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rdkit / conda-rdkit

Conda build recipe for the rdkit
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update to Release_2016_03_4 #25

Closed rvianello closed 8 years ago

rvianello commented 8 years ago

updates the rdkit and rdkit-postgres* recipes to build the current patch release.

rvianello commented 8 years ago

Thank you, I uploaded some up-to-date linux packages to the anaconda channel.

greglandrum commented 8 years ago

Thanks Riccardo. I'll try to get a Mac package up soon too

greglandrum commented 8 years ago

@rvianello : the linux builds were done without cairo support. Was this intentional or an oversight?

rvianello commented 8 years ago

this is unexpected, the changes in the rdkit recipe are limited to the git tag. I'll look into this.

greglandrum commented 8 years ago

I probably have confused myself. It may be that the linux builds never included cairo support for the C++ rendering code Since we're including cairocffi as a build dependency (should also be a run dependency?), it seems like we assume that cairo will be on the system. If that's the case, couldn't we safely add -D RDK_BUILD_CAIRO_SUPPORT=ON to the build arguments?

rvianello commented 8 years ago

cairo/cairocffi were not included as runtime dependencies just to avoid the mandatory installation of the graphics stack when not used, but on linux I think cairo may be safely assumed to be available, and yes, I agree it should be possible to add the RDK_BUILD_CAIRO_SUPPORT settings to the cmake command line. I will test this on a branch and then create a PR.