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Monday, June 18, 2007

Gabedit, DRAWxtl and libint are on their way into Debian

This is an information for all those users and developers, which are interested in chemistry and computational chemistry packages in Debian: As part of the debichem project at Alioth, I recently added Gabedit, DRAWxtl and libint to our project SVN repository. All packages are in a fairly good state for an upload into the Debian NEW queue. Today we (Michael Banck and me) began with gabedit. The other packages will follow soon (I swear).

Also thanks to Abdul-Rahman Allouche, Larry Finger (and the other DRAWxtl authors) and Edward Valeev for these software packages and their response to my mails :)

Our SVN repository further contains Debian packaging files for the MOLDEN software package. Unfortunately we are currently not allowed to ship the MOLDEN source or binaries within Debian. However, you can use our SVN repository to build the package for yourself. Just install the svn-buildpackage package, download the MOLDEN source tarball and our SVN (wnpp/molden/), configure svn-buildpackage for this setup (a complete how-to will follow soon) and then build the package by running svn-buildpackage.

If you are interested in our work and/or if you want to help, subscribe to our mailing list and meet us there.