Re: [Rdkit-devel] Install RDKit
Open-Source Cheminformatics and Machine Learning
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From: Riccardo V. <ric...@gm...> - 2015-01-30 11:44:59
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Hi Soren, until recently, boost packages were not provided by the anaconda distribution, and this is basically the reason we provide recipes to build boost too. When a few weeks ago boost packages targeting version 1.57.0 have been added to the conda default channels (for linux and windows at least, I couldn't find any boost package in the osx repository last time I checked), they caused some confusion because the rdkit recipe doesn't specify a version for the boost package, and version 1.57.0 is by default installed because it's more recent than the version we build locally. When executed, the boost recipe from the rdkit github repository should have built boost 1.56.0 (you could probably find the package in the local channel at ./Programme/anaconda/conda-bld/linux-64), but the rdkit build probably used boost version 1.57.0 (based on the info from your last message it most likely did so when testing the rdkit package and in istalling it into envs/rdkit-env). I tried building the rdkit with the boost package provided by anaconda in a couple of linux environments and it worked ok for me, so in principle I think it could work for you too. But I have no explanation for the reference to boost 1.54.0. Is there any boost package matching that version and installed as part of the system linux distribution? Best, Riccardo On Fri, Jan 30, 2015 at 12:09 AM, Soren Wacker <sw...@uc...> wrote: > I tried that. I was able to compile rdkit, apparently just by typing > > conda build boost > conda build rdkit > > but, when I use that build I get > > from rdkit import rdBase > > > ImportError: libboost_python.so.1.54.0: cannot open shared object file: > No such file or directory > > strange thing is, that anaconda build 1.57 version... 1.54 does not exist > on my system. > > ./Programme/anaconda/envs/rdkit-env/lib/libboost_python.so > ./Programme/anaconda/envs/rdkit-env/lib/libboost_python.so.1.57.0 > ./Programme/anaconda/envs/_test/lib/libboost_python.so > ./Programme/anaconda/envs/_test/lib/libboost_python.so.1.57.0 > ./Programme/anaconda/pkgs/boost-1.57.0-0/lib/libboost_python.so > ./Programme/anaconda/pkgs/boost-1.57.0-0/lib/libboost_python.so.1.57.0 > > kind regards > Soren > > ------------------------------------------------------------------------------ > Dive into the World of Parallel Programming. The Go Parallel Website, > sponsored by Intel and developed in partnership with Slashdot Media, is > your > hub for all things parallel software development, from weekly thought > leadership blogs to news, videos, case studies, tutorials and more. Take a > look and join the conversation now. http://goparallel.sourceforge.net/ > _______________________________________________ > Rdkit-devel mailing list > Rdk...@li... > https://lists.sourceforge.net/lists/listinfo/rdkit-devel > |