Re: [Rdkit-discuss] problems with installation on conda with python 3.5 32-bit

2017-02-22 Thread Michal Krompiec 
Hi Greg,
Thanks a lot, your help is much appreciated!
Thanks and kind regards,
Michal

On 22 February 2017 at 07:04, Greg Landrum  wrote:

> Michal,
>
> This morning I did a win32 build of the RDKit with python 3.5 and pushed
> it to anaconda. You should (hopefully) be able to do "conda install -c
> rdkit rdkit" now and have things work. I will try python 2.7 tomorrow.
>
> It turns out that this isn't much extra effort, so assuming this build
> works I should be able to keep doing these.
>
> -greg
>
>
> On Mon, Feb 20, 2017 at 9:33 PM, Michal Krompiec <
> michal.kromp...@gmail.com> wrote:
>
>> Hi Greg,
>> Thanks for your reply. Actually, >50% of my (prospective) users are stuck
>> on 32-bit. It would be really nice to have a python3 build (even once a
>> year) but I understand that the demand is low and waning. I guess the
>> solution is to use python2.7 for the time being...
>> Thanks and kind regards,
>> Michal
>>
>> On Monday, 20 February 2017, Greg Landrum  wrote:
>>
>>> Hi 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_0
 Proceed ([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 " 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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>>>
>
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Re: [Rdkit-discuss] problems with installation on conda with python 3.5 32-bit

2017-02-21 Thread Greg Landrum 
Michal,

This morning I did a win32 build of the RDKit with python 3.5 and pushed it
to anaconda. You should (hopefully) be able to do "conda install -c rdkit
rdkit" now and have things work. I will try python 2.7 tomorrow.

It turns out that this isn't much extra effort, so assuming this build
works I should be able to keep doing these.

-greg


On Mon, Feb 20, 2017 at 9:33 PM, Michal Krompiec 
wrote:

> Hi Greg,
> Thanks for your reply. Actually, >50% of my (prospective) users are stuck
> on 32-bit. It would be really nice to have a python3 build (even once a
> year) but I understand that the demand is low and waning. I guess the
> solution is to use python2.7 for the time being...
> Thanks and kind regards,
> Michal
>
> On Monday, 20 February 2017, Greg Landrum  wrote:
>
>> Hi 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_0
>>> Proceed ([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 " 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
>>>
>>>
>>> 
>>> --
>>> Check out the vibrant tech community on one of the world's most
>>> engaging tech sites, SlashDot.org! http://sdm.link/slashdot
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>>> Rdkit-discuss@lists.sourceforge.net
>>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>>>
>>>
>>
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Re: [Rdkit-discuss] problems with installation on conda with python 3.5 32-bit

2017-02-20 Thread Greg Landrum 
On Tue, Feb 21, 2017 at 4:18 AM, 杨弘宾  wrote:

> Hi Greg,
> I am using 32-bit python27 and anaconda (with 64-bit windows 10). So I
> cannot update to latest version and test  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.
>

Is there any particular reason you are using 32bit python on a 64bit system?

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 :)
>

I do not plan to discontinue support for python2 anytime in the foreseeable
future. There are still too many people who have not (or can not without
doing a lot of work) migrate to python 3. The RDKit will most likely
continue to support Python 2.7 for as long as the Python developers support
Python 2.7.

Having said that: anyone who does not have a large legacy base to support
or who is starting a new project *really* should use Python 3. Python 2 is
considered legacy by the Python developers and nothing new has been added
to it since 2010. All current and future development effort is focused on
Python 3 and the Python developers currently plan to stop supporting Python
2 in 2020. Whether you believe that date or not, the longer you wait to
make the move the harder it will be to do so.

-greg
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Re: [Rdkit-discuss] problems with installation on conda with python 3.5 32-bit

2017-02-20 Thread 杨弘宾 

Hi Greg,    I am using 32-bit python27 and anaconda (with 64-bit windows 10). 
So I cannot update to latest version and test  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  
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 " 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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Re: [Rdkit-discuss] problems with installation on conda with python 3.5 32-bit

2017-02-20 Thread Michal Krompiec 
Hi Greg,
Thanks for your reply. Actually, >50% of my (prospective) users are stuck
on 32-bit. It would be really nice to have a python3 build (even once a
year) but I understand that the demand is low and waning. I guess the
solution is to use python2.7 for the time being...
Thanks and kind regards,
Michal

On Monday, 20 February 2017, Greg Landrum  wrote:

> Hi 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_0
>> Proceed ([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 " 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
>>
>>
>> 
>> --
>> Check out the vibrant tech community on one of the world's most
>> engaging tech sites, SlashDot.org! http://sdm.link/slashdot
>> ___
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>> Rdkit-discuss@lists.sourceforge.net
>> 
>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>>
>>
>
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Re: [Rdkit-discuss] problems with installation on conda with python 3.5 32-bit

2017-02-20 Thread Greg Landrum 
Hi 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 
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_0
> Proceed ([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 " 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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> engaging tech sites, SlashDot.org! http://sdm.link/slashdot
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