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

[Christos K. <chr...@gm...>]

Hi Andres,

Maybe Spyder runs on the base conda environment.
Do you run Spyder from your activated environment?

Kind regards,

Christos

On Wed, Apr 14, 2021, 17:52 Andrés Sánchez Ruiz <
and...@gm...> wrote:

> Dear Greg,
>
> It works! It seems I can call functions of RDKit from this console,
> however, when I start spyder and try to run them I still get the
> error. Could it be something related to the spyder interpreter?
>
> Best regards,
>
> Andrés
>
> El mié, 14 abr 2021 a las 17:38, Greg Landrum
> (<gre...@gm...>) escribió:
> >
> > That looks good so far.
> > So what happens in that exact same shell if you then start ipython
> > and do "import rdkit"?
> >
> > -greg
> >
> >
> > On Wed, Apr 14, 2021 at 5:33 PM Andrés Sánchez Ruiz <
> and...@gm...> wrote:
> >>
> >> 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
>
>
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