Closed pstjohn closed 2 years ago
Hi! This is the friendly automated conda-forge-linting service.
I just wanted to let you know that I linted all conda-recipes in your PR (recipe
) and found it was in an excellent condition.
Looks like it works, but we're running into CI build time limits. Not sure why, would FreeSASA add ~2 hours to the build time? I suppose we split it off into a separate conda recipe and add it as a dependency? https://github.com/intbio/freesasa-conda/tree/master/freesasa
ppc64le
builds are emulated so they run like 6x slower. We could think of cross-compiling those, but anyway rdkit
is 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.
Superceded by #80
Edits for #20
Checklist
0
(if the version changed)conda-smithy
(Use the phrase code>@<space/conda-forge-admin, please rerender in a comment in this PR for automated rerendering)