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  33. <li class="toctree-l1 current"><a class="current reference internal" href="#">Installing</a><ul>
  34. <li class="toctree-l2"><a class="reference internal" href="#prerequisites">Prerequisites</a></li>
  35. <li class="toctree-l2"><a class="reference internal" href="#installing-from-pypi">Installing from PyPI</a></li>
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  62. <div class="section" id="installing">
  63. <span id="id1"></span><h1>Installing<a class="headerlink" href="#installing" title="Permalink to this headline">¶</a></h1>
  64. <p>There are a few things you have to do to install QCGPU.</p>
  65. <div class="section" id="prerequisites">
  66. <h2>Prerequisites<a class="headerlink" href="#prerequisites" title="Permalink to this headline">¶</a></h2>
  67. <ul class="simple">
  68. <li><a class="reference external" href="https://www.khronos.org/opencl/">OpenCL</a> (Ensure that an OpenCL implementation is installed for your
  69. platform and that <code class="docutils literal notranslate"><span class="pre">clinfo</span></code> or some other diagnostic command will
  70. run).</li>
  71. <li><a class="reference external" href="https://www.python.org/">Python</a> (Version 2.7 or later).</li>
  72. </ul>
  73. </div>
  74. <div class="section" id="installing-from-pypi">
  75. <h2>Installing from PyPI<a class="headerlink" href="#installing-from-pypi" title="Permalink to this headline">¶</a></h2>
  76. <p>This library is distributed on <a class="reference external" href="https://pypi.python.org/pypi/qcgpu">PyPI</a> and can be installed using pip:</p>
  77. <div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span>$ pip install qcgpu
  78. </pre></div>
  79. </div>
  80. <p>If you run into any issues, you should try installing from source.</p>
  81. </div>
  82. <div class="section" id="installing-from-source">
  83. <h2>Installing from Source<a class="headerlink" href="#installing-from-source" title="Permalink to this headline">¶</a></h2>
  84. <p>You can install QCGPU from the source. First, clone the repository off
  85. GitHub:</p>
  86. <div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span>$ git clone https://github.com/qcgpu/qcgpu
  87. </pre></div>
  88. </div>
  89. <p>Then you will need to <code class="docutils literal notranslate"><span class="pre">cd</span></code> into the directory, and install the
  90. requirements.</p>
  91. <div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span>$ pip install -r requirements.txt
  92. </pre></div>
  93. </div>
  94. <p>And finally you can install:</p>
  95. <div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span>$ python setup.py install
  96. </pre></div>
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