Installation windows Python x86-64 Visual Studio Express Professional

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Warning  STOP: Due to a bug with a high imprecision in a windows 7 system, compiles with Visual Studio Express Professional, See bug #20821, this installation is not recommended!

Download preparation

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.

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-64bit-2.7.x
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.x, which fixes path issues for finding python.

Trick to set variables in cmd

Make a folder own in C:\WinPython27\WinPython-64bit-2.7.x\scripts and
copy C:\WinPython27\WinPython-64bit-2.7.x\scripts\env.bat to C:\WinPython27\WinPython-64bit-2.7.x\scripts\own\pyt64.bat
and copy C:\WinPython27\WinPython-64bit-2.7.x\scripts\cmd.bat to C:\WinPython27\WinPython-64bit-2.7.x\scripts\own\cmdpyt64.bat

Modify pyt64.bat from

set WINPYDIR=%~dp0..\python-2.7.5.amd64

to include ..\

set WINPYDIR=%~dp0..\..\python-2.7.5.amd64

Modify cmdpyt64.bat from

call %~dp0env.bat

to

call %~dp0pyt64.bat

Trick to add .bat files to PATH

If you have permission to change the Environment Variables in windows, you can add the pyt64.bat and cmdpyt64.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.x\scripts\own

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

pyt64
python

Install Visual Studio Professional 2012

See versions of VS 2012 here.
For 64 bit compiling, you will need, Visual Studio Professional, since it has: 64-bit x64 compiler.
From http://www.microsoft.com/visualstudio/eng/downloads, download and install: Visual Studio Professional 2012 90-day trial.
Skip all extra packages install. After install, just exit any program, which opened after install.

Install Subversion checkout of relax

Caution  The information in this section is out of date but is kept for historical reasons. The relax source code is now hosted in a git rather than svn repository.

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/branches/relax_disp relax_disp_64

Build relax

Open the WinPython Command Prompt
Navigate to the SVN checked out relax folder

cd C:\WinPython27\relax_disp_64
scons

Or navigate to C:\WinPython27\relax_disp_64, hold "Shift" and right click, "Open command window here". Write:

pyt64
scons

Modify pyt64.bat

Modify C:\WinPython27\WinPython-64bit-xxx\scripts\own\pyt64.bat, and add to end of file

set PATH=%PATH%;C:\WinPython27\relax_disp_64

Test installation, by clicking C:\WinPython27\WinPython-64bit-xxx\scripts\own\cmdpyt64.bat, and write

relax
relax -g

Tip - shortcut to cmdpyt64.bat

Make shortcut to C:\WinPython27\WinPython-64bit-xxx\scripts\own\cmdpyt64.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.

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-xxx\scripts\own\pyt64.bat, and add to end of file

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

Test installation, by clicking C:\WinPython27\WinPython-64bit-xxx\scripts\own\cmdpyt64.bat, and write

xmgrace

which should start xmgrace.

Python editor

A good lightweight editor for windows could Pyscripter

TEST INSTALLATION

After an installation you should really run an [Installation_test]

Trouble shooting

See also