Update to v0.2.2

hackingmaterials · Jan 31, 2018 · 7da0d3d · 7da0d3d
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diff --git a/docs/_sources/changelog.rst.txt b/docs/_sources/changelog.rst.txt
@@ -5,6 +5,19 @@
 matminer Changelog
 ==================
 
+**v0.2.2**
+
+.. warning:: Py2 compatibility is officially dropped in this version. Please upgrade to Python 3.x.
+
+* multiprocessing for pandas dataframes (A. Dunn, L. Ward)
+* new CoordinationNumber site featurizer based on NearNeighbor algos (N. Zimmermann)
+* update OP fingerprints for latest pymatgen (N. Zimmermann)
+* OPStructureFingerprint -> SiteStatsFingerprint that takes in any site fingerprint function (A. Jain)
+* Add BondFractions featurizer (A. Dunn)
+* multi-index for pandas dataframes (A. Dunn)
+* cleanup of formatting for citations, implementors, feature_labels to always be list (N. Zimmermann)
+* minor bug fixes, cleanups, slighly improved docs, etc.
+
 **v0.2.1**
 
 * further improvements to test data sets (K. Bystrom)

diff --git a/docs/_sources/installation.rst.txt b/docs/_sources/installation.rst.txt
@@ -7,7 +7,7 @@
 Installing matminer
 ===================
 
-Matminer requires Python 3.x (Python 2.x might work for some time, but the underlying pymatgen library is discontinuing Python 2 support in 2018).
+Matminer requires Python 3.x (Python 2.x might work sporadically, but you may get errors for certain features and is **unsupported**. We really recommend you upgrade to Py3.x).
 
 There are a couple of quick and easy ways to install matminer:
 

diff --git a/docs/changelog.html b/docs/changelog.html
@@ -5,13 +5,13 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>MatMiner Changlog &#8212; matminer 0.2.1 documentation</title>
+    <title>MatMiner Changlog &#8212; matminer 0.2.2 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    './',
-        VERSION:     '0.2.1',
+        VERSION:     '0.2.2',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true,
@@ -37,7 +37,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -48,6 +48,21 @@ <h3>Navigation</h3>
 
   <div class="section" id="matminer-changelog">
 <h1>matminer Changelog<a class="headerlink" href="#matminer-changelog" title="Permalink to this headline">¶</a></h1>
+<p><strong>v0.2.2</strong></p>
+<div class="admonition warning">
+<p class="first admonition-title">Warning</p>
+<p class="last">Py2 compatibility is officially dropped in this version. Please upgrade to Python 3.x.</p>
+</div>
+<ul class="simple">
+<li>multiprocessing for pandas dataframes (A. Dunn, L. Ward)</li>
+<li>new CoordinationNumber site featurizer based on NearNeighbor algos (N. Zimmermann)</li>
+<li>update OP fingerprints for latest pymatgen (N. Zimmermann)</li>
+<li>OPStructureFingerprint -&gt; SiteStatsFingerprint that takes in any site fingerprint function (A. Jain)</li>
+<li>Add BondFractions featurizer (A. Dunn)</li>
+<li>multi-index for pandas dataframes (A. Dunn)</li>
+<li>cleanup of formatting for citations, implementors, feature_labels to always be list (N. Zimmermann)</li>
+<li>minor bug fixes, cleanups, slighly improved docs, etc.</li>
+</ul>
 <p><strong>v0.2.1</strong></p>
 <ul class="simple">
 <li>further improvements to test data sets (K. Bystrom)</li>
@@ -196,7 +211,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/contributors.html b/docs/contributors.html
@@ -5,13 +5,13 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>MatMiner Contributors &#8212; matminer 0.2.1 documentation</title>
+    <title>MatMiner Contributors &#8212; matminer 0.2.2 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    './',
-        VERSION:     '0.2.1',
+        VERSION:     '0.2.2',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true,
@@ -37,7 +37,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -137,7 +137,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/example_bulkmod.html b/docs/example_bulkmod.html
@@ -5,13 +5,13 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>Predicting bulk moduli with matminer &#8212; matminer 0.2.1 documentation</title>
+    <title>Predicting bulk moduli with matminer &#8212; matminer 0.2.2 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    './',
-        VERSION:     '0.2.1',
+        VERSION:     '0.2.2',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true,
@@ -37,7 +37,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -368,7 +368,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/genindex.html b/docs/genindex.html
@@ -6,13 +6,13 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>Index &#8212; matminer 0.2.1 documentation</title>
+    <title>Index &#8212; matminer 0.2.2 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    './',
-        VERSION:     '0.2.1',
+        VERSION:     '0.2.2',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true,
@@ -38,7 +38,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -1099,7 +1099,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/index.html b/docs/index.html
@@ -5,13 +5,13 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>matminer (Materials Data Mining) &#8212; matminer 0.2.1 documentation</title>
+    <title>matminer (Materials Data Mining) &#8212; matminer 0.2.2 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    './',
-        VERSION:     '0.2.1',
+        VERSION:     '0.2.2',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true,
@@ -37,7 +37,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="#">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="#">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -211,7 +211,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="#">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="#">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/installation.html b/docs/installation.html
@@ -5,13 +5,13 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>Installing matminer &#8212; matminer 0.2.1 documentation</title>
+    <title>Installing matminer &#8212; matminer 0.2.2 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    './',
-        VERSION:     '0.2.1',
+        VERSION:     '0.2.2',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true,
@@ -37,7 +37,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -48,7 +48,7 @@ <h3>Navigation</h3>
 
