Re: [AMBER] AmberTools install

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 11 Apr 2011 22:25:07 -0700

If you're running RedHat, it says:

On RedHat OS's install the XFree86-devel package

Also, it's likely that the GNU compiler suite is too old to build Amber and
AmberTools. Try these commands:

gcc --version

If it returns a version that is < 4.x, then try

which gcc4

If it turns out that there is a gcc4 present, then you'll have to replace
all instances of gcc,g++,gfortran with gcc4,g++4,gfortran4. You can do this
by the command

sed -i -e "s/gcc/gcc4/g" -e "s/g++/g++4/g" -e "s/gfortran/gfortran4/g"
$AMBERHOME/AmberTools/src/configure

If you don't have gcc4 installed on you system, you'll have to install GCC 4
(internet forums can help here), then follow the above advice.

HTH,
Jason

On Mon, Apr 11, 2011 at 9:50 PM, Michael Forrester <mf1.iastate.edu> wrote:

> To whom it may concern,
>
> I am attempting to install Amber Tools onto a linux RedHat workstation v. 6
> and when i go to do the ./configure gnu it gives what is shown below. I
> think it has something to do with the X11 libraries but none of the forums
> seem to be able to give me any fixes for this problem. Any input you might
> have would be greatly appriciated.
>
> Thanks,
> Michael Forrester
>
>
> Could not find the X11 libraries; you may need to edit config.h
> to set the XHOME and XLIBS variables.
> Warning: the X11 libraries are not in the usual location !
> To search for them try the command: locate libXt
> On new Fedora OS's install the libXt-devel libXext-devel
> libX11-devel libICE-devel libSM-devel packages.
> On old Fedora OS's install the xorg-x11-devel package.
> On RedHat OS's install the XFree86-devel package.
> On Ubuntu OS's install the xorg-dev package.
> For the moment Amber will be configured not to build XLEaP.
>
> Obtaining the gnu suite version:
> gcc -v
> The version is
> ./configure: line 451: [: too many arguments
>
> Testing the gcc compiler:
> gcc -DUSE_AMBER_C9XCOMPLEX -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE
> -o testp testp.c
> ./configure: line 966: gcc: command not found
> ./configure: line 967: ./testp: No such file or directory
> Error: Unable to compile a C program using gcc -DUSE_AMBER_C9XCOMPLEX
> -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE
> Please check your compiler settings or configure flags.
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Apr 11 2011 - 22:30:03 PDT
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