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chembl / mychembl

Resources used to create the myChEMBL virtual machine
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Use conda #27

Closed mnowotka closed 8 years ago

mnowotka commented 9 years ago

We should at least try to use conda for one release in order to evaluate it. This can potentially make installing rdkit lot easier.

But there is one more thing - there will be point in the future when we decide to use Python 3 by default. On the other hand it could be difficult to convert all our software to Python 3 in one go. So at least one future myChEMBL release will have to have two different python versions installed. This is the case where conda can be very helpful.

madgpap commented 9 years ago

although conda is free to use, we should check their license for the right to distribute.

mnowotka commented 9 years ago

It's free to distribute: https://github.com/conda/conda/blob/master/LICENSE.txt

madgpap commented 8 years ago

miniconda

madgpap commented 8 years ago 
curl -o miniconda.sh http://repo.continuum.io/miniconda/Miniconda-latest-Linux-x86_64.sh
bash miniconda.sh
conda create -n rd27 python=2.7
source activate rd27
conda install ipython ipython-notebook pillow pandas
conda install -c https://conda.anaconda.org/rdkit rdkit