[Debichem-devel] Bug#1149310: Bug#1149310: votca: consider dropping build-dependency on librdkit-dev

[Nicholas Breen]

On Tue, Sep 29, 2026, at 4:05 AM, Andrius Merkys wrote:
> In preparation to address #1138824, I am looking into source packages 
> declaring build-dependency on librdkit-dev. votca does not link against 
> librdkit1, neither it directly uses anything from librdkit-dev. It uses 
> rdkit's Python bindings, python3-rdkit, which depend on librdkit-dev.
> 
> I attempted building votca without neither of the binary packages from 
> src:rdkit, and build succeeded, with sole difference being the absence 
> of /usr/bin/xtp_autogen_mapping Python script and its documentation. 
> This led me to a conclusion that only rdkit's Python bindings are used 
> by votca.

Makes sense.  If my memory serves correctly, the librdkit-dev dependency was
needed in earlier versions for a CMake config check that didn't pick up the
Python bindings otherwise.  Looks like that's no longer the case, so I'll drop
the B-D in the next upload.



- Nicholas