jaimergp
commented
2 years ago - https://github.com/conda-forge/staged-recipes/pull/16655
- https://github.com/conda-forge/rdkit-feedstock/pull/85
I'll be working on this on my free time. Refer to PRs above for progress. If anybody wants to help, let me know!
ppc64lebuilds are emulated so they run like 6x slower. We could think of cross-compiling those, but anywayrdkitis vendoring a few dependencies according to the logs, so we should probably provide those as separate packages to depend on, as recommended.These packages would need to be provided separately:
catch(https://github.com/catchorg/Catch2/archive/v2.12.4.tar.gz)InChI(https://www.inchi-trust.org/download/105/INCHI-1-SRC.zip)avalontoolkit(https://sourceforge.net/projects/avalontoolkit/files/AvalonToolkit_1.2/AvalonToolkit_1.2.0.source.tar)freesasa(https://github.com/mittinatten/freesasa/releases/download/2.0.3/freesasa-2.0.3.tar.gz)maeparser(https://github.com/schrodinger/maeparser/archive/v1.2.4.tar.gz)coordgen(https://github.com/schrodinger/coordgenlibs/archive/v2.0.3.tar.gz)RingDecomposerLib(https://github.com/rareylab/RingDecomposerLib/archive/v1.1.3_rdkit.tar.gz)Also,
rapidjson(https://github.com/Tencent/rapidjson/archive/v1.1.0.tar.gz) is being vendored but there's a package on CF already. We should use that. I'd recommend closing this and fixing the above issues before. Once these dependencies are provided, new RDKit builds need to be generated.Originally posted by @jaimergp in https://github.com/conda-forge/rdkit-feedstock/issues/79#issuecomment-946587538