Trouble importing specific python package (RDKit) into R using reticulate










0















I am having trouble importing a specific package using reticulate within R (Feather Spray, version 3.5.1) and RStudio (version 1.1.456) on my MacBook Pro running High Sierra. The Python module I'm working with is called RDKit (https://github.com/rdkit/rdkit). The package works fine on the same computer when importing from the Python command line (or Spyder for that matter) as follows:



>>> import rdkit
import rdkit # directory /Users/pleeferguson/apps/rdkit/rdkit
# /Users/pleeferguson/apps/rdkit/rdkit/__init__.pyc matches /Users/pleeferguson/apps/rdkit/rdkit/__init__.py
import rdkit # precompiled from /Users/pleeferguson/apps/rdkit/rdkit/__init__.pyc
dlopen("/Users/pleeferguson/apps/rdkit/rdkit/rdBase.so", 2);
import rdkit.rdBase # dynamically loaded from /Users/pleeferguson/apps/rdkit/rdkit/rdBase.so
>>>


When I try to import RDKit within RStudio using reticulate, it fails as follows:



> reticulate::use_python("/Library/Frameworks/Python.framework/Versions/2.7/bin/python")
> library(reticulate)
> rdkit <- import_from_path("rdkit", "/Users/pleeferguson/apps/rdkit/rdkit")
Error in py_module_import(module, convert = convert) :
ImportError: No module named rdBase
>


I also tried to import the module directly within R from the terminal (outside of RStudio), where I received a more informative error message:



> reticulate::use_python("/Library/Frameworks/Python.framework/Versions/2.7/bin/python")
> library(reticulate)
> rdkit <- import("rdkit")
Error in py_module_import(module, convert = convert) :
ImportError: dlopen(/Users/pleeferguson/apps/rdkit/rdkit/rdBase.so, 2): Library not loaded: @rpath/libRDKitRDBoost.1.dylib
Referenced from: /Users/pleeferguson/apps/rdkit/rdkit/rdBase.so
Reason: image not found

Detailed traceback:
File "/Users/pleeferguson/apps/rdkit/rdkit/__init__.py", line 2, in <module>
from .rdBase import rdkitVersion as __version__
>


I've verified that there is indeed a symlink named libRDKitRDBoost.1.dylib at the right place and pointing to the correct dylib file (it does exist within the lib directory of the RDKit package).



Also, I have no trouble importing other packages (e.g. pandas) within RStudio using reticulate:



> reticulate::use_python("/Library/Frameworks/Python.framework/Versions/2.7/bin/python")
> library(reticulate)
> pd <- import("pandas", as = "pd")
>


On my other MacBook Pro with an earlier version of both R (Sincere Pumpkin Patch) and RDKit (2015 build), the rdkit package loads just fine (and is functional) from within RStudio, using reticulate.



Any ideas what might be happening here? I don't think it is an RStudio issue, as I've tried installing the newest daily build of RStudio but get the same behavior. Also, the fact that I can't get the package to import from R within the terminal (outside of RStudio) tells me it must be something else.










share|improve this question


























    0















    I am having trouble importing a specific package using reticulate within R (Feather Spray, version 3.5.1) and RStudio (version 1.1.456) on my MacBook Pro running High Sierra. The Python module I'm working with is called RDKit (https://github.com/rdkit/rdkit). The package works fine on the same computer when importing from the Python command line (or Spyder for that matter) as follows:



    >>> import rdkit
    import rdkit # directory /Users/pleeferguson/apps/rdkit/rdkit
    # /Users/pleeferguson/apps/rdkit/rdkit/__init__.pyc matches /Users/pleeferguson/apps/rdkit/rdkit/__init__.py
    import rdkit # precompiled from /Users/pleeferguson/apps/rdkit/rdkit/__init__.pyc
    dlopen("/Users/pleeferguson/apps/rdkit/rdkit/rdBase.so", 2);
    import rdkit.rdBase # dynamically loaded from /Users/pleeferguson/apps/rdkit/rdkit/rdBase.so
    >>>


