Update to v1.9.3

materialsproject · Jun 25, 2019 · f7fb69a · f7fb69a
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diff --git a/docs/_sources/changelog.rst.txt b/docs/_sources/changelog.rst.txt
@@ -2,6 +2,14 @@
 FireWorks Changelog
 ===================
 
+**v1.9.3**
+
+.. caution:: if you set ``optional_params`` in your FireTask, these will be strictly checked in FWS v1.9.3 and greater!
+
+* strict checking of ``optional_params`` in a FireTask. If (and only if) ``optional_params`` is set, any parameter passed to a FireTask outside of ``required_params`` and ``optional_params`` will throw an error. If you want to merely suggest potential optional parameters without strict checking, we suggest you rename to ``other_params`` as was done for ``ScriptTask``.
+* add option for detect_lostruns command to set launch restrictions (e.g., restrict to certain host) (thanks to M. Siron for suggestion)
+* Add ``core_spec`` to SLURM template (M. Horton)
+
 **v1.9.2**
 
 * code cleanups (should not affect any functions)

diff --git a/docs/_sources/contributors.rst.txt b/docs/_sources/contributors.rst.txt
@@ -59,6 +59,7 @@ Thanks for helpful discussions:
 * Akira Takahashi
 * J. Hörmann
 * Marnik Bercx
+* Martin Siron
 * User: Primer
 * User: tahorst
 

diff --git a/docs/_sources/guide_to_writing_firetasks.rst.txt b/docs/_sources/guide_to_writing_firetasks.rst.txt
@@ -57,7 +57,7 @@ You can copy this code to a new place and make the following modifications in or
     * *Keep this intact.*
 * The ``_fw_name`` is how this Firetask is identified. It must be a unique name that is always retained. See the Appendix section for working around this and an alternate formulations for identifying the Firetask.
     * *Change the ``fw_name`` value to a desired identifier for your Firetask, e.g. MyFavoriteTask.*
-* The ``required_params`` and ``optional_params`` relate to how the Firetask is constructed. In the example above, an *ArchiveTask* could be instantiated using something like ``my_task = ArchiveTask(base_name="my_filename", format="bztar")``. Because ``base_name`` is in ``required_params``, it **must** be specified (``optional_params`` does not actually *do* anything).
+* The ``required_params`` and ``optional_params`` relate to how the Firetask is constructed. As a developer, you can choose whether to add these variables or not - if you do set them, they help with safety and also documentation, thus they are recommended.  In the example above, an *ArchiveTask* could be instantiated using something like ``my_task = ArchiveTask(base_name="my_filename", format="bztar")``. Because ``base_name`` is in ``required_params``, it **must** be specified by the user or the FireTask will throw an error. Because ``optional_params`` is also set in this example, the Firetask will perform an additional safety check: it will throw an error if the user attempts to initialize ``ArchiveTask`` with any keyword arguments other than those listed in either ``required_params`` or ``optional_params``.
     * *Add your required and optional parameters as desired.*
 * The meat of the Firetask is the ``run_task(self, fw_spec)`` method. It has two sources of information: the keys in ``fw_spec`` and a dictionary of ``self`` (which includes parameters like ``base_name`` used to construct the object). In this case, it's tarring and gzipping some files according to the parameters the dictionary of itself, and ignoring anything in the ``fw_spec``.
     *Keep the run_task method header intact, but change the definition to your custom operation. Remember you can access dict keys of "fw_spec" as well as dict keys of "self"*

diff --git a/docs/_static/documentation_options.js b/docs/_static/documentation_options.js
@@ -1,6 +1,6 @@
 var DOCUMENTATION_OPTIONS = {
     URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
-    VERSION: '1.9.2',
+    VERSION: '1.9.3',
     LANGUAGE: 'None',
     COLLAPSE_INDEX: false,
     FILE_SUFFIX: '.html',

diff --git a/docs/backgroundtask.html b/docs/backgroundtask.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>Running Tasks in the Background &#8212; FireWorks 1.9.2 documentation</title>
+    <title>Running Tasks in the Background &#8212; FireWorks 1.9.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -36,7 +36,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="duplicates_tutorial.html" title="Handling Duplicates Automatically"
              accesskey="P">previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -188,7 +188,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="duplicates_tutorial.html" title="Handling Duplicates Automatically"
              >previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/basesite_tutorial.html b/docs/basesite_tutorial.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>Using the Web GUI &#8212; FireWorks 1.9.2 documentation</title>
+    <title>Using the Web GUI &#8212; FireWorks 1.9.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -36,7 +36,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="query_tutorial.html" title="Querying FireWorks and Workflows / Generating Reports"
              accesskey="P">previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -154,7 +154,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="query_tutorial.html" title="Querying FireWorks and Workflows / Generating Reports"
              >previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/changelog.html b/docs/changelog.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>FireWorks Changelog &#8212; FireWorks 1.9.2 documentation</title>
+    <title>FireWorks Changelog &#8212; FireWorks 1.9.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -32,7 +32,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="guide_to_writing_firetasks.html" title="The Comprehensive Guide to Writing Firetasks with Python"
              accesskey="P">previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -43,6 +43,16 @@ <h3>Navigation</h3>
 
