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 (<greg.land...@gmail.com>) 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 > <andressanchezrui...@gmail.com> 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 >> (<greg.land...@gmail.com>) 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 >> > <andressanchezrui...@gmail.com> 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 >> >> (<greg.land...@gmail.com>) 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 >> >> > <andressanchezrui...@gmail.com> 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 >> >> >> Rdkit-discuss@lists.sourceforge.net >> >> >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