    When I try to import RDKit within RStudio using reticulate, it fails as follows:



    > reticulate::use_python("/Library/Frameworks/Python.framework/Versions/2.7/bin/python")
    > library(reticulate)
    > rdkit <- import_from_path("rdkit", "/Users/pleeferguson/apps/rdkit/rdkit")
    Error in py_module_import(module, convert = convert) :
    ImportError: No module named rdBase
    >


    I also tried to import the module directly within R from the terminal (outside of RStudio), where I received a more informative error message:



    > reticulate::use_python("/Library/Frameworks/Python.framework/Versions/2.7/bin/python")
    > library(reticulate)
    > rdkit <- import("rdkit")
    Error in py_module_import(module, convert = convert) :
    ImportError: dlopen(/Users/pleeferguson/apps/rdkit/rdkit/rdBase.so, 2): Library not loaded: @rpath/libRDKitRDBoost.1.dylib
    Referenced from: /Users/pleeferguson/apps/rdkit/rdkit/rdBase.so
    Reason: image not found

    Detailed traceback:
    File "/Users/pleeferguson/apps/rdkit/rdkit/__init__.py", line 2, in <module>
    from .rdBase import rdkitVersion as __version__
    >


    I've verified that there is indeed a symlink named libRDKitRDBoost.1.dylib at the right place and pointing to the correct dylib file (it does exist within the lib directory of the RDKit package).



    Also, I have no trouble importing other packages (e.g. pandas) within RStudio using reticulate:



    > reticulate::use_python("/Library/Frameworks/Python.framework/Versions/2.7/bin/python")
    > library(reticulate)
    > pd <- import("pandas", as = "pd")
    >


    On my other MacBook Pro with an earlier version of both R (Sincere Pumpkin Patch) and RDKit (2015 build), the rdkit package loads just fine (and is functional) from within RStudio, using reticulate.



    Any ideas what might be happening here? I don't think it is an RStudio issue, as I've tried installing the newest daily build of RStudio but get the same behavior. Also, the fact that I can't get the package to import from R within the terminal (outside of RStudio) tells me it must be something else.










    share|improve this question
























      0












      0








      0








      I am having trouble importing a specific package using reticulate within R (Feather Spray, version 3.5.1) and RStudio (version 1.1.456) on my MacBook Pro running High Sierra. The Python module I'm working with is called RDKit (https://github.com/rdkit/rdkit). The package works fine on the same computer when importing from the Python command line (or Spyder for that matter) as follows:



      >>> import rdkit
      import rdkit # directory /Users/pleeferguson/apps/rdkit/rdkit
      # /Users/pleeferguson/apps/rdkit/rdkit/__init__.pyc matches /Users/pleeferguson/apps/rdkit/rdkit/__init__.py
      import rdkit # precompiled from /Users/pleeferguson/apps/rdkit/rdkit/__init__.pyc
      dlopen("/Users/pleeferguson/apps/rdkit/rdkit/rdBase.so", 2);
      import rdkit.rdBase # dynamically loaded from /Users/pleeferguson/apps/rdkit/rdkit/rdBase.so
      >>>


      When I try to import RDKit within RStudio using reticulate, it fails as follows:



      > reticulate::use_python("/Library/Frameworks/Python.framework/Versions/2.7/bin/python")
      > library(reticulate)
      > rdkit <- import_from_path("rdkit", "/Users/pleeferguson/apps/rdkit/rdkit")
      Error in py_module_import(module, convert = convert) :
      ImportError: No module named rdBase
      >


      I also tried to import the module directly within R from the terminal (outside of RStudio), where I received a more informative error message:



      > reticulate::use_python("/Library/Frameworks/Python.framework/Versions/2.7/bin/python")
      > library(reticulate)
      > rdkit <- import("rdkit")
      Error in py_module_import(module, convert = convert) :
      ImportError: dlopen(/Users/pleeferguson/apps/rdkit/rdkit/rdBase.so, 2): Library not loaded: @rpath/libRDKitRDBoost.1.dylib
      Referenced from: /Users/pleeferguson/apps/rdkit/rdkit/rdBase.so
      Reason: image not found

