9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-07-26 04:17:29 +02:00
qp2/doc/users_guide/qp_plugins.html
2019-01-25 14:17:34 +01:00

374 lines
17 KiB
HTML

<!DOCTYPE html>
<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
<!--[if gt IE 8]><!--> <html class="no-js" lang="en" > <!--<![endif]-->
<head>
<meta charset="utf-8">
<meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>qp_plugins &mdash; Quantum Package 2.0 documentation</title>
<link rel="stylesheet" href="../_static/css/theme.css" type="text/css" />
<link rel="stylesheet" href="../_static/pygments.css" type="text/css" />
<link rel="index" title="Index" href="../genindex.html" />
<link rel="search" title="Search" href="../search.html" />
<link rel="next" title="Index of commands" href="index.html" />
<link rel="prev" title="Working with external plugins" href="plugins.html" />
<script src="../_static/js/modernizr.min.js"></script>
</head>
<body class="wy-body-for-nav">
<div class="wy-grid-for-nav">
<nav data-toggle="wy-nav-shift" class="wy-nav-side">
<div class="wy-side-scroll">
<div class="wy-side-nav-search">
<a href="../index.html" class="icon icon-home"> Quantum Package
</a>
<div class="version">
2.0
</div>
<div role="search">
<form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
<input type="text" name="q" placeholder="Search docs" />
<input type="hidden" name="check_keywords" value="yes" />
<input type="hidden" name="area" value="default" />
</form>
</div>
</div>
<div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="main navigation">
<p class="caption"><span class="caption-text">Introduction</span></p>
<ul>
<li class="toctree-l1"><a class="reference internal" href="../intro/install.html">Installation</a></li>
<li class="toctree-l1"><a class="reference internal" href="../intro/selected_ci.html">Selected Configuration Interaction</a></li>
</ul>
<p class="caption"><span class="caption-text">User's guide</span></p>
<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="quickstart.html">Quick-start guide</a></li>
<li class="toctree-l1"><a class="reference internal" href="interfaces.html">Interfaces</a></li>
<li class="toctree-l1"><a class="reference internal" href="excited_states.html">Excited states</a></li>
<li class="toctree-l1"><a class="reference internal" href="natural_orbitals.html">Natural orbitals</a></li>
<li class="toctree-l1"><a class="reference internal" href="printing.html">Printing the near-<abbr title="Full Configuration Interaction">FCI</abbr> wave function</a></li>
<li class="toctree-l1"><a class="reference internal" href="plugins.html">Working with external plugins</a></li>
<li class="toctree-l1 current"><a class="current reference internal" href="#">qp_plugins</a><ul>
<li class="toctree-l2"><a class="reference internal" href="#usage">Usage</a></li>
<li class="toctree-l2"><a class="reference internal" href="#example">Example</a></li>
</ul>
</li>
<li class="toctree-l1 current"><a class="reference internal" href="index.html">Index of commands</a><ul class="current">
<li class="toctree-l2"><a class="reference internal" href="configure.html">configure</a></li>
<li class="toctree-l2"><a class="reference internal" href="qpsh.html">qpsh</a></li>
<li class="toctree-l2"><a class="reference internal" href="qp_convert_output_to_ezfio.html">qp_convert_output_to_ezfio</a></li>
<li class="toctree-l2"><a class="reference internal" href="qp_create_ezfio_from_xyz.html">qp_create_ezfio</a></li>
<li class="toctree-l2"><a class="reference internal" href="qp_edit.html">qp_edit</a></li>
<li class="toctree-l2"><a class="reference internal" href="qp_export_as_tgz.html">qp_export_as_tgz</a></li>
<li class="toctree-l2 current"><a class="current reference internal" href="#">qp_plugins</a><ul>
<li class="toctree-l3"><a class="reference internal" href="#usage">Usage</a></li>
<li class="toctree-l3"><a class="reference internal" href="#example">Example</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="qp_run.html">qp_run</a></li>
