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| --- | ||
| # This workflow will upload a Python Package using Twine when a release is created | ||
| # For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python#publishing-to-package-registries | ||
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| # This workflow uses actions that are not certified by GitHub. | ||
| # They are provided by a third-party and are governed by | ||
| # separate terms of service, privacy policy, and support | ||
| # documentation. | ||
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| name: Upload Python Package | ||
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| on: | ||
| release: | ||
| types: [published] | ||
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| permissions: | ||
| contents: read | ||
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| jobs: | ||
| deploy: | ||
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| runs-on: ubuntu-latest | ||
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| steps: | ||
| - uses: actions/checkout@v3 | ||
| - name: Set up Python | ||
| uses: actions/setup-python@v3 | ||
| with: | ||
| python-version: 3.x | ||
| - name: Install dependencies | ||
| run: | | ||
| python -m pip install --upgrade pip | ||
| pip install build | ||
| - name: Build package | ||
| run: python -m build | ||
| - name: Publish package | ||
| uses: pypa/gh-action-pypi-publish@27b31702a0e7fc50959f5ad993c78deac1bdfc29 | ||
| with: | ||
| user: __token__ | ||
| password: ${{ secrets.PYPI_API_TOKEN }} |
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,142 @@ | ||
| { | ||
| "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 | View history'" | ||
| ] | ||
| }, | ||
| { | ||
| "cell_type": "code", | ||
| "execution_count": null, | ||
| "metadata": {}, | ||
| "outputs": [], | ||
| "source": [ | ||
| "%%capture\n", | ||
| "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": "markdown", | ||
| "metadata": {}, | ||
| "source": [ | ||
| "# AiiDAlab Quantum ESPRESSO - Calculation history" | ||
| ] | ||
| }, | ||
| { | ||
| "cell_type": "code", | ||
| "execution_count": null, | ||
| "metadata": {}, | ||
| "outputs": [], | ||
| "source": [ | ||
| "import ipywidgets as ipw\n", | ||
| "from importlib_resources import files\n", | ||
| "from jinja2 import Environment\n", | ||
| "\n", | ||
| "from aiidalab_qe.app.static import templates\n", | ||
| "from aiidalab_qe.common.infobox import InfoBox\n", | ||
| "\n", | ||
| "env = Environment()\n", | ||
| "guide_template = (\n", | ||
| " files(templates).joinpath(\"calculation_history_guide.jinja\").read_text()\n", | ||
| ")\n", | ||
| "guide = ipw.HTML(env.from_string(guide_template).render())\n", | ||
| "\n", | ||
| "\n", | ||
| "info_container = InfoBox(layout=ipw.Layout(margin=\"14px 2px 0\"))\n", | ||
| "guide_toggle = ipw.ToggleButton(\n", | ||
| " layout=ipw.Layout(width=\"150px\"),\n", | ||
| " button_style=\"\",\n", | ||
| " icon=\"book\",\n", | ||
| " value=False,\n", | ||
| " description=\"Page guide\",\n", | ||
| " tooltip=\"Learn how to use the app\",\n", | ||
| " disabled=False,\n", | ||
| ")\n", | ||
| "\n", | ||
| "\n", | ||
| "def _on_guide_toggle(change: dict):\n", | ||
| " \"\"\"Toggle the guide section.\"\"\"\n", | ||
| " if change[\"new\"]:\n", | ||
| " info_container.children = [\n", | ||
| " guide,\n", | ||
| " ]\n", | ||
| " info_container.layout.display = \"flex\"\n", | ||
| " else:\n", | ||
| " info_container.children = []\n", | ||
| " info_container.layout.display = \"none\"\n", | ||
| "\n", | ||
| "\n", | ||
| "guide_toggle.observe(\n", | ||
| " _on_guide_toggle,\n", | ||
| " \"value\",\n", | ||
| ")\n", | ||
| "\n", | ||
| "controls = ipw.VBox(children=[guide_toggle, info_container])\n", | ||
| "controls" | ||
| ] | ||
| }, | ||
| { | ||
| "cell_type": "code", | ||
| "execution_count": null, | ||
| "metadata": {}, | ||
| "outputs": [], | ||
| "source": [ | ||
| "from aiidalab_qe.app.utils.search_jobs import CalculationHistory\n", | ||
| "\n", | ||
| "calculation_history = CalculationHistory()\n", | ||
| "calculation_history.main" | ||
| ] | ||
| }, | ||
| { | ||
| "cell_type": "code", | ||
| "execution_count": null, | ||
| "metadata": {}, | ||
| "outputs": [], | ||
| "source": [ | ||
| "calculation_history.load_table()" | ||
| ] | ||
| } | ||
| ], | ||
| "metadata": { | ||
| "kernelspec": { | ||
| "display_name": "base", | ||
| "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" | ||
| } | ||
| }, | ||
| "nbformat": 4, | ||
| "nbformat_minor": 2 | ||
| } |
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