propka/pdb2pqr

[Jack Howarth]

My current attempt for these pdb2pqr and propka updates with a mmcif-pdbx
support package is here...

https://github.com/macports/macports-ports/pull/24312

The ability to move files across packages seems very fragile under MacPorts
suggesting that I might have to drop back to adding propka-select and
pdb2pqr-select packages to do this for this purpose. Adding a depends_lib
for pdb2pqr to propka doesn't seem to get the new propka-less pdb2pqr
installed before the new separate propka package. I am wondering if these
failures are real or if I am seeing an artifact of the buildbot not
populating all three new commits simultaneously.

On Tue, Jun 4, 2024 at 9:43 AM Jack Howarth <howarth.at.macports at gmail.com>
wrote:

> 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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