<li class="toctree-l2"><a class="reference internal" href="qp_set_frozen_core.html">qp_set_frozen_core</a></li>
<li class="toctree-l2"><a class="reference internal" href="qp_set_mo_class.html">qp_set_mo_class</a></li>
<li class="toctree-l2"><a class="reference internal" href="qp_stop.html">qp_stop</a></li>
<li class="toctree-l2"><a class="reference internal" href="qp_update.html">qp_update</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="index.html#index-of-programs">Index of programs</a></li>
</ul>
<p class="caption"><span class="caption-text">Programmer's guide</span></p>
<ul>
<li class="toctree-l1"><a class="reference internal" href="../programmers_guide/programming.html">Programming in the <em>Quantum Package</em></a></li>
<li class="toctree-l1"><a class="reference internal" href="../programmers_guide/ezfio.html">EZFIO</a></li>
<li class="toctree-l1"><a class="reference internal" href="../programmers_guide/plugins.html">Developing plugins</a></li>
<li class="toctree-l1"><a class="reference internal" href="../programmers_guide/index.html">Index for programmers</a></li>
<li class="toctree-l1"><a class="reference internal" href="../programmers_guide/plugins.html">Developing plugins</a></li>
</ul>
<p class="caption"><span class="caption-text">Appendix</span></p>
<ul>
<li class="toctree-l1"><a class="reference internal" href="../appendix/benchmarks.html">Benchmarks</a></li>
<li class="toctree-l1"><a class="reference internal" href="../appendix/research.html">Some research made with the <em>Quantum Package</em></a></li>
<li class="toctree-l1"><a class="reference internal" href="../appendix/license.html">License</a></li>
<li class="toctree-l1"><a class="reference internal" href="../appendix/contributors.html">Contributors</a></li>
</ul>
</div>
</div>
</nav>
<section data-toggle="wy-nav-shift" class="wy-nav-content-wrap">
<nav class="wy-nav-top" aria-label="top navigation">
<i data-toggle="wy-nav-top" class="fa fa-bars"></i>
<a href="../index.html">Quantum Package</a>
</nav>
<div class="wy-nav-content">
<div class="rst-content">
<div role="navigation" aria-label="breadcrumbs navigation">
<ul class="wy-breadcrumbs">
<li><a href="../index.html">Docs</a> &raquo;</li>
<li>qp_plugins</li>
<li class="wy-breadcrumbs-aside">
<a href="../_sources/users_guide/qp_plugins.rst.txt" rel="nofollow"> View page source</a>
</li>
</ul>
<hr/>
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
<div class="section" id="qp-plugins">
<span id="id1"></span><h1>qp_plugins<a class="headerlink" href="#qp-plugins" title="Permalink to this headline"></a></h1>
<p>This command deals with all external plugins of <em>Quantum Package</em>. Plugin
repositories can be downloaded, and the plugins in these repositories
can be installed/uninstalled or created.</p>
<div class="section" id="usage">
<h2>Usage<a class="headerlink" href="#usage" title="Permalink to this headline"></a></h2>
<div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp_plugins</span> <span class="nb">list</span> <span class="p">[</span><span class="o">-</span><span class="n">i</span><span class="p">]</span> <span class="p">[</span><span class="o">-</span><span class="n">u</span><span class="p">]</span> <span class="p">[</span><span class="o">-</span><span class="n">q</span><span class="p">]</span>
<span class="n">qp_plugins</span> <span class="n">download</span> <span class="o">&lt;</span><span class="n">url</span><span class="o">&gt;</span>
<span class="n">qp_plugins</span> <span class="n">install</span> <span class="o">&lt;</span><span class="n">name</span><span class="o">&gt;...</span>
<span class="n">qp_plugins</span> <span class="n">uninstall</span> <span class="o">&lt;</span><span class="n">name</span><span class="o">&gt;</span>
<span class="n">qp_plugins</span> <span class="n">create</span> <span class="o">-</span><span class="n">n</span> <span class="o">&lt;</span><span class="n">name</span><span class="o">&gt;</span> <span class="p">[</span><span class="o">-</span><span class="n">r</span> <span class="o">&lt;</span><span class="n">repo</span><span class="o">&gt;</span><span class="p">]</span> <span class="p">[</span><span class="o">&lt;</span><span class="n">needed_modules</span><span class="o">&gt;...</span><span class="p">]</span>
