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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,18 +1,46 @@ | ||
| --- | ||
| repos: | ||
| - repo: https://github.com/psf/black | ||
| rev: 20.8b1 | ||
| hooks: | ||
| - id: black | ||
| language_version: python3 # Should be a command that runs python3.6+ | ||
|
|
||
| - repo: https://gitlab.com/pycqa/flake8 | ||
| rev: '3.8.4' | ||
| hooks: | ||
| - id: flake8 | ||
| args: [--count, --show-source, --statistics] | ||
| - repo: https://github.com/pre-commit/pre-commit-hooks | ||
| rev: v4.3.0 | ||
| hooks: | ||
| - id: check-json | ||
| - id: check-yaml | ||
| - id: end-of-file-fixer | ||
| - id: trailing-whitespace | ||
| exclude: miscellaneous/structures/SiO2.xyz | ||
|
|
||
| - repo: https://github.com/pycqa/isort | ||
| rev: 5.6.4 | ||
| hooks: | ||
| - id: isort | ||
| args: ["--profile", "black", "--filter-files"] | ||
| - repo: https://github.com/jumanjihouse/pre-commit-hook-yamlfmt | ||
| rev: 0.2.2 | ||
| hooks: | ||
| - id: yamlfmt | ||
|
|
||
| - repo: https://github.com/psf/black | ||
| rev: 22.6.0 | ||
| hooks: | ||
| - id: black | ||
| language_version: python3 # Should be a command that runs python3.6+ | ||
|
|
||
| - repo: https://github.com/PyCQA/flake8 | ||
| rev: 4.0.1 | ||
| hooks: | ||
| - id: flake8 | ||
| args: [--count, --show-source, --statistics] | ||
| additional_dependencies: | ||
| - flake8-bugbear==21.3.1 | ||
|
|
||
| - repo: https://github.com/pycqa/isort | ||
| rev: 5.10.1 | ||
| hooks: | ||
| - id: isort | ||
| args: [--profile, black, --filter-files] | ||
|
|
||
| - repo: https://github.com/asottile/setup-cfg-fmt | ||
| rev: v1.20.2 | ||
| hooks: | ||
| - id: setup-cfg-fmt | ||
|
|
||
| - repo: https://github.com/sirosen/check-jsonschema | ||
| rev: 0.17.1 | ||
| hooks: | ||
| - id: check-github-workflows |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,132 @@ | ||
| { | ||
| "cells": [ | ||
| { | ||
| "cell_type": "code", | ||
| "execution_count": null, | ||
| "id": "1e6a8c8c", | ||
| "metadata": {}, | ||
| "outputs": [], | ||
| "source": [ | ||
| "import urllib.parse as urlparse\n", | ||
| "import ipywidgets as ipw" | ||
| ] | ||
| }, | ||
| { | ||
| "cell_type": "code", | ||
| "execution_count": null, | ||
| "id": "7e7e205e", | ||
| "metadata": {}, | ||
| "outputs": [], | ||
| "source": [ | ||
| "import sys\n", | ||
| "from aiidalab.__main__ import _find_version_to_install, _parse_requirement\n", | ||
| "from aiidalab.utils import PEP508CompliantUrl\n", | ||
| "\n", | ||
| "\n", | ||
| "def identify_app_and_version(app_query, prereleases, force): \n", | ||
| " try:\n", | ||
| " requirement = _parse_requirement(app_query)\n", | ||
| " except Exception as error:\n", | ||
| " raise RuntimeError(str(error)) from error\n", | ||
| " \n", | ||
| " try:\n", | ||
| " return _find_version_to_install(\n", | ||
| " requirement,\n", | ||
| " dependencies=\"install\",\n", | ||
| " force=force,\n", | ||
| " python_bin=sys.executable,\n", | ||
| " prereleases=prereleases)\n", | ||
| " except Exception as error:\n", | ||
| " raise RuntimeError(str(error)) from error" | ||
| ] | ||
| }, | ||
| { | ||
| "cell_type": "code", | ||
| "execution_count": null, | ||
| "id": "b3e749de", | ||
| "metadata": {}, | ||
| "outputs": [], | ||
| "source": [ | ||
| "url = urlparse.urlsplit(jupyter_notebook_url)\n", | ||
| "\n", | ||
| "query = urlparse.parse_qs(url.query)" | ||
| ] | ||
| }, | ||
| { | ||
| "cell_type": "code", | ||
| "execution_count": null, | ||
| "id": "c25a71a5", | ||
| "metadata": {}, | ||
| "outputs": [], | ||
| "source": [ | ||
| "from home.widgets import LogOutputWidget, Spinner, StatusHTML\n", | ||
| "from IPython.display import Javascript\n", | ||
| "\n", | ||
| "header = ipw.HTML()\n", | ||
