[ghemical-devel] new releases

[Tommi Hassinen]

Hello,

today I (finally) made releases of mopac7-1.00 and libghemical-1.90
packages, as well as 1.02 1.51 and 1.90 versions of ghemical. Here are the
versions and dependencies:

ghemical-1.02 is a MANY_PROJECTS_BRANCH release ; bugfixes to 1.0x series
	-> needs mopac7-1.00
	-> needs openbabel-1.100.2
	-> optionally needs mpqc

ghemical-1.51 is a BEFORE_BONOBO_BRANCH release ; this is old in a sense
that it is still a gnome-1-app but new in a sense that it depends on the
new libraries (this version follows the old 1.50alpha version).
	-> needs mopac7-1.00
	-> needs openbabel-1.100.2
	-> needs libghemical-1.90
	-> optionally needs mpqc

ghemical-1.90 is the latest and greatest HEAD release ; a gtk2 app.
	-> needs libghemical-1.90
	-> optionally needs mopac7-1.00
	-> optionally needs openbabel-1.100.2
	-> optionally needs mpqc

These new versions are results of many year's work, so I expect there
might be surprises/bugs somewhere. But I think the new way how the stuff
is organized is a good one, so the problems get soon solved (I hope).

Here is a list of known bugs/problems:

- the 1.02 version now contains the "ghemical-gms" features built in (see
http://www.uiowa.edu/~ghemical/) but it doesn't seem to work right yet. I
hope we can get it fixed soon and release an improved 1.03.

- I haven't had time to test this properly yet, but I remember that there
are problems with MPQC when libghemical is used as a shared library.

- the "bonobo-server" option of ghemical-1.90 is broken now, but it should
be easily fixed (once I have time) and I intend to do so.

- g++ spits out many warning during compilation, because the obsolete way
of using the stringstream classes is not yet fixed. This will take some
time because every change must be made individually...

- I haven't had time to update the user documentation so that's the same
as it has been earlier.

I'm leaving to summer holidays after 2 weeks now, so I have still some
time to make fixes if you find severe problems.

Happy testing sessions,
and thanks to all who have
helped with the new stuff,

	Tommi