Running program from local install? Post: 302885732

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Top Forums UNIX for Dummies Questions & Answers Running program from local install? Post 302885732 by athina on Tuesday 28th of January 2014 06:44:43 AM

01-28-2014

Registered User

I'm sorry about that.

I did exactly what bartus11 suggested, specifying the full path for the local install, however when I ran a simulation the program didn't run from the local install but from the main one.

However, in gromacs I need two things: the executable tools and the directory that contains all the forcefield files. These two are in different directories in the local install. I think I should add two lines in the profile; one which will point to all the executables and another one which will point to the forcefield files and so on.

I will post an update when I try it.

[Or I could also try this:

4.11. Getting access to GROMACS after installation

GROMACS installs the script GMXRC in the bin subdirectory of the installation directory (e.g. /usr/local/gromacs/bin/GMXRC), which you should source from your shell:

$ source your-installation-prefix-here/bin/GMXRC

It will detect what kind of shell you are running and set up your environment for using GROMACS. You may wish to arrange for your login scripts to do this automatically; please search the web for instructions on how to do this for your shell.

Many of the GROMACS programs rely on data installed in our share/gromacs directory. By default, the programs will use the environment variables set in the GMXRC script, and if this is not available they will try to guess the path based on their own location. This usually works well unless you change the names of directories inside the install tree. If you still need to do that, you might want to recompile with the new install location properly set, or edit the GMXRC script.

(I'm only writing this down just in case anyone else is having the same problem)]

Kind regards
Athina

athina

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LEARN ABOUT DEBIAN

dh_di_numbers

DH_DI_NUMBERS(1)						     Debhelper							  DH_DI_NUMBERS(1)

NAME

       dh_di_numbers - install numbered scripts into package build directories

SYNOPSIS

       dh_di_numbers [debhelper options] [dir [...] dest]

DESCRIPTION

       dh_di_numbers is a debhelper program that installs directories of numbered scripts into package build directories.

       Within each directory, there should be a "_numbers" file in which each line contains at least two space-separated fields. The first field
       in each line is a two-digit number, which will be prefixed to the entry name to provide ordering within the directory; the second is the
       entry name, which must correspond to a file or directory alongside the "_numbers" file; and the third field, if present, is another two-
       digit number which identifies another entry with the same entry name to which this entry should be a symlink.

       Any additional directory names specified as parameters will be installed in the package build directory of the first package dh_di_numbers
       is told to act on. By default, this is the first binary package in debian/control, but if you use -p, -i, or -a flags, it will be the first
       package specified by those flags.

FILES

       debian/package.di-numbers
	   List the directories to install into each package and the directory they should be installed to. The format is a set of lines, where
	   each line lists a directory or directories to install, and at the end of the line tells the directory they should be installed in. The
	   name of the directories to install should be given relative to the current directory, while the installation directory is given
	   relative to the package build directory. You may use wildcards in the names of the files to install (in v3 mode and above).

OPTIONS

       dir [...] dest
	   Lists directories to install and where to install them to. The files will be installed into the first package dh_di_numbers acts on.

SEE ALSO

       debhelper(7)

       This program is a part of dh-di.

AUTHOR

       Colin Watson <cjwatson@debian.org>

3								    2009-09-16							  DH_DI_NUMBERS(1)

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