</pre></div>
</div>
<dl class="option">
<dt id="cmdoption-qp-plugins-arg-list">
<code class="descname">list</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-plugins-arg-list" title="Permalink to this definition"></a></dt>
<dd><p>List all the available plugins.</p>
</dd></dl>
<dl class="option">
<dt id="cmdoption-qp-plugins-i">
<code class="descname">-i</code><code class="descclassname"></code><code class="descclassname">, </code><code class="descname">--installed</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-plugins-i" title="Permalink to this definition"></a></dt>
<dd><p>List all the <em>installed</em> plugins.</p>
</dd></dl>
<dl class="option">
<dt id="cmdoption-qp-plugins-u">
<code class="descname">-u</code><code class="descclassname"></code><code class="descclassname">, </code><code class="descname">--uninstalled</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-plugins-u" title="Permalink to this definition"></a></dt>
<dd><p>List all the <em>uninstalled</em> plugins.</p>
</dd></dl>
<dl class="option">
<dt id="cmdoption-qp-plugins-q">
<code class="descname">-q</code><code class="descclassname"></code><code class="descclassname">, </code><code class="descname">--repositories</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-plugins-q" title="Permalink to this definition"></a></dt>
<dd><p>List all the downloaded repositories.</p>
</dd></dl>
<dl class="option">
<dt id="cmdoption-qp-plugins-arg-download">
<code class="descname">download</code><code class="descclassname"> &lt;url&gt;</code><a class="headerlink" href="#cmdoption-qp-plugins-arg-download" title="Permalink to this definition"></a></dt>
<dd><p>Download an external repository. The URL points to a tar.gz file or a
git repository, for example:</p>
<ul class="simple">
<li><a class="reference external" href="http://example.com/site/example.tar.gz">http://example.com/site/example.tar.gz</a></li>
<li><a class="reference external" href="mailto:git&#37;&#52;&#48;gitlab&#46;com">git<span>&#64;</span>gitlab<span>&#46;</span>com</a>:user/example_repository</li>
</ul>
</dd></dl>
<dl class="option">
<dt id="cmdoption-qp-plugins-arg-install">
<code class="descname">install</code><code class="descclassname"> &lt;plugin_name&gt;</code><a class="headerlink" href="#cmdoption-qp-plugins-arg-install" title="Permalink to this definition"></a></dt>
<dd><p>Install the plugin <code class="docutils literal notranslate"><span class="pre">plugin_name</span></code>.</p>
</dd></dl>
<dl class="option">
<dt id="cmdoption-qp-plugins-arg-uninstall">
<code class="descname">uninstall</code><code class="descclassname"> &lt;plugin_name&gt;</code><a class="headerlink" href="#cmdoption-qp-plugins-arg-uninstall" title="Permalink to this definition"></a></dt>
<dd><p>Uninstall the plugin <code class="docutils literal notranslate"><span class="pre">plugin_name</span></code>.</p>
</dd></dl>
<dl class="option">
<dt id="cmdoption-qp-plugins-n">
<code class="descname">-n</code><code class="descclassname"></code><code class="descclassname">, </code><code class="descname">--name</code><code class="descclassname">=&lt;plugin_name&gt;</code><a class="headerlink" href="#cmdoption-qp-plugins-n" title="Permalink to this definition"></a></dt>
<dd><p>Create a new plugin named <code class="docutils literal notranslate"><span class="pre">plugin_name</span></code> (in local repository by default).</p>
</dd></dl>
<dl class="option">
<dt id="cmdoption-qp-plugins-r">
<code class="descname">-r</code><code class="descclassname"></code><code class="descclassname">, </code><code class="descname">--repository</code><code class="descclassname">=&lt;repo&gt;</code><a class="headerlink" href="#cmdoption-qp-plugins-r" title="Permalink to this definition"></a></dt>
<dd><p>Specify in which repository the new plugin will be created.</p>
