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