detailed_setup=enable_detailed_setup,
@@ -1193,6 +1193,13 @@ def on_setup_code(self, _=None):
with self.setup_code_out:
clear_output()
+ if not self.label.value:
+ self.message = wrap_message(
+ "Please provide a code label.",
+ MessageLevel.WARNING,
+ )
+ return False
+
if not self.computer.value:
self.message = wrap_message(
"Please select an existing computer.",
@@ -1229,7 +1236,7 @@ def on_setup_code(self, _=None):
qb = orm.QueryBuilder()
qb.append(orm.Computer, filters={"uuid": computer.uuid}, tag="computer")
qb.append(
- orm.AbstractCode,
+ orm.Code,
with_computer="computer",
filters={"label": kwargs["label"]},
)
@@ -1612,7 +1619,7 @@ def _on_template_variable_filled(self, _):
self.fill()
-class _ResourceSetupBaseWidget(ipw.VBox):
+class ResourceSetupBaseWidget(ipw.VBox):
"""The widget that allows to setup a computer and code.
This is the building block of the `ComputationalResourcesDatabaseWidget` which
will be directly used by the user.
@@ -1659,6 +1666,11 @@ def __init__(
default_calc_job_plugin=default_calc_job_plugin,
show_reset_button=False,
)
+ ipw.dlink(
+ (self.comp_resources_database, "configured"),
+ (self.quick_setup_button, "disabled"),
+ lambda configured: not configured,
+ )
# All templates
self.template_computer_setup = TemplateVariablesWidget()
@@ -1877,6 +1889,14 @@ def _on_quick_setup(self, _=None):
)
return
+ # Raise error if the code is not selected.
+ if not self.comp_resources_database.code_selector.value:
+ self.message = wrap_message(
+ "Please select a code from the database.",
+ MessageLevel.ERROR,
+ )
+ return
+
# Check if all the template variables are filled.
# If not raise a warning and return (skip the setup).
if (
@@ -1884,7 +1904,7 @@ def _on_quick_setup(self, _=None):
+ self.template_computer_configure.unfilled_variables
+ self.template_code.unfilled_variables
):
- var_warn_message = ", ".join([f"{v}" for v in unfilled_variables])
+ var_warn_message = ", ".join({f"{v}" for v in unfilled_variables})
self.message = wrap_message(
f"Please fill the template variables: {var_warn_message}",
MessageLevel.WARNING,
diff --git a/aiidalab_widgets_base/databases.py b/aiidalab_widgets_base/databases.py
index e3cf14bfd..48f1b9021 100644
--- a/aiidalab_widgets_base/databases.py
+++ b/aiidalab_widgets_base/databases.py
@@ -234,6 +234,8 @@ class ComputationalResourcesDatabaseWidget(ipw.VBox):
computer_configure = tl.Dict()
code_setup = tl.Dict()
+ configured = tl.Bool(False)
+
STYLE = {"description_width": "180px"}
LAYOUT = {"width": "400px"}
@@ -413,6 +415,8 @@ def _computer_changed(self, change=None):
self.computer_setup = computer_setup
self.computer_configure = computer_configure
+ self._set_configured()
+
def _code_changed(self, change=None):
"""Update code settings."""
if change["new"] is None:
@@ -430,3 +434,9 @@ def _code_changed(self, change=None):
.get("codes", {})
.get(selected_code, {})
)
+
+ self._set_configured()
+
+ def _set_configured(self):
+ """Update state of the widget."""
+ self.configured = all((self.computer_setup, self.code_setup))
diff --git a/aiidalab_widgets_base/utils/__init__.py b/aiidalab_widgets_base/utils/__init__.py
index 8a6f53304..bea0e08f0 100644
--- a/aiidalab_widgets_base/utils/__init__.py
+++ b/aiidalab_widgets_base/utils/__init__.py
@@ -213,7 +213,7 @@ def wrap_message(message, level=MessageLevel.INFO):
# The message is wrapped into a div with the class "alert" and the icon of the given level
return f"""
- {message}
+ {message}
"""
diff --git a/tests/test_computational_resources.py b/tests/test_computational_resources.py
index 87a55fd6a..bc093da1e 100644
--- a/tests/test_computational_resources.py
+++ b/tests/test_computational_resources.py
@@ -7,7 +7,7 @@
from aiidalab_widgets_base import computational_resources
from aiidalab_widgets_base.computational_resources import (
ComputationalResourcesWidget,
- _ResourceSetupBaseWidget,
+ ResourceSetupBaseWidget,
)
HTML_TAG_CLEANER = re.compile(r"<[^>]*>")
@@ -496,11 +496,11 @@ def test_template_variables_widget_help_text_disappear_if_no_template_str():
def test_resource_setup_widget_default():
"""Test the _ResourceSetupBaseWidget."""
with pytest.raises(ValueError):
- w = _ResourceSetupBaseWidget(
+ w = ResourceSetupBaseWidget(
enable_detailed_setup=False, enable_quick_setup=False
)
- w = _ResourceSetupBaseWidget()
+ w = ResourceSetupBaseWidget()
# Test message is update correctly. By click setup button without filling in any information.
w._on_quick_setup()
@@ -587,7 +587,7 @@ def test_resource_setup_widget_for_password_configure(monkeypatch, tmp_path):
# monkeypatch home so the ssh key is generated in the temporary directory
monkeypatch.setenv("HOME", str(tmp_path))
- w = _ResourceSetupBaseWidget()
+ w = ResourceSetupBaseWidget()
# Test select a new resource setup will update the output interface (e.g. ssh_config, computer_setup, code_setup)
# and the computer/code setup widget will be updated accordingly.
@@ -654,7 +654,7 @@ def test_resource_setup_widget_for_password_configure(monkeypatch, tmp_path):
@pytest.mark.usefixtures("aiida_profile_clean")
def test_resource_setup_widget_computer_change_code_reset():
"""Test the _ResourceSetupBaseWidget that when computer template changed, the code selector widget is reset."""
- w = _ResourceSetupBaseWidget()
+ w = ResourceSetupBaseWidget()
# Test select a new resource setup will update the output interface (e.g. ssh_config, computer_setup, code_setup)
# and the computer/code setup widget will be updated accordingly.
@@ -673,7 +673,7 @@ def test_resource_setup_widget_computer_change_code_reset():
def test_resource_setup_widget_detailed_setup():
"""Detail branch test of the resource setup widget"""
- w = _ResourceSetupBaseWidget()
+ w = ResourceSetupBaseWidget()
w.comp_resources_database.domain_selector.value = "daint.cscs.ch"
w.comp_resources_database.computer_selector.value = "mc"