Re: [Rdkit-discuss] ModuleNotFoundError: No module named 'rdkit'

[Andrés S. R. <and...@gm...>]

Dear Greg,

After activating my enviroment (foodpains) I wrote the command "
ipython -c 'import IPython;import
rdkit;print(IPython.__file__,rdkit.__file__)' ". Right after getting
the output I wrote: " where ipython ". This is what I get:

(foodpains) C:\Users\Andres Sanchez>ipython -c "import IPython;import
rdkit;print(IPython.__file__,rdkit.__file__)"
C:\Anaconda\envs\foodpains\lib\site-packages\IPython\__init__.py
C:\Anaconda\envs\foodpains\lib\site-packages\rdkit\__init__.py

(foodpains) C:\Users\Andres Sanchez>where ipython
C:\Anaconda\envs\foodpains\Scripts\ipython.exe
C:\Anaconda\Scripts\ipython.exe

Best regards,

Andrés

El mié, 14 abr 2021 a las 17:06, Greg Landrum
(<gre...@gm...>) escribió:
>
> That looks good. Please send the output of:
> ipython -c 'import IPython;import rdkit;print(IPython.__file__,rdkit.__file__)'
>
> and we also need to figure out exactly which version of ipython you are running.
>
> If you are running these commands in the command shell, that's
> where ipython
>
> in powershell:
> gcm ipython
>
> if you're using a bash shell:
> which ipython
>
> Please run the ipython -c and which/where/gcm command directly after each other and paste in both the command you executed and its output.
>
> -greg
>
>
>
>
> On Wed, Apr 14, 2021 at 4:46 PM Andrés Sánchez Ruiz <and...@gm...> wrote:
>>
>> Dear Greg,
>>
>> This is what I see after activating my enviroment (foodpains) and
>> introducing your command:
>>
>> C:\Anaconda\envs\foodpains\lib\site-packages\IPython\__init__.py
>> C:\Anaconda\envs\foodpains\lib\site-packages\rdkit\__init__.py
>>
>> Best regards,
>>
>> Andrés
>>
>> El mié, 14 abr 2021 a las 15:42, Greg Landrum
>> (<gre...@gm...>) escribió:
>> >
>> > What do you see when you execute this quick test to ensure that ipython and the rdkit are both really installed?
>> >
>> > python -c 'import IPython;import rdkit;print(IPython.__file__,rdkit.__file__)'
>> >
>> > -greg
>> >
>> > On Wed, Apr 14, 2021 at 2:58 PM Andrés Sánchez Ruiz <and...@gm...> wrote:
>> >>
>> >> Hello,
>> >>
>> >> I have not been able to solve the issue yet after installing ipython
>> >> in the same enviroment in which I have RDKIT.
>> >>
>> >> ipython                   7.22.0           py39hd4e2768_0
>> >> ipython_genutils          0.2.0              pyhd3eb1b0_1
>> >> .
>> >> .
>> >> .
>> >> rdkit                     2021.03.1        py39hfadf033_0    conda-forge
>> >>
>> >> From this enviroment I can call pandas (for example) but not RDKIT.
>> >> What is still not working?
>> >>
>> >> Best regards,
>> >>
>> >> Andrés
>> >>
>> >>
>> >> _______________________________________________
>> >> Rdkit-discuss mailing list
>> >> Rdk...@li...
>> >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss