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) 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.)
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