Hi,
I was hoping to get the numerical integration from Scipy into relax as
well, but this is far more complicated. I only use the
scipy.integrate.quad() function, which is simply an interface for a
function from the Fortran library QUADPACK
(http://docs.scipy.org/doc/scipy/reference/generated/scipy.integrate.quad.html).
It is a BSD licence, so it can be legally integrated into relax. But
is will probably require code compilation. I haven't looked into it
in detail, but I'm guessing it could be done.
Cheers,
Edward
On 4 June 2011 08:44, Sébastien Morin <sebastien.morin.1@xxxxxxxxx> wrote:
Hi Ed,
That's a very good idea !
Less dependencies means an easier access for users (and potentially a more
stable code)..!
Are there any other dependencies you plan to include into relax's source
code ???
Cheers,
Séb :)
On 11-06-03 6:34 PM, edward@xxxxxxxxxxxxx wrote:
Author: bugman
Date: Fri Jun 3 18:34:53 2011
New Revision: 12855
URL: http://svn.gna.org/viewcvs/relax?rev=12855&view=rev
Log:
Removed Scientific python from the dependency list in the user manual.
Modified:
1.3/docs/latex/install.tex
Modified: 1.3/docs/latex/install.tex
URL:
http://svn.gna.org/viewcvs/relax/1.3/docs/latex/install.tex?rev=12855&r1=12854&r2=12855&view=diff
==============================================================================
--- 1.3/docs/latex/install.tex (original)
+++ 1.3/docs/latex/install.tex Fri Jun 3 18:34:53 2011
@@ -14,7 +14,6 @@
\begin{description}
\item[\href{http://python.org/}{Python}\index{Python}:] Version 2.5 or
higher.
\item[\href{http://numpy.scipy.org/}{NumPy}\index{NumPy}:] Version 1.0.4
or higher. This package is used for most of the numerical calculations
within relax.
-\item[\href{http://starship.python.net/~hinsen/ScientificPython/}{ScientificPython}\index{ScientificPython}:]
Version 2.8 or higher. This is an optional package. relax has an inbuilt
PDB reader. However, due to the diversity of the PDB with many files not
conforming to the standard, this reader many not function for all files.
An
alternative is to use the more advanced PDB reader that comes with
ScientificPython.
\item[\href{http://www.scipy.org/}{SciPy}\index{SciPy}:] Version 0.7.1
or higher. This package is also optional. It is required only for the
frame order theory analyses.
\item[\href{http://www.scipy.org/}{wxPython}\index{wxPython}:] Version
2.8 or higher. This package is optional. It is required for the operation
of the graphical user interface (GUI)\index{GUI}.
\end{description}
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Sébastien Morin, Ph.D.
Postdoctoral Fellow, S. Grzesiek NMR Laboratory
Department of Structural Biology
Biozentrum, Universität Basel
Klingelbergstrasse 70
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Switzerland
Re: r12855 - /1.3/docs/latex/install.tex