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

[Andrius Merkys]

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.*.

Best,
Andrius