gmx2qmmm / gmx2qmmm_portable

A python script to perform QM/MM calculation.
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pip installable files #10

Open Mnlohani opened 3 years ago

Mnlohani commented 3 years ago

It contains new files/changes for making pip installable distribution. setup.py updation as per the python static method for distribution file [setup.cfg (static)] These file data needs to be checked and with that we can make a distribution file and upload in TestPyPI server. Please refer. Please validate the data for setup.cfg file. https://packaging.python.org/tutorials/packaging-projects/