Re: [Rdkit-discuss] Jupyter Could not find environment: my-rdkit-env

2017-06-29 Thread Germano Massullo 
Il 29/06/2017 16:02, Greg Landrum ha scritto:
> Hi,
>
> This (or something like it) happens to me all the time: you need to
> install Jupyter in the new environment too.
>
> The only reason what you are currently doing even halfway works is
> because you have Jupyter installed in the default conda environment
> and that is being used when you launch the notebook from the shell
>

Thank you very much, it worked! I attach the complete commands list, so
that it could help any other users

Install Anaconda
then following [1] run

$ conda create -c rdkit -n my-rdkit-env rdkit
$ source activate my-rdkit-env
(missing line) $ conda install jupyter
then

$ jupyter-notebook --ip foo_ip --port 8890

then from jupyter notebook

from rdkit import Chem
from rdkit.Chem import AllChem
from rdkit.Chem import Descriptors


[1]: http://www.rdkit.org/docs/Install.html




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Re: [Rdkit-discuss] Jupyter Could not find environment: my-rdkit-env

2017-06-29 Thread Michal Krompiec 
Hi Germano,
You can also install rdkit in the default environment:
conda install -c rdkit rdkit

Best,
Michal


On 29 June 2017 at 14:22, Germano Massullo 
wrote:

> Hi there, I am experiencing some troubles in letting jupyter use rdkit
> on Fedora 25
> I installed Anaconda 4.4.0
> then following [1] I runned
>
> $ conda create -c rdkit -n my-rdkit-env rdkit
> $ source activate my-rdkit-env
>
> then
>
> $ jupyter-notebook --ip foo_ip --port 8890
>
> then from jupyter notebook
>
> from rdkit import Chem
> from rdkit.Chem import AllChem
> from rdkit.Chem import Descriptors
>
> but those imports return
> 
> CondaEnvironmentNotFoundError: Could not find environment: my-rdkit-env .
> You can list all discoverable environments with ``.
> 
>
> running
> conda info --envs
> I get
> # conda environments:
> #
> my-rdkit-env  *  /home/user/.conda/envs/my-rdkit-env
> root /opt/anaconda3
>
>
> Thank you very much
>
> [1]: http://www.rdkit.org/docs/Install.html
>
>
>
>
> 
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Re: [Rdkit-discuss] Jupyter Could not find environment: my-rdkit-env

2017-06-29 Thread Greg Landrum 
Hi,

This (or something like it) happens to me all the time: you need to install 
Jupyter in the new environment too.

The only reason what you are currently doing even halfway works is because you 
have Jupyter installed in the default conda environment and that is being used 
when you launch the notebook from the shell


From: Germano Massullo <germano.massu...@gmail.com>
Sent: Thursday, June 29, 2017 3:22:04 PM
To: rdkit-discuss@lists.sourceforge.net
Subject: [Rdkit-discuss] Jupyter Could not find environment: my-rdkit-env

Hi there, I am experiencing some troubles in letting jupyter use rdkit
on Fedora 25
I installed Anaconda 4.4.0
then following [1] I runned

$ conda create -c rdkit -n my-rdkit-env rdkit
$ source activate my-rdkit-env

then

$ jupyter-notebook --ip foo_ip --port 8890

then from jupyter notebook

from rdkit import Chem
from rdkit.Chem import AllChem
from rdkit.Chem import Descriptors

but those imports return

CondaEnvironmentNotFoundError: Could not find environment: my-rdkit-env .
You can list all discoverable environments with ``.


running
conda info --envs
I get
# conda environments:
#
my-rdkit-env  *  /home/user/.conda/envs/my-rdkit-env
root /opt/anaconda3


Thank you very much

[1]: http://www.rdkit.org/docs/Install.html




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[Rdkit-discuss] Jupyter Could not find environment: my-rdkit-env

2017-06-29 Thread Germano Massullo 
Hi there, I am experiencing some troubles in letting jupyter use rdkit
on Fedora 25
I installed Anaconda 4.4.0
then following [1] I runned

$ conda create -c rdkit -n my-rdkit-env rdkit
$ source activate my-rdkit-env

then

$ jupyter-notebook --ip foo_ip --port 8890

then from jupyter notebook

from rdkit import Chem
from rdkit.Chem import AllChem
from rdkit.Chem import Descriptors

but those imports return

CondaEnvironmentNotFoundError: Could not find environment: my-rdkit-env .
You can list all discoverable environments with ``.


running
conda info --envs
I get
# conda environments:
#
my-rdkit-env  *  /home/user/.conda/envs/my-rdkit-env
root /opt/anaconda3


Thank you very much

[1]: http://www.rdkit.org/docs/Install.html




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