Modeller 9.18 module on CentOS 7

I’m back. I’m running a little low on inspiration lately, and it’s summertime here, so please be patient if you’re looking for more Yellow Earth stuff. This is about installing Modeller, a Program for Comparative Protein Structure Modeling by Satisfaction of Spatial Restraints. Yes, I also don’t understand the capital letters, but the name is catchy. I download the Linux (64-bit x86_64 RPM) as a first trial, and I try to install it on a specific location:

rpm -Uhv --prefix=/usr/local/modeller-9.18/ \
modeller-9.18-1.x86_64.rpm

Of course it doesn’t work. Why should somebody test that everything works? The error reads:

error: package modeller is not relocatable

I then go to the installation notes, get the source code an try to compile it, as described on “for generic Unix”, on our preferred software location, /usr/local/. So far so good. Note that you need to get a license (a word basically) and do something with the code before being able to run it. Once I can run mod9.18, I build my module, that looks like this:

#%Module1.0###################################
##
## modules modeller-9.18
##
## modulefiles/modeller-9.18 FOCUS 1.0.0 module
##
proc ModulesHelp { } {
 global version modroot
 puts stderr "modeller-9.18 - sets the Environment for modeller"
}

module-whatis "Sets the environment for modeller 9.18"

# for Tcl script use only
set topdir /usr/local/modeller
set version 9.18
set sys linux86

setenv MODELLER_V "9.18"

#prepend-path PATH $topdir/include
prepend-path PATH $topdir/bin
prepend-path MANPATH $topdir/man
prepend-path LD_LIBRARY_PATH $topdir/lib/x86_64-intel8

Note the special library path. Then I test, of course, as good as I can. And now, to distribute it. Victory! Programmers=1, Darkcode=0  😀

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About bitsanddragons

A traveller, an IT professional and a casual writer
This entry was posted in bits, centos, linux, slurm. Bookmark the permalink.

One Response to Modeller 9.18 module on CentOS 7

  1. Pingback: Install modeller with conda on Cent OS 7 | Bits and Dragons

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