Small tweaks to be able to install and use as a library. #5
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We want to be able to parse pseudo-arguments from the web interface into the 'Run' object.
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The first commit makes this module installable via "pip install ." after cloning, targeting the publishing in pypi. Basically, it credits the author, classifies the package and install requirements (in this case, numpy).
The second commit allows to parse a list of strings like
["--lig_1", "sample1", "--lig_2", "sample2", "--forcefield", "OPLS2005", "--system", "water"]into aNamespacethat can be used to launch theRun, reusing the parser that already existed.