Generating python wrappers

[julien]

Hi, 

Could someone please give me some guidance to generate new python wrappers for the latest code.

I have installed Scientific Linux 5.10, and checked out corelib and python2. 

I need now at least py++, pygccxml, gccxml. Should I compile from source? Is any version compatible?

Thanks, 

Julien

[Gaetano Calabró]

Hi Julien,

You have to check out the python not the python2 version. I had many headaches about it!  

svn checkout https://sire.googlecode.com/svn/python/branches/users/nividic

You need gccxml, it cannot be included in the sire  bundle because of its problems with QT5. I checked my VM installation and I used Py++ 1.00 and Pygccxml 1.0.0 as well. I compiled from scratch the gccxml version 0.9.0 (I think it is the latest one).

I compiled everything from sources. Do not forget to install OpenMM as well along with its dependencies.

Let me know if you have problems.

Tomorrow morning I’m going to submit my free energy code.

Cheers,

Gaetano

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[julien]

Hi Gaetano, 

Where did you download the gccxml sources ? I only find a git repository.  

thanks, 

Julien

On Thursday, July 24, 2014 10:55:13 PM UTC+1, Gaetano Calabró wrote:

Hi Julien,

You have to check out the python not the python2 version. I had many headaches about it!  

svn checkout https://sire.googlecode.com/svn/python/branches/users/nividic

You need gccxml, it cannot be included in the sire  bundle because of its problems with QT5. I checked my VM installation and I used Py++ 1.00 and Pygccxml 1.0.0 as well. I compiled from scratch the gccxml version 0.9.0 (I think it is the latest one).

I compiled everything from sources. Do not forget to install OpenMM as well along with its dependencies.

Let me know if you have problems.

Tomorrow morning I’m going to submit my free energy code.

Cheers,

Gaetano

On 24 Jul 2014, at 22:40, julien <julie...@googlemail.com> wrote:

Hi, 

Could someone please give me some guidance to generate new python wrappers for the latest code.

I have installed Scientific Linux 5.10, and checked out corelib and python2. 

I need now at least py++, pygccxml, gccxml. Should I compile from source? Is any version compatible?

Thanks, 

Julien

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[julien]

To follow up...What exactly did you have to compile from source? I can't compile OpenMM without compiling a newer version of ccmake, which requires adding other missing libraries to the Scientific Linux distrib. Do we need to have a fully working OpenMM build (with Python wrappers etc...). 

I feel like I will end up spending a few days compiling everything from source....

[Gaetano Calabró]

Hi Julien,

go to this page

https://github.com/gccxml/gccxml

and click “Download Zip” on the right of the page

Cheers,

Gaetano

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