[Ifeffit] Ifeffit 1.0072 released

Matt Newville newville at cars.uchicago.edu
Thu Jun 27 14:38:21 CDT 2002


Hi Everyone,

I figured that it had been long enough for version 1.0071, so
posted version 1.0072 today.

This version has several small feature improvements and bug
fixes.  There is also a fairly substantial changes to the
'configure ; make ' on Unix, so that the perl and python
extensions are no longer built during this process, but have to
be built after installation of the library, with the 'normal
method' for these languages:
  cd wrappers/python
  python setup.py install
  cd wrappers/perl
  perl Makefile.PL ; make install

This change greatly simplifies the work of the configuration
script and is much more reliable.

The other major change is that the internals of macro handling
were largely rewritten so that nested macros work correctly in
all cases (including on windows).  Related to that, macros that
are run by feffit() and minimize() at each iteration of the
fitting loop now run correctly as well.

I have a Windows dll ready, but am having difficulty making
standalone executables from the ravelware perl scripts.
Hopefully that will get worked out soon so that a new Windows
installer with the latest athena, artemis, and tkatoms, as well
as gifeffit and samxas will be possible.

I've also started (but haven't gotten very far on) an annoted
collection of ifeffit scripts, intended to be something of a
'how-to' or 'cookbook' for ifeffit commands that will
complement the documents and FAQ.  Any suggestions or comments
on this would be very welcome.

Finally, I am really expecting that 1.0072 represents a nearly
complete version of Ifeffit 1.0.  I believe the XAFS analysis
functionality is more-or-less complete at this point.  I'm
willing to fix bugs, and add small features, but would like to
try to leave this version stable and to start working (even if
slowly!) on much more significant changes that would eventually
become Ifeffit 2.

Thanks,

--Matt







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