Re: [Rdkit-discuss] rdkit installation problem
Hi Riccardo, Thanks for the solution. Problem is solved now. This time I installed by explicitly mentioning the versions of rdkit and boost (2015.09.2 and 1.56.0 resp.) I think the problem with the previously mentioned command is that, it was installing rdkit (2014.09.2) and boost (1.60.0) Thanks again.. On Tue, Mar 15, 2016 at 1:37 PM, Riccardo Vianello < riccardo.viane...@gmail.com> wrote: > Hi Kapil, > > I was able to reproduce the problem, I'm having the impression that this > might be a regression due to changes implemented in conda 4.0+. I couldn't > find a way to use 'conda update' to upgrade the initial configuration to > the latest rdkit package, so - as a shortest term solution - I would > suggest reinstalling the environment from scratch. You should be able to > remove the existing environment with something like > > > deactivate my-rdkit-env > > conda remove -n my-rdkit-env --all > > and then create it again, but this time specifying the desired rdkit > version: > > >conda create -n my-rdkit-env -c rdkit rdkit=2015.* > > this should select rdkit 2015.09.2, numpy 1.10 and boost 1.56 > > I hope that helps, ​please let me know if the problems persist, > > Best, > Riccardo > > -- Best Regards Kapil Dhingra Research Scholar, M.S.(Pharm.), Department of Pharmacoinformatics, NIPER, S.A.S. Nagar (*Mohali*), Punjab (India)- 160 062, Mob. No.: +91 - 7508076738 E-mail id: kapil.dhing...@gmail.com -- Transform Data into Opportunity. Accelerate data analysis in your applications with Intel Data Analytics Acceleration Library. Click to learn more. http://pubads.g.doubleclick.net/gampad/clk?id=278785231=/4140___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] rdkit installation problem
Just a reminder for my query... found some previous solutions ... installed Microsoft Visual C++ 2010 Redistributable Package (x86) copied msvcp100 msvcr100 dll in miniconda folder no luck should I switch to normal python instead of miniconda ? On Mon, Mar 14, 2016 at 10:20 AM, kapil dhingra <kapil.dhing...@gmail.com> wrote: > Hi all, > > I am new to rdkit and python. > trying to install rdkit in win7(64). > used following command from rdkit docs > > *C:\Users\manoj\Desktop\SOFTWARE>conda create -c > https://conda.anaconda.org/rdkit <https://conda.anaconda.org/rdkit>* > * -n my-rdkit-env rdkit* > Fetching package metadata: .. > Solving package specifications: .. > > Package plan for installation in environment C:\Miniconda2\envs\my-rdkit-env: > > The following NEW packages will be INSTALLED: > > boost:1.60.0-py27_vc9_0[vc9] > mkl: 11.3.1-0 > msvc_runtime: 1.0.1-vc9_0 [vc9] > numpy:1.9.3-py27_1 > pip: 8.1.0-py27_0 > python: 2.7.11-2 > rdkit:2014.09.2-np19py27_0 > setuptools: 20.2.2-py27_0 > wheel:0.29.0-py27_0 > zlib: 1.2.8-vc9_2 [vc9] > > Proceed ([y]/n)? > > Extracting packages ... > [ COMPLETE ]|##| > 100% > Linking packages ... > [ COMPLETE ]|##| > 100% > # > # To activate this environment, use: > # > activate my-rdkit-env > # > > *C:\Users\manoj\Desktop\SOFTWARE>activate my-rdkit-env* > Deactivating environment "C:\Miniconda2"... > Activating environment "C:\Miniconda2\envs\my-rdkit-env"... > > *[my-rdkit-env] C:\Users\manoj\Desktop\SOFTWARE>python* > Python 2.7.11 |Continuum Analytics, Inc.