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Fwd: about autodocktools package

I forgot to focus that the problem of installing autodocktools on
amd64 lenny seems to be restricted to dependency problems for


whereby mgltools-molkit is not installed. Perhaps someone knows how to
deal with the problem of mgltools-dejavu.

---------- Forwarded message ----------
From: Francesco Pietra <chiendarret@gmail.com>
Date: Wed, May 13, 2009 at 1:47 AM
Subject: about autodocktools package
To: debian-science <debian-science@lists.debian.org>, amd64 Debian

Package "autodocktools" for amd6a is only available for sid. As an aid
to autodock (which is on the amd64 lenny repositories) I tried to
install it by downloading packages for sid and using dpkg. From
dependency to dependency I  met obstacles for package mgtools-molkit,
whick requires *.pybabel, *.dejavu, *.bhtree, *.sff (* = mgltools).
Downloading these, dpkg found unsurmountable dependency problems.

Should anyone have succeeded with lenny, please help.

People doing computational chemistry can't keep updated with the
latest amd64 because fundamental, non-graphical, number-crunching
parallelized codes would not run. Even if I tried the installation of
autodocktools on a secondary amd 64 machines where graphics is
available, also the "fundamental" parallelized codes are installed to
carry out preliminary setting of files for the main machine. So, we
are left without the gui for autodock.

This is a recurrent problem. I believe that for science it would be
better to provide quasi-static compilations (as some developers do,
see for example Chimera as one of the most successful examples.)

Unless help comes, I am in the situation of a couple of years ago,
when I was at etch and the above stuff was for lenny and i had to
renounce to autodock. Now, I I have again to renounce to autodock.

francesco pietra

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