Re: [Rdkit-discuss] ModuleNotFoundError: No module named 'rdkit'
Ok, you aren't having problems with the RDKit install or with the RDKit and IPython; you are having problems with spyder + Ipython + the RDKit It would have been very, very helpful if you had mentioned that at the beginning so that I could have avoided wasting our time trying to diagnose rdkit + ipython problems. I don't use spyder, but the things I told you to look at while trying to diagnose the rdkit+ipython problems may help you here. I won't be able to help any more. -greg On Wed, Apr 14, 2021 at 6:25 PM Andrés Sánchez Ruiz < andressanchezrui...@gmail.com> wrote: > Dear Christos, > > Yes, I activate my enviroment and start spyder from there but I get the > error. > > Thank you for answering. > > Best regards, > > Andrés > > El mié, 14 abr 2021 a las 18:20, Christos Kannas > () escribió: > > > > 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 < > andressanchezrui...@gmail.com> 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 > >> () 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 > >> >> () 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 > >> >> >> () 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 2021.03.1py39hfadf033_0 > conda-forge > >> >> >> >> > >> >> >> >> From this enviroment I can call pandas (for example) but not > RDKIT. > >> >> >> >> What is still not working? > >> >> >> >> > >> >> >> >> Best regards, > >> >> >> >> > >> >> >> >> Andrés > >> >> >>
Re: [Rdkit-discuss] ModuleNotFoundError: No module named 'rdkit'
Dear Christos, Yes, I activate my enviroment and start spyder from there but I get the error. Thank you for answering. Best regards, Andrés El mié, 14 abr 2021 a las 18:20, Christos Kannas () escribió: > > 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 > 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 >> () 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 >> > 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 >> >> () 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 >> >> > 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 >> >> >> () 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 >> >> >> > 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 2021.03.1py39hfadf033_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 ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] ModuleNotFoundError: No module named 'rdkit'
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 < andressanchezrui...@gmail.com> 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 > () 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 > >> () 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 > >> >> () 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 2021.03.1py39hfadf033_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 > ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] MinimalLib and Reactjs
Hi, I have compiled the latest RDKit (2021_03_1) into .js and .wasm files using the Dockerfile in $RDBASE/Code/MinimalLib/docker. I would like to use these in a reactjs app. This appears to be non-trivial and after several days of googling and experimentation I am no further forward. Has anyone had success with this that they can share? Thanks, Dave -- David Cosgrove Freelance computational chemistry and chemoinformatics developer http://cozchemix.co.uk ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] ModuleNotFoundError: No module named 'rdkit'
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 () 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 > 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 >> () 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 >> > 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 >> >> () 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 >> >> > 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 2021.03.1py39hfadf033_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
Re: [Rdkit-discuss] ModuleNotFoundError: No module named 'rdkit'
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 > () 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 > >> () 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 2021.03.1py39hfadf033_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
Re: [Rdkit-discuss] ModuleNotFoundError: No module named 'rdkit'
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 () 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 > 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 >> () 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 >> > 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 2021.03.1py39hfadf033_0conda-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
Re: [Rdkit-discuss] ModuleNotFoundError: No module named 'rdkit'
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 > () 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 2021.03.1py39hfadf033_0conda-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
Re: [Rdkit-discuss] ModuleNotFoundError: No module named 'rdkit'
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 () 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 > 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 2021.03.1py39hfadf033_0conda-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
Re: [Rdkit-discuss] ModuleNotFoundError: No module named 'rdkit'
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 2021.03.1py39hfadf033_0conda-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
[Rdkit-discuss] ModuleNotFoundError: No module named 'rdkit'
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 2021.03.1py39hfadf033_0conda-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
