Thanks for writing in Matt!
Do you or any other readers think there is any chance that a small manual
fix to RDConfig.py could fix the problem? I have very little experience
with building anything from source and would like to use the newest version
of rdkit if possible. Would it be as simple as adding the *.sep* to
*<Anaconda>/lib/site-packages\rdkit\RDConfig.py* ?
Curt
On Wed, Dec 21, 2016 at 2:22 AM, Matthew Swain <m.sw...@me.com> wrote:
> I've also encountered this problem with the 2016.09.2 windows packages on
> the rdkit conda channel. It looks like somehow the RDConfig patch in the
> conda recipe hasn't been applied properly in the published packages.
>
> The original lines in the rdkit are:
>
> condaDir += ['share', 'RDKit']
> _share = os.path.join(*condaDir)
>
> The conda recipe has a Windows-specific patch to change this to:
>
> condaDir += ['Library','share','RDKit']
> _share = os.path.sep.join(condaDir)
>
> Which looks fine (although the second line doesn't really need changing?).
> But in the published packages it is:
>
> condaDir += ['share', 'RDKit', 'RDKit']
> _share = os.path.join(condaDir)
>
> This causes the AttributeError because it incorrectly passes a list to
> os.path.join, with no asterisk for unpacking the list into *args. The first
> line is also incorrect.
>
> I built the package myself from the recipe, and didn't see this issue.
>
> Matt
>
> On Dec 09, 2016, at 05:05 PM, Curt Fischer <curt.r.fisc...@gmail.com>
> wrote:
>
> I'm not sure of the source of the problem with the conda 2016.09 release
> on my Windows box, but I was able to revert to a 2016.03 release with a *conda
> install -c rmg rdkit=2016.03**
>
> conda couldn't seem to solve the specifications automagically, but after I
> uninstalled boost and did the above command, it identified the proper boost
> to install along with the 2016.03 rdkit.
>
> I now have a functioning rdkit again, but would still be interested in
> hearing from anyone that experiences a similar problem.
>
> On Thu, Dec 8, 2016 at 9:27 AM, Curt Fischer <curt.r.fisc...@gmail.com>
> wrote:
>
>> To update rdkit to the September release, I recently did a
>>
>> *conda install -f --channel https://conda.anaconda.org/rdkit
>> <https://conda.anaconda.org/rdkit> rdkit*
>>
>> on my Windows box, and everything seemed to update fine.
>>
>> However now, when I try from rdkit import Chem, I get the disturbing
>> error message below.
>>
>> Is this a sign that my particular installation got borked somehow, and I
>> maybe I should reinstall everything again? Or is this perchance a known
>> issue with the 2016.09 release? If the latter, how do I roll back to the
>> old release using conda? I tried a *conda install --channel
>> https://conda.anaconda.org/rdkit <https://conda.anaconda.org/rdkit>
>> rdkit=2016.03.4 *but that didn't seem to do it.
>>
>> Thanks all for any help!
>>
>> Curt
>>
>> ---------------------------------------------------------------------------AttributeError
>> Traceback (most recent call
>> last)<ipython-input-5-17d7acb427ab> in <module>()----> 1 from rdkit import
>> Chem
>> C:\Anaconda2\lib\site-packages\rdkit\Chem\__init__.py in <module>() 17
>> """ 18 from rdkit import rdBase---> 19 from rdkit import RDConfig 20
>> 21 from rdkit import DataStructs
>> C:\Anaconda2\lib\site-packages\rdkit\RDConfig.py in <module>() 31
>> condaDir[0] = os.path.sep 32 condaDir += ['share', 'RDKit',
>> 'RDKit']---> 33 _share = os.path.join(condaDir) 34 RDDataDir =
>> os.path.join(_share, 'Data') 35 RDDocsDir = os.path.join(_share,
>> 'Docs')
>> C:\Anaconda2\lib\ntpath.pyc in join(path, *paths) 63 def join(path,
>> *paths): 64 """Join two or more pathname components, inserting "\\"
>> as needed."""---> 65 result_drive, result_path = splitdrive(path) 66
>> for p in paths: 67 p_drive, p_path = splitdrive(p)
>> C:\Anaconda2\lib\ntpath.pyc in splitdrive(p) 114 """ 115 if
>> len(p) > 1:--> 116 normp = p.replace(altsep, sep) 117 if
>> (normp[0:2] == sep*2) and (normp[2:3] != sep): 118 # is a UNC
>> path:
>> AttributeError: 'list' object has no attribute 'replace'
>>
>>
> ------------------------------------------------------------
> ------------------
> Developer Access Program for Intel Xeon Phi Processors
> Access to Intel Xeon Phi processor-based developer platforms.
> With one year of Intel Parallel Studio XE.
> Training and support from Colfax.
> Order your platform today.http://sdm.link/xeonphi
> _______________________________________________
> Rdkit-discuss mailing list
> Rdkit-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
>
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, SlashDot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
