Hi Maciek, the actual problem here is that some older rdkit packages predate the availability of boost from anaconda, and rdkit 2014.09 doesn't specify its dependency from a specific version of boost.This worked until an incompatible boost 1.57 has been added to the anaconda distribution, so rdkit 2015.03 has been packaged with an explicit dependency from boost=1.56
when 'conda install -c rdkit rdkit' is issued, no version constraints are specified, neither for boost, nor for rdkit. In planning the installation conda apparently selects the most up-to-date boost package from its own channels and then picks the "compatible" rdkit 2014.09 package. an alternate workaround may consist in specifying the version for the boost package, so that the one from the anaconda channels is ignored (conda install -c rdkit boost=1.56), but solving the problem I think will require updating the metadata in the older packages, so that they are no longer accidentally selected. Thanks for the report, I will try to have this fixed during the next few days. Best, Riccardo On Wed, Nov 18, 2015 at 10:47 AM, Maciek Wójcikowski <[email protected]> wrote: > Hi, > > I've noticed a bug in conda packages, when you're doing a clean install > ["conda install -c https://conda.anaconda.org/rdkit rdkit"] the old > version 2014.09 is install by default. > > To force installation of 2015.03 you have to specify it's version: > conda install -c https://conda.anaconda.org/rdkit rdkit=2015 > > Here comes the probable bug cause: the 2015.03 package requires *older* > version of boost (as I recall 1.56), where 2014.09 version requires newer > version: 1.57. During the update boost is downgraded. > > Code to reproduce the bug: > conda create -n test_rdkit python > source activate test_rdkit > conda install -c rdkit rdkit > conda install -c rdkit rdkit=2015 > > I hope we manage to get it fixed for 2015.09 :) > > ---- > Pozdrawiam, | Best regards, > Maciek Wójcikowski > [email protected] > > > ------------------------------------------------------------------------------ > > _______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > >
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