[ghemical-devel] libghemical

Tommi Hassinen thassine@messi.uku.fi
Tue, 21 Jan 2003 09:27:18 +0200 (WET)


Hi all.

Starting from yesterday, the CVS head of ghemical at bioinformatics.org
CVS has been a bit broken; if you wish to get the latest non-broken
version please use a tag BEFORE_LIBGHEMICAL.

As you might guess, I started to split the package in two parts:

	libghemical:
	^^^^^^^^^^^^
		a library that contains all of the functional stuff
		(the QM and MM calculations) except file operations
		(that are left out so that OpenBabel can be kept a
		separate library for those tasks); will remain GPL.
						   ^^^^^^^^^^^^^^^^
	ghemical:
	^^^^^^^^^
		the gnome application that from now on works as a client
		of the libghemical library; will remain GPL.
					    ^^^^^^^^^^^^^^^^
So the motivation for these changes is only to simplify things and to make
the core stuff (now contained in libghemical) better accessible to other
programs. The new libghemical module is already at bioinformatics.org cvs;
to get it please use:

	cvs checkout libghemical

At the moment things still are badly mixed up and broken but I hope to
make things compile again soon. Now libghemical compiles but does not yet
install the files properly, and ghemical still lacks many files (I'll add
them once the filenames are stabilized again (today I hope)).

Regards,

	Tommi