   <div class="section" id="fireworks-changelog">
 <h1>FireWorks Changelog<a class="headerlink" href="#fireworks-changelog" title="Permalink to this headline">¶</a></h1>
+<p><strong>v1.9.3</strong></p>
+<div class="admonition caution">
+<p class="first admonition-title">Caution</p>
+<p class="last">if you set <code class="docutils literal notranslate"><span class="pre">optional_params</span></code> in your FireTask, these will be strictly checked in FWS v1.9.3 and greater!</p>
+</div>
+<ul class="simple">
+<li>strict checking of <code class="docutils literal notranslate"><span class="pre">optional_params</span></code> in a FireTask. If (and only if) <code class="docutils literal notranslate"><span class="pre">optional_params</span></code> is set, any parameter passed to a FireTask outside of <code class="docutils literal notranslate"><span class="pre">required_params</span></code> and <code class="docutils literal notranslate"><span class="pre">optional_params</span></code> will throw an error. If you want to merely suggest potential optional parameters without strict checking, we suggest you rename to <code class="docutils literal notranslate"><span class="pre">other_params</span></code> as was done for <code class="docutils literal notranslate"><span class="pre">ScriptTask</span></code>.</li>
+<li>add option for detect_lostruns command to set launch restrictions (e.g., restrict to certain host) (thanks to M. Siron for suggestion)</li>
+<li>Add <code class="docutils literal notranslate"><span class="pre">core_spec</span></code> to SLURM template (M. Horton)</li>
+</ul>
 <p><strong>v1.9.2</strong></p>
 <ul class="simple">
 <li>code cleanups (should not affect any functions)</li>
@@ -1142,7 +1152,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="guide_to_writing_firetasks.html" title="The Comprehensive Guide to Writing Firetasks with Python"
              >previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/config_tutorial.html b/docs/config_tutorial.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>Modifying the FW Config &#8212; FireWorks 1.9.2 documentation</title>
+    <title>Modifying the FW Config &#8212; FireWorks 1.9.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -36,7 +36,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="security_tutorial.html" title="Configuring Security"
              accesskey="P">previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -213,7 +213,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="security_tutorial.html" title="Configuring Security"
              >previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/contributing.html b/docs/contributing.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>Contributing Code to FireWorks &#8212; FireWorks 1.9.2 documentation</title>
+    <title>Contributing Code to FireWorks &#8212; FireWorks 1.9.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -28,7 +28,7 @@ <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">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -138,7 +138,7 @@ <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">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/contributors.html b/docs/contributors.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>Contributors &#8212; FireWorks 1.9.2 documentation</title>
+    <title>Contributors &#8212; FireWorks 1.9.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -28,7 +28,7 @@ <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">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -95,6 +95,7 @@ <h1>Contributors<a class="headerlink" href="#contributors" title="Permalink to t
 * Akira Takahashi
 * J. Hörmann
 * Marnik Bercx
+* Martin Siron
 * User: Primer
 * User: tahorst</p>
 </div>
@@ -137,7 +138,7 @@ <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">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/controlworker.html b/docs/controlworker.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>Controlling the directory and Worker of execution &#8212; FireWorks 1.9.2 documentation</title>
+    <title>Controlling the directory and Worker of execution &#8212; FireWorks 1.9.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -36,7 +36,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="dataflow_tasks.html" title="Using the dataflow Firetasks"
              accesskey="P">previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="dataflow_tasks.html" title="Using the dataflow Firetasks"
              >previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/dataflow_tasks.html b/docs/dataflow_tasks.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>Using the dataflow Firetasks &#8212; FireWorks 1.9.2 documentation</title>
+    <title>Using the dataflow Firetasks &#8212; FireWorks 1.9.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -36,7 +36,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="filepad_tasks.html" title="Using the built-in FilePad Tasks"
              accesskey="P">previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -394,7 +394,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="filepad_tasks.html" title="Using the built-in FilePad Tasks"
              >previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/defuse_tutorial.html b/docs/defuse_tutorial.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>Canceling (pausing), restarting, and deleting Workflows &#8212; FireWorks 1.9.2 documentation</title>
+    <title>Canceling (pausing), restarting, and deleting Workflows &#8212; FireWorks 1.9.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -36,7 +36,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="priority_tutorial.html" title="Assigning job priority"
              accesskey="P">previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -192,7 +192,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="priority_tutorial.html" title="Assigning job priority"
              >previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/design_tips.html b/docs/design_tips.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>Tips for designing Firetasks, FireWorks, and Workflows &#8212; FireWorks 1.9.2 documentation</title>
+    <title>Tips for designing Firetasks, FireWorks, and Workflows &#8212; FireWorks 1.9.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -36,7 +36,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="dynamic_wf_tutorial.html" title="Dynamic Workflows"
              accesskey="P">previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -201,7 +201,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="dynamic_wf_tutorial.html" title="Dynamic Workflows"
              >previous</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">FireWorks 1.9.3 documentation</a> &#187;</li> 
       </ul>
     </div>