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<html lang="en"><head><meta charset="UTF-8"/><meta name="viewport" content="width=device-width, initial-scale=1.0"/><title>Installation · DFTK.jl</title><link rel="canonical" href="https://juliamolsim.github.io/DFTK.jl/stable/guide/installation/"/><link href="https://fonts.googleapis.com/css?family=Lato|Roboto+Mono" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.11.2/css/fontawesome.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.11.2/css/solid.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.11.2/css/brands.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.11.1/katex.min.css" rel="stylesheet" type="text/css"/><script>documenterBaseURL="../.."</script><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.6/require.min.js" data-main="../../assets/documenter.js"></script><script src="../../siteinfo.js"></script><script src="../../../versions.js"></script><link href="../../assets/favicon.ico" rel="icon" type="image/x-icon"/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../../assets/themes/documenter-dark.css" data-theme-name="documenter-dark"/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../../assets/themes/documenter-light.css" data-theme-name="documenter-light" data-theme-primary/><script src="../../assets/themeswap.js"></script></head><body><div id="documenter"><nav class="docs-sidebar"><a class="docs-logo" href="../../"><img src="../../assets/logo.png" alt="DFTK.jl logo"/></a><div class="docs-package-name"><span class="docs-autofit">DFTK.jl</span></div><form class="docs-search" action="../../search/"><input class="docs-search-query" id="documenter-search-query" name="q" type="text" placeholder="Search docs"/></form><ul class="docs-menu"><li><a class="tocitem" href="../../">Home</a></li><li><span class="tocitem">Getting started</span><ul><li class="is-active"><a class="tocitem" href>Installation</a><ul class="internal"><li><a class="tocitem" href="#Python-dependencies-1"><span>Python dependencies</span></a></li></ul></li><li><a class="tocitem" href="../tutorial/">Tutorial</a></li></ul></li><li><span class="tocitem">Examples</span><ul><li><a class="tocitem" href="../../examples/metallic_systems/">Temperature and metallic systems</a></li><li><a class="tocitem" href="../../examples/pymatgen/">Creating supercells with pymatgen</a></li><li><a class="tocitem" href="../../examples/ase/">Creating slabs with ASE</a></li><li><a class="tocitem" href="../../examples/gross_pitaevskii/">Gross-Pitaevskii equation in one dimension</a></li><li><a class="tocitem" href="../../examples/gross_pitaevskii_2D/">Gross-Pitaevskii equation with magnetism</a></li><li><a class="tocitem" href="../../examples/cohen_bergstresser/">Cohen-Bergstresser model</a></li><li><a class="tocitem" href="../../examples/arbitrary_floattype/">Arbitrary floating-point types</a></li><li><a class="tocitem" href="../../examples/custom_solvers/">Custom solvers</a></li><li><a class="tocitem" href="../../examples/custom_potential/">Custom potential</a></li></ul></li><li><span class="tocitem">Advanced topics</span><ul><li><a class="tocitem" href="../../advanced/conventions/">Notation and conventions</a></li><li><a class="tocitem" href="../../advanced/data_structures/">Data structures</a></li><li><a class="tocitem" href="../../advanced/useful_formulas/">Useful formulas</a></li><li><a class="tocitem" href="../../advanced/symmetries/">Crystal symmetries</a></li></ul></li><li><a class="tocitem" href="../../api/">API reference</a></li><li><a class="tocitem" href="../../publications/">Publications</a></li><li><a class="tocitem" href="../../contributing/">Contributing</a></li></ul><div class="docs-version-selector field has-addons"><div class="control"><span class="docs-label button is-static is-size-7">Version</span></div><div class="docs-selector control is-expanded"><div class="select is-fullwidth is-size-7"><select id="documenter-version-selector"></select></div></div></div></nav><div class="docs-main"><header class="docs-navbar"><nav class="breadcrumb"><ul class="is-hidden-mobile"><li><a class="is-disabled">Getting started</a></li><li class="is-active"><a href>Installation</a></li></ul><ul class="is-hidden-tablet"><li class="is-active"><a href>Installation</a></li></ul></nav><div class="docs-right"><a class="docs-edit-link" href="https://github.com/JuliaMolSim/DFTK.jl/blob/master/docs/src/guide/installation.md" title="Edit on GitHub"><span class="docs-icon fab"></span><span class="docs-label is-hidden-touch">Edit on GitHub</span></a><a class="docs-settings-button fas fa-cog" id="documenter-settings-button" href="#" title="Settings"></a><a class="docs-sidebar-button fa fa-bars is-hidden-desktop" id="documenter-sidebar-button" href="#"></a></div></header><article class="content" id="documenter-page"><h1 id="Installation-1"><a class="docs-heading-anchor" href="#Installation-1">Installation</a><a class="docs-heading-anchor-permalink" href="#Installation-1" title="Permalink"></a></h1><p>Similar to <a href="https://julialang.github.io/Pkg.jl/v1/getting-started/">installing any other registered package</a> in Julia just run from a Julia REPL:</p><pre><code class="language-none">] add DFTK</code></pre><p>or if you like to be fully up to date:</p><pre><code class="language-none">] add DFTK#master</code></pre><p>At least <strong>Julia 1.3</strong> is required.</p><h2 id="Python-dependencies-1"><a class="docs-heading-anchor" href="#Python-dependencies-1">Python dependencies</a><a class="docs-heading-anchor-permalink" href="#Python-dependencies-1" title="Permalink"></a></h2><p>Some parts of the code require a working Python installation with the <a href="https://pymatgen.org/"><code>pymatgen</code></a> module. Check out which version of python is used by the <a href="https://github.com/JuliaPy/PyCall.jl">PyCall.jl</a> package. You can do this for example with the Julia commands</p><pre><code class="language-julia">using PyCall
PyCall.python</code></pre><p>Then use the corresponding package manager (usually <code>apt</code>, <code>pip</code>, <code>pip3</code> or <code>conda</code>) to install aforementioned libraries, for example</p><pre><code class="language-none">pip install pymatgen</code></pre><p>or</p><pre><code class="language-none">conda install -c conda-forge pymatgen</code></pre><p>Afterwards you're all set and should be able to run the code in the <a href="https://dftk.org/tree/master/examples"><code>examples</code> directory</a>.</p></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../../">« Home</a><a class="docs-footer-nextpage" href="../tutorial/">Tutorial »</a></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> on <span class="colophon-date" title="Wednesday 24 June 2020 09:49">Wednesday 24 June 2020</span>. Using Julia version 1.3.1.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>