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@wesbarnett - can you clarify? Doesn't setup.py just check if the requirements are present?
What I had in mind here was in connection with making it conda-installable (#6 ). Particularly, many packages have information on what other packages are required so that if you, say, "conda install alchemical-analysis" it would also install anything alchemical-analysis requires.
I don't know anything about conda, but I know that if the install method uses setup.py (like pip) it will automatically pull the dependencies via pip. So when I install it on my system using "sudo python setup.py install", it pulls in pymbar. If the minimum version of pymbar is not satisfied with that method it throws an exception (currently the pip-installable pymbar is behind what you require, so it does throw an exception; before that change it did pull in pymbar successfully). Since pymbar is behind on pip, I can still install it via "sudo python setup.py install" and then run your setup.py successfully to get around the issue.
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