   <div class="section" id="installing-matminer">
 <span id="installation-tutorial"></span><h1>Installing matminer<a class="headerlink" href="#installing-matminer" title="Permalink to this headline">¶</a></h1>
-<p>Matminer requires Python 3.x (Python 2.x might work for some time, but the underlying pymatgen library is discontinuing Python 2 support in 2018).</p>
+<p>Matminer requires Python 3.x (Python 2.x might work sporadically, but you may get errors for certain features and is <strong>unsupported</strong>. We really recommend you upgrade to Py3.x).</p>
 <p>There are a couple of quick and easy ways to install matminer:</p>
 <div class="section" id="install-and-update-via-pip">
 <h2>Install and update via pip<a class="headerlink" href="#install-and-update-via-pip" title="Permalink to this headline">¶</a></h2>
@@ -127,7 +127,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/matminer.data_retrieval.html b/docs/matminer.data_retrieval.html
@@ -5,13 +5,13 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>matminer.data_retrieval package &#8212; matminer 0.2.1 documentation</title>
+    <title>matminer.data_retrieval package &#8212; matminer 0.2.2 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    './',
-        VERSION:     '0.2.1',
+        VERSION:     '0.2.2',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true,
@@ -37,7 +37,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -294,7 +294,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/matminer.datasets.html b/docs/matminer.datasets.html
@@ -5,13 +5,13 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>matminer.datasets package &#8212; matminer 0.2.1 documentation</title>
+    <title>matminer.datasets package &#8212; matminer 0.2.2 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    './',
-        VERSION:     '0.2.1',
+        VERSION:     '0.2.2',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true,
@@ -37,7 +37,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -134,7 +134,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/matminer.datasets.test_datasets.html b/docs/matminer.datasets.test_datasets.html
@@ -5,13 +5,13 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>matminer.datasets.test_datasets package &#8212; matminer 0.2.1 documentation</title>
+    <title>matminer.datasets.test_datasets package &#8212; matminer 0.2.2 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    './',
-        VERSION:     '0.2.1',
+        VERSION:     '0.2.2',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true,
@@ -37,7 +37,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -126,7 +126,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/matminer.descriptors.html b/docs/matminer.descriptors.html
@@ -5,13 +5,13 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>matminer.descriptors package &#8212; matminer 0.2.1 documentation</title>
+    <title>matminer.descriptors package &#8212; matminer 0.2.2 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    './',
-        VERSION:     '0.2.1',
+        VERSION:     '0.2.2',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true,
@@ -37,7 +37,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -117,7 +117,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.1 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.2.2 documentation</a> &#187;</li> 
       </ul>
     </div>