Hi Joey, maybe the Dockerfile of my Chembience project helps:
https://github.com/chembience/chembience/blob/master/context/build/rdkit/Dockerfile The chembience/python-base image it starts from actually doesn't do much except providing a very basic setup, its Dockerfile is here: https://github.com/chembience/chembience/blob/master/context/build/base/Dockerfile So it should be replaceable with the rapidsai/rapidsai:0.12-cuda10.1-runtime-ubuntu18.04 image you want to start of. Markus On Wed, Jun 3, 2020 at 10:43 PM Storer, Joey (J) <jwsto...@dow.com> wrote: > Hi, > > > > I am trying to run the following Docker file and the container fails to > install rdkit. Other incarnations install either the 2019 version or even > the 2017 version. > > > > *#* > > *FROM rapidsai/rapidsai:0.12-cuda10.1-runtime-ubuntu18.04* > > > > *ARG ENVNAME=rapids* > > *ENV ENVNAME=$ENVNAME* > > > > *RUN source activate $ENVNAME && \* > > * conda install boost>='1.72.0,<1.72.1.0a0' cairo>='1.16.0,<1.17.0a0' > freetype>='2.9.1,<3.0a0' libgcc-ng>='7.3.0' libstdcxx-ng>='7.3.0' > numpy>='1.14.6,<2.0a0' pandas pillow pycairo python>='3.7,<3.8.0a0' > python_abi='3.7.* *_cp37m' six* > > > > *RUN source activate $ENVNAME && \* > > * conda install "rdkit=2020.03.2=py37hdd87690_0"* > > > > *#* > > > > Any advice on getting RDKit into a Rapids/Ubuntu Docker container? > > > > Thanks! > > Joey Storer (Dow, Inc.) > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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