| (default, Jan 29 2016, 14:26:21) > [MSC > v.1500 64 bit (AMD64)] on win32 > Type "help", "copyright", "credits" or "license" for more information. > Anaconda is brought to you by Continuum Analytics. > Please check out: http://continuum.io/thanks and https://anaconda.org > >>> *from rdkit import Chem* > Traceback (most recent call last): > File "", line 1, in > File > "C:\Miniconda2\envs\my-rdkit-env\lib\site-packages\rdkit\Chem\__init__.py > ", line 18, in > from rdkit import rdBase > ImportError: DLL load failed: The specified module could not be found. > > How can I get rid of this error ? > Why it is installing older version ? > > > -- > > With Kind Regards > > Kapil Dhingra > > Research Scholar, M.S.(Pharm.), > > Department of Pharmacoinformatics, > > NIPER, S.A.S. Nagar (*Mohali*), Punjab (India)- 160 062, > > Mob. No.: +91 - 7508076738 > E-mail id: kapil.dhing...@gmail.com > -- Best Regards Kapil Dhingra Research Scholar, M.S.(Pharm.), Department of Pharmacoinformatics, NIPER, S.A.S. Nagar (*Mohali*), Punjab (India)- 160 062, Mob. No.: +91 - 7508076738 E-mail id: kapil.dhing...@gmail.com -- Transform Data into Opportunity. Accelerate data analysis in your applications with Intel Data Analytics Acceleration Library. Click to learn more. http://pubads.g.doubleclick.net/gampad/clk?id=278785231=/4140___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] rdkit installation problem
Hi all, I am new to rdkit and python. trying to install rdkit in win7(64). used following command from rdkit docs *C:\Users\manoj\Desktop\SOFTWARE>conda create -c https://conda.anaconda.org/rdkit <https://conda.anaconda.org/rdkit>* * -n my-rdkit-env rdkit* Fetching package metadata: .. Solving package specifications: .. Package plan for installation in environment C:\Miniconda2\envs\my-rdkit-env: The following NEW packages will be INSTALLED: boost:1.60.0-py27_vc9_0[vc9] mkl: 11.3.1-0 msvc_runtime: 1.0.1-vc9_0 [vc9] numpy:1.9.3-py27_1 pip: 8.1.0-py27_0 python: 2.7.11-2 rdkit:2014.09.2-np19py27_0 setuptools: 20.2.2-py27_0 wheel:0.29.0-py27_0 zlib: 1.2.8-vc9_2 [vc9] Proceed ([y]/n)? Extracting packages ... [ COMPLETE ]|##| 100% Linking packages ... [ COMPLETE ]|##| 100% # # To activate this environment, use: # > activate my-rdkit-env # *C:\Users\manoj\Desktop\SOFTWARE>activate my-rdkit-env* Deactivating environment "C:\Miniconda2"... Activating environment "C:\Miniconda2\envs\my-rdkit-env"... *[my-rdkit-env] C:\Users\manoj\Desktop\SOFTWARE>python* Python 2.7.11 |Continuum Analytics, Inc.| (default, Jan 29 2016, 14:26:21) [MSC v.1500 64 bit (AMD64)] on win32 Type "help", "copyright", "credits" or "license" for more information. Anaconda is brought to you by Continuum Analytics. Please check out: http://continuum.io/thanks and https://anaconda.org >>> *from rdkit import Chem* Traceback (most recent call last): File "", line 1, in File "C:\Miniconda2\envs\my-rdkit-env\lib\site-packages\rdkit\Chem\__init__.py ", line 18, in from rdkit import rdBase ImportError: DLL load failed: The specified module could not be found. How can I get rid of this error ? Why it is installing older version ? -- With Kind Regards Kapil Dhingra Research Scholar, M.S.(Pharm.), Department of Pharmacoinformatics, NIPER, S.A.S. Nagar (*Mohali*), Punjab (India)- 160 062, Mob. No.: +91 - 7508076738 E-mail id: kapil.dhing...@gmail.com -- Transform Data into Opportunity. Accelerate data analysis in your applications with Intel Data Analytics Acceleration Library. Click to learn more. http://pubads.g.doubleclick.net/gampad/clk?id=278785231=/4140___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
