[Debichem-devel] Bug#1094717: Bug#1094717: rdkit: FTBFS with numpy 2.x

[Adrian Bunk]

Control: reassign -1 python3-pybind11 2.13.6-1
Control: retitle -1 python3-pybind11 needs a source upload for NumPy 2
Control: affects -1 src:rdkit

On Thu, Jan 30, 2025 at 02:05:41PM +0200, Andrius Merkys wrote:
> On 2025-01-30 13:37, Bas Couwenberg wrote:
> > Dear Maintainer,
> > 
> > Your package FTBFS during the numpy2 transition:
> > 
> >   https://buildd.debian.org/status/fetch.php?pkg=rdkit&arch=amd64&ver=202409.4-1%2Bb1&stamp=1738065005&raw=0
> 
> It is interesting to see the following error in the build logs:
> 
>  A module that was compiled using NumPy 1.x cannot be run in
>  NumPy 2.2.2 as it may crash. To support both 1.x and 2.x
>  versions of NumPy, modules must be compiled with NumPy 2.0.
>  Some module may need to rebuild instead e.g. with 'pybind11>=2.12'.
> 
>  If you are a user of the module, the easiest solution will be to
>  downgrade to 'numpy<2' or try to upgrade the affected module.
>  We expect that some modules will need time to support NumPy 2.
> 
> Without a deeper look, it looks as if either rdkit builds for NumPy 1.*
> (doubtful, as NumPy 2.* is used), or any of the dependencies are not rebuilt
> for NumPy 2.*.

The error message already says pybind11, reassigning there.

> Best,
> Andrius

cu
Adrian