Hi Leon, On Tue, Jul 21, 2020 at 6:43 PM topgunhaides <sunzhi....@gmail.com> wrote:
> > Working on transferring my entire RDKit Python code to C++. Before testing > new code, I need to make it working with C++... > > Not experienced with it, so I got a couple of questions about the > installation: > 1. My Conda RDKit works well with Python on Linux. Do I have to install a > new "C++ version" of RDKit? If not, how can I link it to the current Conda > RDKit? > You need to build the RDKit from scratch yourself. We haven't done an RDKit conda package that's useable for development (though we could... it's worth thinking about) > 2. If I need to reinstall it for C++ purpose, do I have to build it from > source? I have my cmake and gcc up-to-date on linux. > yes, you need to install from source, there's some info about how to do this in the documentation that will hopefully be helpful. Note that if you have a conda environment available, you can get all the prerequisites you need (like boost, cairo, eigen) from conda. > 3. I can try the Windows Installation using RDKit binaries, but same > question here: does it work fully with C++? > For windows you will also need to build yourself. -greg > > Can anyone offer some help? Thanks a lot! > > Best, > Leon > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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