propka/pdb2pqr

Jack Howarth howarth.at.macports at gmail.com
Tue Jun 4 13:43:19 UTC 2024


I am lost at sea about how to handle the newer pdb2pqr packaging. The
ancient 2.1.1 pdb2pqr sources built a c-based propka as part of the pdb2pqr
process. Upstream replaced this with propka entirely rewritten in python
and as its own project. I believe the buildbot failures that I am seeing
are due to propka trying to overwrite the propka binary in /opt/local/bin
on installation before the newer propka-free pdb2pqr package is installed.
We don't seem to have the granularity in MacPorts to handle this cleanly
short of creating a whole new pdb2pqr package under a new name (which is
throwing a major wrench in using github.setup). Is there some way to handle
movement of binaries across existing packages without having to recreate
the wheel with a new package set?
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