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Rename arkane.py script to Arkane.py to avoid conflict with arkane module
Update documentation and setup.py accordingly Also add an Arkane test to conda recipe
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.conda/meta.yaml

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

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

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

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