This worked for me. Thanks Greg. CF
On Tue, Jan 3, 2017 at 8:03 PM, Greg Landrum <greg.land...@gmail.com> wrote:
> Curt,
>
> If you change lines 32 and 33 in <Anaconda>/lib/site-
> packages\rdkit\RDConfig.py
> to:
> condaDir += ['Library', 'share', 'RDKit']
> _share = os.path.join(*condaDir)
>
> I think it should work.
>
> Sorry for the inconvenience here; we will fix it before running the next
> conda builds.
>
> -greg
>
>
> On Wed, Jan 4, 2017 at 1:44 AM, Curt Fischer <curt.r.fisc...@gmail.com>
> wrote:
>
>>
>> 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'
>>>>
>>>>
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>>>
>>
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