Adding installation as a python package

[vvoelz]

Right now the code is not an installable package. Functionality needs to be added to install through pip or conda. @robraddi -- perhaps you could help with this?

[robraddi]

@vvoelz, if you’d like pylambdaopt to be an installable package, we might want to rename/move stuff around. I’m assuming the goal is for this package to function as a set of command-line tools, with the commands pointing to the main “scripts” directory where the Python code lives.

In the meantime, we should add a section to the README that explains how users can integrate the repo into their .bashrc file, enabling them to call these scripts directly from the command line.

[vvoelz]

There's two things I guess:

1. Enabling scripts like scripts/optimize_FEP_lambdas.py to be called on the command-line. Example: $ optimize_FEP_lambdas.py [arguments]
2. Enabling the main classes to be imported as a module so that people can use it in their code. Something like this:

import pylambdaopt as plo

# Instantiate an Optimizer() class and do some stuff
o = plo.Optimer()
o.do_some_stuff()

# Instantiate an MixingTime() class and do some stuff
m = plo.MixingTime()
m.do_some_other_stuff()