Hi there, I am having a problem with rdkit in Anaconda3/Jupyter
environment. This is the complete procedure I followed to install the
packages on a Fedora 26 installation.
I downloaded Anaconda3-5.0.1-Linux-x86_64.sh
so I runned
# sh Anaconda3-5.0.1-Linux-x86_64.sh
I installed it into /opt/anaconda3
# chmod -R 777 /opt/anaconda3
then as user
$ conda create -c rdkit -n my-rdkit-env rdkit
$ jupyter-notebook --ip foo_ip --port foo_port
then in the notebook
=========
import rdkit
from rdkit import Chem
from rdkit.Chem import Draw
from rdkit.Chem.Draw import SimilarityMaps
=========
and I get the error
=========
ModuleNotFoundError Traceback (most recent call last)
<ipython-input-2-4537b9d3a7ad> in <module>()
----> 1 from rdkit import Chem
2 from rdkit.Chem import Draw
3 from rdkit.Chem.Draw import SimilarityMaps
ModuleNotFoundError: No module named 'rdkit'
=========
$ conda info:
Current conda install:
platform : linux-64
conda version : 4.3.30
conda is private : False
conda-env version : 4.3.30
conda-build version : 3.0.27
python version : 3.6.3.final.0
requests version : 2.18.4
root environment : /opt/anaconda3 (writable)
default environment : /opt/anaconda3
envs directories : /opt/anaconda3/envs
/home/user/.conda/envs
package cache : /opt/anaconda3/pkgs
/home/user/.conda/pkgs
channel URLs : https://repo.continuum.io/pkgs/main/linux-64
https://repo.continuum.io/pkgs/main/noarch
https://repo.continuum.io/pkgs/free/linux-64
https://repo.continuum.io/pkgs/free/noarch
https://repo.continuum.io/pkgs/r/linux-64
https://repo.continuum.io/pkgs/r/noarch
https://repo.continuum.io/pkgs/pro/linux-64
https://repo.continuum.io/pkgs/pro/noarch
config file : None
netrc file : None
offline mode : False
user-agent : conda/4.3.30 requests/2.18.4 CPython/3.6.3
Linux/4.13.5-200.fc26.x86_64 Fedora/26 glibc/2.25
UID:GID : 1001:1001
$ conda list —show-channel-urls:
# packages in environment at /opt/anaconda3:
#
What can I do?
Thank you very much
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