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










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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
























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      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






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      asked Nov 14 '18 at 3:14









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