conda-forge / rdkit-feedstock

A conda-smithy repository for rdkit.
BSD 3-Clause "New" or "Revised" License
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Future improvements #164

Open skearnes opened 3 months ago

skearnes commented 3 months ago
          > So maybe we should keep those deps in librdkit since they're still technically part of the C++ part that enables the python bindings in the rdkit package

The only problem is that they link to Python stuff, so I think they would better belong in rdkit because you only want them for Python usage, does that make sense? Not a blocker for now, but something to add to the list of improvements in the split (along with those header files we mentioned a few comments above). Feel free to merge whenever.

Originally posted by @jaimergp in https://github.com/conda-forge/rdkit-feedstock/issues/158#issuecomment-2243071415

skearnes commented 3 months ago

For the python stuff, I think we might need to rearrange the top-level build so we can build the python bindings as part of the rdkit package build instead?

jaimergp commented 3 months ago

From the same thread, I'd also highlight the need to improve:

skearnes commented 2 months ago

From the same thread, I'd also highlight the need to improve:

dylib fixed in #166