specify networkx to use version 2.1.0 in setup.py

mordred-descriptor / mordred

a molecular descriptor calculator

http://mordred-descriptor.github.io/documentation/master/

BSD 3-Clause "New" or "Revised" License

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specify networkx to use version 2.1.0 in setup.py #88

Open ademidun opened 4 years ago

ademidun commented 4 years ago

mordred installs the newest version of networkx(2.4.0, as for today). But biconnected_component_subgraphs is already depracated in networkx (>2.1.0). closes #84

Issue #

mkrompiec commented 3 years ago

This is not necessary, see my pull request #90

Kael-the-Mad commented 3 years ago

Beware! The issue reported by @ademidun still exists. The influence is implicit, thus easily ignored. Calculation of detour matrix-based descriptors including "VR2_Dt", etc. (ca. 10~20 descriptors) will fail. The error info is just as "networkx has no attribute ... biconnected_component_subgraphs".

JacksonBurns commented 11 months ago

If anyone comes across this, I have resolved it on mordredcommunity which is a community-maintained fork of this repo.