init

.gitignore

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+*.pyc
+*.swo
+*.swp
+~*
+*~
+*.egg*
+.DS_Store
+.idea
+
+.vscode

.pre-commit-config.yaml

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+# Install pre-commit hooks via:
+# pre-commit install
+
+# yapf = yet another python formatter
+repos:
+- repo: https://github.com/pre-commit/mirrors-yapf
+  rev: v0.30.0
+  hooks:
+  - id: yapf
+    name: yapf
+    args: ["-i"]
+
+-   repo: https://github.com/PyCQA/pylint
+    rev: pylint-2.6.0
+    hooks:
+    -   id: pylint
+        language: system
+        exclude: &exclude_files >
+          (?x)^(
+              start.py|
+              tests/.*(?<!\.py)$
+          )$

.travis.yml

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+language: python
+python:
+- "2.7"
+
+cache: pip
+
+services:
+- postgresql
+
+addons:
+  postgresql: "9.5"
+
+install:
+# Upgrade pip, setuptools, and wheel
+- pip install -U pip wheel setuptools
+- pip install -r requirements.txt
+
+env:
+- TEST_AIIDA_BACKEND=django
+- TEST_AIIDA_BACKEND=sqlalchemy
+
+script:
+- python -m unittest discover

LICENSE

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+MIT License
+
+Copyright (c) 2021 The AiiDA lab Team.
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

README.md

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+# Application sssp workflow
+
+The aiidalab plugin to running sssp workflow
+
+## Installation
+
+This jupyter-based app is intended to run in
+[AiiDA lab](https://www.materialscloud.org/aiidalab)
+as well as inside the
+[Quantum Mobile](https://materialscloud.org/work/quantum-mobile) Virtual Machine.
+
+Use the App Store to install it.
+
+## Usage
+
+Here may go a few sreenshots / animated gifs illustrating how to use the app.
+
+## License
+
+MIT
+
+## Contact
+
+morty.yeu@gmail.com

__init__.py

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+# -*- coding: utf-8 -*-
+"""
+Application sssp workflow
+aiidalab-sssp-workflow
+
+The aiidalab plugin to running sssp workflow
+"""

example.ipynb

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+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {
+    "scrolled": false
+   },
+   "outputs": [],
+   "source": [
+    "from aiidalab_widgets_base import CodQueryWidget, SmilesWidget, StructureExamplesWidget\n",
+    "from aiidalab_widgets_base import StructureBrowserWidget, StructureManagerWidget, StructureUploadWidget\n",
+    "\n",
+    "widget = StructureManagerWidget(importers=[\n",
+    "    (\"From computer\", StructureUploadWidget()),\n",
+    "    (\"COD\", CodQueryWidget()),\n",
+    "    (\"AiiDA database\", StructureBrowserWidget()),\n",
+    "    (\"SMILES\", SmilesWidget()),  # requires OpenBabel! \n",
+    "    (\"From Examples\", StructureExamplesWidget(\n",
+    "        examples=[\n",
+    "            (\"Silicon oxide\", \"miscellaneous/structures/SiO2.xyz\")\n",
+    "        ])\n",
+    "    ),\n",
+    "])\n",
+    "\n",
+    "display(widget)"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.7.4"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}

metadata.json

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+{
+    "title": "Application sssp workflow",
+    "description": "The aiidalab plugin to running sssp workflow",
+    "version": "0.1-alpha",
+    "authors": "The AiiDA lab Team",
+    "logo": "img/logo.png",
+    "state": "development"
+}

requirements.txt

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+aiidalab>=20.11.0

start.py

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+# -*- coding: utf-8 -*-
+
+import ipywidgets as ipw
+
+template = """
+<table>
+<tr>
+  <th style="text-align:center">Application sssp workflow</th>
+<tr>
+  <td valign="top"><ul>
+    <li><a href="{appbase}/example.ipynb" target="_blank">Example notebook</a></li>
+  </ul></td>
+</tr>
+</table>
+"""
+
+
+def get_start_widget(appbase, jupbase, notebase):
+    html = template.format(appbase=appbase, jupbase=jupbase, notebase=notebase)
+    return ipw.HTML(html)
+
+
+#EOF