Rename arkane.py script to Arkane.py to avoid conflict with arkane mo…

…dule

Update documentation and setup.py accordingly
Also add an Arkane test to conda recipe

.conda/meta.yaml

@@ -73,11 +73,15 @@ requirements:
 test:
   source_files:
     - 'examples/rmg/superminimal'
+    - 'examples/arkane/networks/n-butanol'
   imports:
     - rmgpy
+    - arkane
   commands:
     - rmg.py examples/rmg/superminimal/input.py # [unix]
+    - Arkane.py examples/arkane/networks/n-butanol/input.py # [unix]
     - python %SCRIPTS%\rmg.py examples\rmg\superminimal\input.py # [win]
+    - python %SCRIPTS\Arkane.py examples\arkane\networks\n-butanol\input.py # [win]
 
 about:
   home: http://github.com/ReactionMechanismGenerator/RMG-Py

documentation/source/users/arkane/running.rst

@@ -4,15 +4,15 @@ Running Arkane
 
 To execute an Arkane job, invoke the command ::
 
-    $ python arkane.py INPUTFILE
+    $ python Arkane.py INPUTFILE
 
-The absolute or relative paths to the arkane.py file as well as to the input file must be given.
+The absolute or relative paths to the Arkane.py file as well as to the input file must be given.
 
 The job will run and the results will be saved to ``output.py`` in the same
 directory as the input file. If you wish to save the output elsewhere, use
 the ``-o``/``--output`` option, e.g. ::
 
-    $ python arkane.py INPUTFILE -o OUTPUTFILE
+    $ python Arkane.py INPUTFILE -o OUTPUTFILE
 
 Drawing Potential Energy Surface
 ================================
@@ -36,5 +36,5 @@ Help
 To view help information and all available options, use the ``-h``/``--help`` 
 flag, e.g. ::
 
-    $ python arkane.py -h
+    $ python Arkane.py -h
 

setup.py

@@ -189,7 +189,7 @@ def getArkaneExtensionModules():
             if os.path.splitext(source)[1] == '.pyx':
                 ext_modules.append(module)
 
-scripts=['arkane.py',
+scripts=['Arkane.py',
          'rmg.py',
          'scripts/checkModels.py',
          'scripts/convertFAME.py',