| "logs = LogOutputWidget(layout=ipw.Layout(min_height=\"250px\", max_height=\"100px\"))\n", | ||
| "spinner = Spinner()\n", | ||
| "\n", | ||
| "display(ipw.VBox([ipw.HBox([header, spinner]), logs]))\n", | ||
| "\n", | ||
| "try:\n", | ||
| " try:\n", | ||
| " app_query = query[\"app\"][0]\n", | ||
| " except KeyError:\n", | ||
| " raise RuntimeError(\"No app to install specified.\")\n", | ||
| " \n", | ||
| " force = query.get(\"force\", [False])[0]\n", | ||
| " prereleases = query.get(\"prereleases\", [False])[0]\n", | ||
| " \n", | ||
| " app, version = identify_app_and_version(query[\"app\"][0], force=force, prereleases=prereleases)\n", | ||
| "except Exception as error:\n", | ||
| " header.value = f\"Error: {error}\"\n", | ||
| "\n", | ||
| "try:\n", | ||
| " if version is None:\n", | ||
| " header.value = \"App already installed.\"\n", | ||
| " else:\n", | ||
| " header.value = f\"Installing app '{app.name}': {version}...\"\n", | ||
| "\n", | ||
| " spinner.enabled = True\n", | ||
| " app.install(\n", | ||
| " version=version,\n", | ||
| " install_dependencies=True,\n", | ||
| " python_bin=sys.executable,\n", | ||
| " stdout=logs,\n", | ||
| " )\n", | ||
| "except Exception as error:\n", | ||
| " header.value = f\"Error while trying to install the app: {error}\"\n", | ||
| "else:\n", | ||
| " redirect = query.get(\"redirect\", None)\n", | ||
| " if redirect:\n", | ||
| " redirect_url = urlparse.urlunsplit(url._replace(path=redirect[0], query=None, fragment=None))\n", | ||
| " header.value = f'Redirecting now to <a href=\"{redirect_url}\">{redirect_url}</a>...'\n", | ||
| " js = Javascript(f\"window.location = '{redirect_url}'\")\n", | ||
| " display(js)\n", | ||
| "finally:\n", | ||
| " spinner.enabled = False" | ||
| ] | ||
| } | ||
| ], | ||
| "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": "3.7.9" | ||
| } | ||
| }, | ||
| "nbformat": 4, | ||
| "nbformat_minor": 5 | ||
| } |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,38 +1,42 @@ | ||
| [metadata] | ||
| name = aiidalab-home | ||
| name = aiidalab_home | ||
| version = attr: home.__version__ | ||
| author = The AiiDAlab Team | ||
| author_email = [email protected] | ||
| description = Package for the AiiDAlab Home app. | ||
| long_description = file: README.md | ||
| long_description_content_type = text/markdown | ||
| url = https://github.com/aiidalab/aiidalab-home | ||
| project_urls = | ||
| Bug Tracker = https://github.com/aiidalab/aiidalab-home/issues | ||
| author = The AiiDAlab Team | ||
| author_email = [email protected] | ||
| license = MIT | ||
| license_file = LICENSE.txt | ||
| classifiers = | ||
| Development Status :: 4 - Beta | ||
| Framework :: AiiDA | ||
| License :: OSI Approved :: MIT License | ||
| Programming Language :: Python :: 3.7 | ||
| Programming Language :: Python :: 3 | ||
| Programming Language :: Python :: 3 :: Only | ||
| Programming Language :: Python :: 3.8 | ||
| Programming Language :: Python :: 3.9 | ||
| Programming Language :: Python :: 3.10 | ||
| project_urls = | ||
| Bug Tracker = https://github.com/aiidalab/aiidalab-home/issues | ||
|
|
||
| [options] | ||
| packages = find: | ||
| python_requires = >=3.7 | ||
| install_requires = | ||
| aiidalab>=v21.06.0 | ||
| ipython~=7.25 | ||
| Jinja2>=2.11.3,<4 | ||
| Markdown>=3.4 | ||
| aiidalab>=v21.10.2 | ||
| ipython~=7.0 | ||
| ipywidgets~=7.6 | ||
| jinja2~=2.11 | ||
| traitlets~=4.3 | ||
| traitlets~=5.0 | ||
| python_requires = >=3.8 | ||
|
|
||
| [options.extras_require] | ||
| pre_commit = | ||
| pre-commit==2.15.0 | ||
|
|
||
| [flake8] | ||
| # Adapted from: https://github.com/CasperWA/voila-optimade-client | ||
| ignore = | ||
| E501 # Line length handled by black. | ||
| W503 # Line break before binary operator, preferred formatting for black. | ||
|
|
||