      Detailed traceback:
      File "/Users/pleeferguson/apps/rdkit/rdkit/__init__.py", line 2, in <module>
      from .rdBase import rdkitVersion as __version__
      >


      I've verified that there is indeed a symlink named libRDKitRDBoost.1.dylib at the right place and pointing to the correct dylib file (it does exist within the lib directory of the RDKit package).



      Also, I have no trouble importing other packages (e.g. pandas) within RStudio using reticulate:



      > reticulate::use_python("/Library/Frameworks/Python.framework/Versions/2.7/bin/python")
      > library(reticulate)
      > pd <- import("pandas", as = "pd")
      >


      On my other MacBook Pro with an earlier version of both R (Sincere Pumpkin Patch) and RDKit (2015 build), the rdkit package loads just fine (and is functional) from within RStudio, using reticulate.



      Any ideas what might be happening here? I don't think it is an RStudio issue, as I've tried installing the newest daily build of RStudio but get the same behavior. Also, the fact that I can't get the package to import from R within the terminal (outside of RStudio) tells me it must be something else.










      share|improve this question














      I am having trouble importing a specific package using reticulate within R (Feather Spray, version 3.5.1) and RStudio (version 1.1.456) on my MacBook Pro running High Sierra. The Python module I'm working with is called RDKit (https://github.com/rdkit/rdkit). The package works fine on the same computer when importing from the Python command line (or Spyder for that matter) as follows:



      >>> import rdkit
      import rdkit # directory /Users/pleeferguson/apps/rdkit/rdkit
      # /Users/pleeferguson/apps/rdkit/rdkit/__init__.pyc matches /Users/pleeferguson/apps/rdkit/rdkit/__init__.py
      import rdkit # precompiled from /Users/pleeferguson/apps/rdkit/rdkit/__init__.pyc
      dlopen("/Users/pleeferguson/apps/rdkit/rdkit/rdBase.so", 2);
      import rdkit.rdBase # dynamically loaded from /Users/pleeferguson/apps/rdkit/rdkit/rdBase.so
      >>>


      When I try to import RDKit within RStudio using reticulate, it fails as follows:



      > reticulate::use_python("/Library/Frameworks/Python.framework/Versions/2.7/bin/python")
      > library(reticulate)
      > rdkit <- import_from_path("rdkit", "/Users/pleeferguson/apps/rdkit/rdkit")
      Error in py_module_import(module, convert = convert) :
      ImportError: No module named rdBase
      >


      I also tried to import the module directly within R from the terminal (outside of RStudio), where I received a more informative error message:



      > reticulate::use_python("/Library/Frameworks/Python.framework/Versions/2.7/bin/python")
      > library(reticulate)
      > rdkit <- import("rdkit")
      Error in py_module_import(module, convert = convert) :
      ImportError: dlopen(/Users/pleeferguson/apps/rdkit/rdkit/rdBase.so, 2): Library not loaded: @rpath/libRDKitRDBoost.1.dylib
      Referenced from: /Users/pleeferguson/apps/rdkit/rdkit/rdBase.so
      Reason: image not found

      Detailed traceback:
      File "/Users/pleeferguson/apps/rdkit/rdkit/__init__.py", line 2, in <module>
      from .rdBase import rdkitVersion as __version__
      >


      I've verified that there is indeed a symlink named libRDKitRDBoost.1.dylib at the right place and pointing to the correct dylib file (it does exist within the lib directory of the RDKit package).



      Also, I have no trouble importing other packages (e.g. pandas) within RStudio using reticulate:



      > reticulate::use_python("/Library/Frameworks/Python.framework/Versions/2.7/bin/python")
      > library(reticulate)
      > pd <- import("pandas", as = "pd")
      >


      On my other MacBook Pro with an earlier version of both R (Sincere Pumpkin Patch) and RDKit (2015 build), the rdkit package loads just fine (and is functional) from within RStudio, using reticulate.



