Hi Theo, Most of this is coming in because of the dependencies. The giant MKL DLLs are a feature provided by the anaconda python installs. These can make numpy much faster, but don't help if you want a small executable. One non-windows systems you can opt out by doing "conda install nomkl" before installing numpy. This will bring in a version of numpy that doesn't depend on mkl and should be considerably smaller. Unfortunately this doesn't work on Windows (Anaconda doesn't do nomkl builds for windows).
As far as the drawing bits: those use the cairo library to generate PNGs. Cairo also has some heavyweight dependencies that it brings along and you're seeing those. Unfortunately, I think you're stuck with the large installers... -greg On Wed, Mar 11, 2020 at 8:43 AM theozh <the...@gmx.net> wrote: > Dear RDKit specialists, > > RDKit is a cool tool, so far I guess I only got a glimpse of what it > actucally can do. > I would like to create executables (Win10, Python3.6, Anaconda3, > PyInstaller3.5). > > If I'm importing it via: > > import rdkit import Chem > > the executable files sizes are in the order of 60 MB. Well, ok. > However, if I additionally import the drawing kit via: > > from rdkit.Chem import Draw > > then, the exectuables files sizes are in the order of 280 MB or more. > Of course, you can say this is a PyInstaller "problem". > If you search the web, you will find suggestions for reducing the file > size when using PyInstaller. > However, I couldn't figure it out together with RDKit. > Apparently, several huge DLLs (mkl_xxxxxx.dll) are included and I don't > know whether they are really needed and how to remove. > > My question: > How can I reduce the files size when creating executables from RDKit? > Thank you for suggestions or links. > Theo. > > > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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