</dd></dl>
</div>
<div class="section" id="example">
<h2>Example<a class="headerlink" href="#example" title="Permalink to this headline"></a></h2>
<p>Let us download, install and compile some specific external plugins from
<a class="reference external" href="https://gitlab.com/eginer/qp_plugins_eginer">https://gitlab.com/eginer/qp_plugins_eginer</a> .</p>
<p>First, download the git repo associated to these plugins. To do so,
first go to the <cite>plugins</cite> directory in the <em>Quantum Package</em> and execute:</p>
<div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp_plugins</span> <span class="n">download</span> <span class="n">https</span><span class="p">:</span><span class="o">//</span><span class="n">gitlab</span><span class="o">.</span><span class="n">com</span><span class="o">/</span><span class="n">eginer</span><span class="o">/</span><span class="n">qp_plugins_eginer</span>
</pre></div>
</div>
<p>This will create in the directory <cite>plugins</cite> a local copy of
the git repo located at the URL you indicated. Then, go in
<cite>qp_plugins_eginer/stable/</cite></p>
<div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">cd</span> <span class="n">qp_plugins_eginer</span><span class="o">/</span><span class="n">stable</span><span class="o">/</span>
</pre></div>
</div>
<p>In the directory <cite>stable</cite>, there are many directories which all
correspond to a specific plugin that have been developed by the person
in charge of the repository. All these plugins might use some global
variables and routines contained in the core modules of the <em>Quantum Package</em>.</p>
<p>Now let us install the plugin <cite>rsdft_cipsi</cite>:</p>
<div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp_plugins</span> <span class="n">install</span> <span class="n">rsdft_cipsi</span>
</pre></div>
</div>
<p>This will link this directory to the <em>Quantum Package</em> which means that when the code
will be compiled, this plugin will be compiled to and therefore all the
executables/scripts/input keywords contained in this module will be
available as if there were part of the core of the <em>Quantum Package</em>.</p>
<p>Then, to compile the new plugin, just recompile the <em>Quantum Package</em> as usual by
going at the root of the <em>Quantum Package</em> directory:</p>
<div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span>cd $QP_ROOT
ninja
</pre></div>
</div>
<p>Finally, if you go back to the plugin directory you just installed, you
should see all the executables/scripts which have been created and which
are now available with the <cite>qp_run</cite> command.</p>
</div>
</div>
</div>
</div>
<footer>
<div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
<a href="index.html" class="btn btn-neutral float-right" title="Index of commands" accesskey="n" rel="next">Next <span class="fa fa-arrow-circle-right"></span></a>
<a href="plugins.html" class="btn btn-neutral" title="Working with external plugins" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left"></span> Previous</a>
</div>
<hr/>
<div role="contentinfo">
<p>
&copy; Copyright 2018, A. Scemama, E. Giner
</p>
</div>
Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/rtfd/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>.
</footer>
</div>
</div>
</section>
</div>
<script type="text/javascript" id="documentation_options" data-url_root="../" src="../_static/documentation_options.js"></script>
<script type="text/javascript" src="../_static/jquery.js"></script>
<script type="text/javascript" src="../_static/underscore.js"></script>
<script type="text/javascript" src="../_static/doctools.js"></script>
<script async="async" type="text/javascript" src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.1/MathJax.js?config=TeX-AMS-MML_HTMLorMML"></script>
<script type="text/javascript" src="../_static/js/theme.js"></script>
<script type="text/javascript">
jQuery(function () {
SphinxRtdTheme.Navigation.enable(true);
});
</script>
</body>
</html>