Hi Greg, I am using 32-bit python27 and anaconda (with 64-bit windows 10).
So I cannot update to latest version and test <jupyter cracked when drawing
with "abnormal" operation of rdMolDraw2D> as you proposed several days ago.
Since it did not trouble me, I plan to upgrade all this environment in the
future.
BTW, is it necessary to upgrade python into 3.6 in case that RDkit won't
support python2. I prefer 2.7 at least for now :)
Hongbin Yang
From: Greg LandrumDate: 2017-02-20 23:02To: Michal KrompiecCC:
rdkit-discuss@lists.sourceforge.netSubject: Re: [Rdkit-discuss] problems with
installation on conda with python 3.5 32-bitHi Michal,
We've only ever done python2.7 builds for win32 and we stopped doing those with
the 2016.03 release.I will have to check, but I think I probably can start
doing these again, but I'm reluctant due to the amount of effort required.How
many users do you need to support who are stuck on 32bit machines?
-greg
On Mon, Feb 20, 2017 at 2:18 PM, Michal Krompiec <michal.kromp...@gmail.com>
wrote:
Hello,I can't install rdkit on anaconda with 32-bit python3 on Windows 7.
When I try "the usual", conda tries to install python2.7 into the environment:
>conda create -c rdkit -n my-rdkit-env rdkit
Fetching package metadata .............
Solving package specifications: .Package plan for installation in environment
C:\Anaconda3_32\envs\my-rdkit-env:The following NEW packages will be INSTALLED:
boost: 1.56.0-py27_3 rdkit
bzip2: 1.0.6-vc9_3 [vc9]
mkl: 2017.0.1-0
numpy: 1.11.3-py27_0
pip: 9.0.1-py27_1
python: 2.7.13-0
rdkit: 2016.03.1-np111py27_1 rdkit
setuptools: 27.2.0-py27_1
vs2008_runtime: 9.00.30729.5054-0
wheel: 0.29.0-py27_0
zlib: 1.2.8-vc9_3 [vc9]
If I create an empty environment, load python 3.5 into it and try installing
rdkit, I get an error:
>conda create -n my-rdkit-env python=3.5
Fetching package metadata ...........
Solving package specifications: .Package plan for installation in environment
C:\Anaconda3_32\envs\my-rdkit-env:The following NEW packages will be INSTALLED:
pip: 9.0.1-py35_1
python: 3.5.2-0
setuptools: 27.2.0-py35_1
vs2015_runtime: 14.0.25123-0
wheel: 0.29.0-py35_0Proceed ([y]/n)?#
# To activate this environment, use:
# > activate my-rdkit-env
#
# To deactivate this environment, use:
# > deactivate my-rdkit-env
#
# * for power-users using bash, you must source
#
>conda install --name my-rdkit-env -f --channel
>https://conda.anaconda.org/rdkit rdkit
Fetching package metadata .............
Solving package specifications: .
UnsatisfiableError: The following specifications were found to be in conflict:
- python 3.5*
- rdkit -> python 2.7*
Use "conda info <package>" to see the dependencies for each package.
I managed to install rdkit without any problems on the same machine in 64-bit
anaconda with python3.5, but I need a separate 32-bit build to support users
with 32-bit machines. Any help will be appreciated.
Thanks and best regards,
Michal
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