      Any ideas what might be happening here? I don't think it is an RStudio issue, as I've tried installing the newest daily build of RStudio but get the same behavior. Also, the fact that I can't get the package to import from R within the terminal (outside of RStudio) tells me it must be something else.







      python r reticulate






      share|improve this question













      share|improve this question











      share|improve this question




      share|improve this question










      asked Nov 14 '18 at 3:14









      plf27516plf27516

      257




      257






















          0






          active

          oldest

          votes











          Your Answer






          StackExchange.ifUsing("editor", function ()
          StackExchange.using("externalEditor", function ()
          StackExchange.using("snippets", function ()
          StackExchange.snippets.init();
          );
          );
          , "code-snippets");

          StackExchange.ready(function()
          var channelOptions =
          tags: "".split(" "),
          id: "1"
          ;
          initTagRenderer("".split(" "), "".split(" "), channelOptions);

          StackExchange.using("externalEditor", function()
          // Have to fire editor after snippets, if snippets enabled
          if (StackExchange.settings.snippets.snippetsEnabled)
          StackExchange.using("snippets", function()
          createEditor();
          );

          else
          createEditor();

          );

          function createEditor()
          StackExchange.prepareEditor(
          heartbeatType: 'answer',
          autoActivateHeartbeat: false,
          convertImagesToLinks: true,
          noModals: true,
          showLowRepImageUploadWarning: true,
          reputationToPostImages: 10,
          bindNavPrevention: true,
          postfix: "",
          imageUploader:
          brandingHtml: "Powered by u003ca class="icon-imgur-white" href="https://imgur.com/"u003eu003c/au003e",
          contentPolicyHtml: "User contributions licensed under u003ca href="https://creativecommons.org/licenses/by-sa/3.0/"u003ecc by-sa 3.0 with attribution requiredu003c/au003e u003ca href="https://stackoverflow.com/legal/content-policy"u003e(content policy)u003c/au003e",
          allowUrls: true
          ,
          onDemand: true,
          discardSelector: ".discard-answer"
          ,immediatelyShowMarkdownHelp:true
          );



          );













          draft saved

          draft discarded


















          StackExchange.ready(
          function ()
          StackExchange.openid.initPostLogin('.new-post-login', 'https%3a%2f%2fstackoverflow.com%2fquestions%2f53292681%2ftrouble-importing-specific-python-package-rdkit-into-r-using-reticulate%23new-answer', 'question_page');

          );

          Post as a guest















          Required, but never shown

























          0






          active

          oldest

          votes








          0






          active

          oldest

          votes









          active

          oldest

          votes






          active

          oldest

          votes















          draft saved

          draft discarded
















































          Thanks for contributing an answer to Stack Overflow!


          • Please be sure to answer the question. Provide details and share your research!

          But avoid


          • Asking for help, clarification, or responding to other answers.

          • Making statements based on opinion; back them up with references or personal experience.

          To learn more, see our tips on writing great answers.




          draft saved


          draft discarded














          StackExchange.ready(
          function ()
          StackExchange.openid.initPostLogin('.new-post-login', 'https%3a%2f%2fstackoverflow.com%2fquestions%2f53292681%2ftrouble-importing-specific-python-package-rdkit-into-r-using-reticulate%23new-answer', 'question_page');

          );

          Post as a guest















          Required, but never shown





















































          Required, but never shown














          Required, but never shown












          Required, but never shown







          Required, but never shown

































          Required, but never shown














          Required, but never shown












          Required, but never shown







          Required, but never shown







          這個網誌中的熱門文章

          How to read a connectionString WITH PROVIDER in .NET Core?

          Node.js Script on GitHub Pages or Amazon S3

          Museum of Modern and Contemporary Art of Trento and Rovereto