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horton
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<i class="fa fa-calendar"></i><time datetime="2014-12-09T00:09:00+01:00"> Tue 09 December 2014</time>
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<p>horton is a development platform for electronic structure methods. It can do electronic density partition with different methods. I am trying to install it on killdevil, now.</p>
<p>Here is how I use it on killdevil.</p>
<div class="highlight"><pre><span></span><code><span class="n">module</span> <span class="nb">load</span> <span class="n">anaconda</span>
<span class="n">module</span> <span class="nb">load</span> <span class="n">gcc</span><span class="o">/</span><span class="mf">4.8</span><span class="o">.</span><span class="mi">1</span>
<span class="n">source</span> <span class="n">activate</span> <span class="n">my_root</span>
<span class="n">cd</span> <span class="o">~/</span><span class="n">software</span>
<span class="n">mkdir</span> <span class="n">horton</span>
<span class="n">cd</span> <span class="n">horton</span>
<span class="n">wget</span> <span class="n">https</span><span class="p">:</span><span class="o">//</span><span class="n">github</span><span class="o">.</span><span class="n">com</span><span class="o">/</span><span class="n">theochem</span><span class="o">/</span><span class="n">horton</span><span class="o">/</span><span class="n">releases</span><span class="o">/</span><span class="n">download</span><span class="o">/</span><span class="mf">1.2</span><span class="o">.</span><span class="mi">1</span><span class="o">/</span><span class="n">horton</span><span class="o">-</span><span class="mf">1.2</span><span class="o">.</span><span class="mf">1.</span><span class="n">tar</span><span class="o">.</span><span class="n">gz</span>
<span class="n">tar</span> <span class="o">-</span><span class="n">xzvf</span> <span class="n">horton</span><span class="o">-</span><span class="mf">1.2</span><span class="o">.</span><span class="mf">1.</span><span class="n">tar</span><span class="o">.</span><span class="n">gz</span>
<span class="n">cd</span> <span class="n">horton</span><span class="o">-</span><span class="mf">1.2</span><span class="o">.</span><span class="mi">1</span>
</code></pre></div>
<p>I think anaconda has all packages needed for horton.</p>
<p>Then I do.</p>
<div class="highlight"><pre><span></span><code>cd depends
make libint
make libxc
cd ..
./setup.py install --user
</code></pre></div>
<p>After I do the tests,</p>
<div class="highlight"><pre><span></span><code>cd ~
nosetests -v horton
</code></pre></div>
<p>I got,</p>
<div class="highlight"><pre><span></span><code><span class="nb">----------------------------------------------------------------------</span><span class="c"></span>
<span class="c">Ran 755 tests in 386</span><span class="nt">.</span><span class="c">921s</span>
<span class="c">OK</span>
</code></pre></div>
<p>This means I have succesfully install horton.</p>
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