From 16197d7739bf22016ebebfd1f73cca0593ae5e83 Mon Sep 17 00:00:00 2001
From: Jusong Yu <jusong.yeu@gmail.com>
Date: Fri, 19 May 2023 12:15:36 +0000
Subject: [PATCH] fix the computer_setup update with dict copy

---
 .../computational_resources.py                | 13 ++-
 notebooks/computational_resources.ipynb       | 93 ++++++++++++++++---
 2 files changed, 89 insertions(+), 17 deletions(-)

diff --git a/aiidalab_widgets_base/computational_resources.py b/aiidalab_widgets_base/computational_resources.py
index 65e5580d7..3f3ce1630 100644
--- a/aiidalab_widgets_base/computational_resources.py
+++ b/aiidalab_widgets_base/computational_resources.py
@@ -29,7 +29,7 @@ class QuickSetupWidget(ipw.VBox):
 
     default_calc_job_plugin = traitlets.Unicode(allow_none=True)
 
-    computer_setup = traitlets.Dict()
+    computer_setup = traitlets.Dict().tag(sync=True)
     code_setup = traitlets.Dict()
 
     def __init__(self, **kwargs):
@@ -114,9 +114,10 @@ def quick_setup(self, _=None):
         The actual setup will be triggered from DetailedSetupWidget from ComputationalResourcesWidget.
         """
         from jinja2 import ChainableUndefined, Environment, meta
+        import copy
 
         # From the remote original setup, fill the template
-        computer_setup = self.computer_setup
+        computer_setup = copy.deepcopy(self.computer_setup) # The dict is nested, so we need deepcopy
 
         for key, value in computer_setup.get("setup", {}).items():
             env = Environment(undefined=ChainableUndefined)
@@ -134,12 +135,12 @@ def quick_setup(self, _=None):
             else:
                 computer_setup["setup"][key] = value
 
-        self.computer_setup = {**self.computer_setup}
+        self.computer_setup = computer_setup
         print(self.computer_setup)
 
 
 class DetailedSetupWidget(ipw.VBox):
-    computer_setup = traitlets.Dict()
+    computer_setup = traitlets.Dict().tag(sync=True)
     code_setup = traitlets.Dict()
 
     def __init__(self, **kargs):
@@ -318,7 +319,9 @@ def __init__(self, description="Select code:", path_to_root="../", **kwargs):
 
     def _quick_setup(self, change):
         if change["new"] is not None:
+            print("HETNNNNN")
             self.detailed_setup.aiida_computer_setup.computer_setup = change["new"]
+            self.detailed_setup.aiida_computer_setup._observe_computer_setup()
             # self.detailed_setup.code_setup = self.comp_resources_database.code_setup
 
     def quick_setup(self, _=None):
@@ -814,7 +817,7 @@ def _observe_ssh_config(self, _=None):
 class AiidaComputerSetup(ipw.VBox):
     """Inform AiiDA about a computer."""
 
-    computer_setup = traitlets.Dict(allow_none=True)
+    computer_setup = traitlets.Dict(allow_none=True).tag(sync=True)
     message = traitlets.Unicode()
 
     def __init__(self, **kwargs):
diff --git a/notebooks/computational_resources.ipynb b/notebooks/computational_resources.ipynb
index 0b46bb3b6..9ff109028 100644
--- a/notebooks/computational_resources.ipynb
+++ b/notebooks/computational_resources.ipynb
@@ -2,10 +2,25 @@
  "cells": [
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 1,
    "id": "4013ce60",
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "data": {
+      "application/javascript": [
+       "IPython.OutputArea.prototype._should_scroll = function(lines) {\n",
+       "    return false;\n",
+       "}\n"
+      ],
+      "text/plain": [
+       "<IPython.core.display.Javascript object>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
    "source": [
     "%%javascript\n",
     "IPython.OutputArea.prototype._should_scroll = function(lines) {\n",
@@ -15,17 +30,30 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 2,
    "id": "53f49d32",
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "6ea24e36af9d4230bbde5f966901fba9",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": []
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
    "source": [
     "import aiidalab_widgets_base as awb"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 3,
    "id": "56116f88",
    "metadata": {},
    "outputs": [],
@@ -36,10 +64,25 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 4,
    "id": "b75b6687",
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "6cad017fcce44d35904b7fe815e6bccc",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "ComputationalResourcesWidget(children=(HBox(children=(Dropdown(description='Select code:', disabled=True, opti…"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
    "source": [
     "display(resources1)\n",
     "# display(resources2)"
@@ -47,17 +90,28 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 5,
    "id": "15b22b09",
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "{}"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
    "source": [
     "resources1.detailed_setup.aiida_computer_setup.computer_setup"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 6,
    "id": "b286d587",
    "metadata": {},
    "outputs": [],
@@ -67,10 +121,25 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 7,
    "id": "47b3bc92",
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "98b940e17ea34ee9ac31a9e5dab1b964",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "QuickSetupWidget(children=(HTML(value='Please select the computer/code from a database to pre-fill the fields …"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
    "source": [
     "display(qs)"
    ]