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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Aug 30, 2024
1 parent 98226fa commit 46f59f8
Showing 1 changed file with 131 additions and 131 deletions.
262 changes: 131 additions & 131 deletions qe.ipynb
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Original file line number Diff line number Diff line change
@@ -1,134 +1,134 @@
{
"cells": [
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"%%javascript\n",
"IPython.OutputArea.prototype._should_scroll = function(lines) {\n",
" return false;\n",
"}\n",
"document.title='AiiDAlab QE app'"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"from aiida import load_profile\n",
"\n",
"load_profile();"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"from aiidalab_widgets_base.utils.loaders import load_css\n",
"\n",
"load_css(css_path=\"src/aiidalab_qe/app/static/styles\")"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"# Fix pybel import path\n",
"try:\n",
" import sys\n",
"\n",
" sys.modules[\"pybel\"] = __import__(\"openbabel\", globals(), locals(), [\"pybel\"]).pybel\n",
"except Exception:\n",
" pass\n",
"\n",
"import urllib.parse as urlparse\n",
"from datetime import datetime\n",
"\n",
"import ipywidgets as ipw\n",
"from importlib_resources import files\n",
"from IPython.display import display\n",
"from jinja2 import Environment\n",
"\n",
"from aiidalab_qe.app import App\n",
"from aiidalab_qe.app.static import styles, templates\n",
"from aiidalab_qe.version import __version__\n",
"from aiidalab_widgets_base.bug_report import (\n",
" install_create_github_issue_exception_handler,\n",
")"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"env = Environment()\n",
"\n",
"template = files(templates).joinpath(\"welcome.jinja\").read_text()\n",
"style = files(styles).joinpath(\"style.css\").read_text()\n",
"welcome_message = ipw.HTML(env.from_string(template).render(style=style))\n",
"current_year = datetime.now().year\n",
"footer = ipw.HTML(\n",
" f'<p style=\"text-align:right;\">Copyright (c) {current_year} AiiDAlab team &#8195Version: {__version__}</p>'\n",
")\n",
"\n",
"url = urlparse.urlsplit(jupyter_notebook_url) # noqa F821\n",
"query = urlparse.parse_qs(url.query)\n",
"\n",
"\n",
"app_with_work_chain_selector = App(qe_auto_setup=True)\n",
"# if a pk is provided in the query string, set it as the value of the work_chain_selector\n",
"if \"pk\" in query:\n",
" pk = int(query[\"pk\"][0])\n",
" app_with_work_chain_selector.work_chain_selector.value = pk\n",
"\n",
"output = ipw.Output()\n",
"install_create_github_issue_exception_handler(\n",
" output,\n",
" url=\"https://github.com/aiidalab/aiidalab-qe/issues/new\",\n",
" labels=(\"bug\", \"automated-report\"),\n",
")\n",
"\n",
"with output:\n",
" display(welcome_message, app_with_work_chain_selector, footer)\n",
"\n",
"display(output)"
]
}
],
"metadata": {
"kernelspec": {
"display_name": "Python 3 (ipykernel)",
"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": "3.9.13"
},
"vscode": {
"interpreter": {
"hash": "d4d1e4263499bec80672ea0156c357c1ee493ec2b1c70f0acce89fc37c4a6abe"
}
}
"cells": [
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"%%javascript\n",
"IPython.OutputArea.prototype._should_scroll = function(lines) {\n",
" return false;\n",
"}\n",
"document.title='AiiDAlab QE app'"
]
},
"nbformat": 4,
"nbformat_minor": 4
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"from aiida import load_profile\n",
"\n",
"load_profile();"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"from aiidalab_widgets_base.utils.loaders import load_css\n",
"\n",
"load_css(css_path=\"src/aiidalab_qe/app/static/styles\")"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"# Fix pybel import path\n",
"try:\n",
" import sys\n",
"\n",
" sys.modules[\"pybel\"] = __import__(\"openbabel\", globals(), locals(), [\"pybel\"]).pybel\n",
"except Exception:\n",
" pass\n",
"\n",
"import urllib.parse as urlparse\n",
"from datetime import datetime\n",
"\n",
"import ipywidgets as ipw\n",
"from importlib_resources import files\n",
"from IPython.display import display\n",
"from jinja2 import Environment\n",
"\n",
"from aiidalab_qe.app import App\n",
"from aiidalab_qe.app.static import styles, templates\n",
"from aiidalab_qe.version import __version__\n",
"from aiidalab_widgets_base.bug_report import (\n",
" install_create_github_issue_exception_handler,\n",
")"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"env = Environment()\n",
"\n",
"template = files(templates).joinpath(\"welcome.jinja\").read_text()\n",
"style = files(styles).joinpath(\"style.css\").read_text()\n",
"welcome_message = ipw.HTML(env.from_string(template).render(style=style))\n",
"current_year = datetime.now().year\n",
"footer = ipw.HTML(\n",
" f'<p style=\"text-align:right;\">Copyright (c) {current_year} AiiDAlab team &#8195Version: {__version__}</p>'\n",
")\n",
"\n",
"url = urlparse.urlsplit(jupyter_notebook_url) # noqa F821\n",
"query = urlparse.parse_qs(url.query)\n",
"\n",
"\n",
"app_with_work_chain_selector = App(qe_auto_setup=True)\n",
"# if a pk is provided in the query string, set it as the value of the work_chain_selector\n",
"if \"pk\" in query:\n",
" pk = int(query[\"pk\"][0])\n",
" app_with_work_chain_selector.work_chain_selector.value = pk\n",
"\n",
"output = ipw.Output()\n",
"install_create_github_issue_exception_handler(\n",
" output,\n",
" url=\"https://github.com/aiidalab/aiidalab-qe/issues/new\",\n",
" labels=(\"bug\", \"automated-report\"),\n",
")\n",
"\n",
"with output:\n",
" display(welcome_message, app_with_work_chain_selector, footer)\n",
"\n",
"display(output)"
]
}
],
"metadata": {
"kernelspec": {
"display_name": "Python 3 (ipykernel)",
"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": "3.9.13"
},
"vscode": {
"interpreter": {
"hash": "d4d1e4263499bec80672ea0156c357c1ee493ec2b1c70f0acce89fc37c4a6abe"
}
}
},
"nbformat": 4,
"nbformat_minor": 4
}

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