Installation windows Python x86-32 Visual Studio Express for Windows Desktop

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Download preparation

This guide should follow Homepage for MS Windows development platform

First: Download these packages, do not unpack them yet.

  1. (.exe): wxPython: http://www.lfd.uci.edu/~gohlke/pythonlibs/#wxpython
  2. (.exe): scons: http://www.lfd.uci.edu/~gohlke/pythonlibs/#scons
  3. (.zip): minfx: http://download.gna.org/minfx/
  4. (.zip): bmrblib: http://download.gna.org/bmrblib/

take amd64 versions if you have a computer with 64 bit.

Install python and necessary packages

I recommend to install a python distribution which is packed with several packages already.

Winpython

You could consider winpython, which includes Ipython, numpy, scipy. matplotlib etc.:
Homepage

Make a folder: C:\WinPython27.
Run the downloaded winpython exe file, and extract to: C:\WinPython27.
Open WinPython Control Panel in ex. C:\WinPython27\WinPython-32bit-2.7.5.1
Drag the 4 above mentioned packakes, into the window, and install the packages.
For a command window, use the WinPython Command Prompt found in C:\WinPython27\WinPython-64bit-2.7.4.1, which fixes path issues for finding python.

Install Visual Studio Express 2012 for Windows Desktop

See versions of VS 2012 here.
Take 32 bit compiling, since a horrible imprecision bug has been reported for 64 bit building. See bug #20821.

For 32 bit compiling, you will only need, Visual Studio Express for Windows Desktop.
From http://www.microsoft.com/visualstudio/eng/downloads, download and install: Visual Studio 2012 Express for Windows Desktop.
Skip all extra packages install. After install, just exit any program, which opened after install.

Bugfix scons for 32bit building

Due to a bug, versions of scons <=2.3 should alter a line in:
C:\WinPython27\WinPython-64bit-2.7.5.1\python-2.7.5.amd64\Lib\site-packages\scons-2.3.0\SCons\Tool\MSCommon\vc.py

Line 364:

    if not req_target_platform and target_platform in ('amd64','x86_64'):
        try_target_archs.append('x86')

Should be:

    #if not req_target_platform and target_platform in ('amd64','x86_64'):
    #    try_target_archs.append('x86')
    if target_platform in ('amd64','x86_64'):
        try_target_archs.append('x86')
    print "requested", req_target_platform
    print "target", target_platform
    print "try", try_target_archs

If not fixing the bug, you will get:

C:\WinPython27\relax_disp>scons
scons: Reading SConscript files ...
scons: done reading SConscript files.
scons: Building targets ...

###########################
# Compiling the C modules #
###########################
Building the relaxation curve fitting module 'target_functions\\relax_fit.pyd'

cl /Fotarget_functions\c_chi2.obj /c target_functions\c_chi2.c /nologo /I"C:\Win
Python27\WinPython-64bit-2.7.5.1\scripts\..\python-2.7.5.amd64\include"
'cl' is not recognized as an internal or external command,
operable program or batch file.
scons: *** [target_functions\c_chi2.obj] Error 1
scons: building terminated because of errors.

Install Subversion checkout of relax

Install a subversion client. For example: http://tortoisesvn.net/

Right click in winpython folder: C:\WinPython27, and select SVN Checkout. Write the path:

svn://svn.gna.org/svn/relax/trunk
svn://svn.gna.org/svn/relax/branches/relax_disp

Build relax

Open the WinPython Command Prompt
Navigate to the SVN checked out relax folder.
First we need to run the variable setup vcvars32.bat or vcvarsall.bat x86 for Microsoft Visual Studio 11.0, before we can compile.

cd C:\WinPython27\relax_disp
"C:\Program Files (x86)\Microsoft Visual Studio 11.0\VC\bin\vcvars32.bat"
"C:\Program Files (x86)\Microsoft Visual Studio 11.0\VC\bin\x86_amd64\vcvarsx86_amd64.bat"
"C:\Program Files (x86)\Microsoft Visual Studio 11.0\VC\vcvarsall.bat" x86
"C:\Program Files (x86)\Microsoft Visual Studio 11.0\VC\vcvarsall.bat" x86_amd64
echo %PROCESSOR_ARCHITECTURE%
set PROCESSOR_ARCHITECTURE=x86
echo %PROCESSOR_ARCHITECTURE%
scons

(Scons will automatically find CL.exe, and setup compilation for 64 bit.)

Modify env.bat

Modify C:\WinPython27\WinPython-64bit-2.7.5.1\scripts\env.bat, and add to end of file

set PATH=%PATH%;C:\WinPython27\relax_disp

Test installation, by clicking C:\WinPython27\WinPython-64bit-2.7.5.1\scripts\cmd.bat, and write

relax
relax -g

Tip - shortcut to cmd.bat

Make shortcut to C:\WinPython27\WinPython-64bit-2.7.5.1\scripts\cmd.bat, and modify the shortcut. Set

Start in: %PWD%

You can now copy this shortcut around, which open a command prompt at the current folder, and set the paths correctly.

Tip - add env.bat to windows path

If you have permission to change the Environment Variables in windows, you can add the env.bat to your path.
Right click Computer -> properties -> Advanced system settings -> Environment Variables -> User variables -> Edit: PATH
Add to end of the Variable value:

;C:\WinPython27\WinPython-64bit-2.7.5.1\scripts

In any folder, hold "Shift" and right click, "Open command window here". Write:

env
relax -g

Install other software

xmgrace - for the plotting results of NMR-relax

relax produces xmgrace "'.agr" files for plotting. There exist two ports for xmgrace to windows QtGrace and GraceGTK.
Download QtGrace, and unpack to C:\WinPython27\qtgrace_windows_binary.
Then copy C:\WinPython27\qtgrace_windows_binary\bin\qtgrace.exe to C:\WinPython27\qtgrace_windows_binary\bin\xmgrace.exe

Modify C:\WinPython27\WinPython-64bit-2.7.5.1\scripts\env.bat, and add to end of file

set PATH=%PATH%;C:\WinPython27\qtgrace_windows_binary\bin

Test installation, by clicking C:\WinPython27\WinPython-64bit-2.7.5.1\scripts\cmd.bat, and write

xmgrace

which should start xmgrace.

Python editor

A good lightweight editor for windows could Pyscripter

Trouble shooting

See also