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peteboyd / lammps_interface

automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
MIT License
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Issue with the networkx newer than 2.3 #24

Closed ezpzbz closed 4 years ago

ezpzbz commented 4 years ago

Hi, I just realized the lammps_interface is not working with networkx version 2.40 which has been installed as the latest version. I had to downgrade to version 2.30 for having the code working. I still did not fully investigate the source of issue but I think it would be related to the removal of depreciated functions in the latest version: https://networkx.github.io/documentation/stable/release/release_2.4.html

Thus, I think a quick fix for now would be putting a limitation on the version of networkx. My best, Pezhman

peteboyd commented 4 years ago

Hi Pezhman, Many thanks for this! I will try to have it work with newer versions of networkx ASAP. Best, Pete

ltalirz commented 4 years ago

@peteboyd up to you - otherwise, it's also very easy to make a 1.1.2 release that simply has networkx<2.4 dependency.

peteboyd commented 4 years ago

Fixed with commit 371d5d93110b349d51b5d7bfb7ef2bcc89752b7b