VMD-L Mailing List

From: Cosseddu, Salvatore (S.M.Cosseddu_at_warwick.ac.uk)
Date: Thu May 12 2011 - 18:48:11 CDT

Many thanks both of you for the kindness and the prompt reply.

First of all many thanks for all those tools you provide.
I manage to compile the plugins.
What I would like to use is the fortran interface to molfile.
I manage to compile it, but, once I try to run the tester it returns

#$ ./tester
./tester: error while loading shared libraries: libtcl8.5.so: cannot open shared object file: No such file or directory

But I'm sure I compiled linking the tcl library from the right path. Any idea?

Salvatore Cosseddu
Centre for Scientific Computing
School of Engineering
University of Warwick
Coventry CV4 7AL
United Kingdom

email: S.M.Cosseddu_at_warwick.ac.uk

-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu on behalf of Axel Kohlmeyer
Sent: Thu 12/05/2011 21:56
To: Cosseddu, Salvatore
Cc: vmd-l_at_ks.uiuc.edu
Subject: Re: vmd-l: Compiling plugins without netcdf support returns an error.
 
On Thu, May 12, 2011 at 4:12 PM, Cosseddu, Salvatore
<S.M.Cosseddu_at_warwick.ac.uk> wrote:
> Sorry, is it possible that there's a small bug in some vmd 1.9 plugin
> Makefiles?
>
> According to
> http://www.ks.uiuc.edu/Research/vmd/plugins/doxygen/compiling.html and to
> the general Makefile, if NETCDFLIB and NETCDFINC are not declared, vmd could
> be compiled without netcdf. But catdcd requires the library to be linked to
> compile as you can see from this error. The compilation aborts.

not declaring is not sufficient to disable it.
you have to define those variables to be empty.

>
> #$ make LINUXAMD64 TCLINC=$TCLINC TCLLIB=$TCLLIB

try: make LINUXAMD64 TCLINC=$TCLINC TCLLIB=$TCLLIB NETCDFLDFLAGS=""

>> src/sgsmooth.C: In function 'float_vect lsqr_fprime(const float_vect&,
>> int)':
>> src/sgsmooth.C:545: warning: comparison between signed and unsigned
>> integer expressions
>> src/sgsmooth.C: In function 'float_vect sg_derivative(const float_vect&,
>> int, int, double)':
>> src/sgsmooth.C:567: warning: comparison between signed and unsigned
>> integer expressions
>> src/sgsmooth.C:600: warning: comparison between signed and unsigned
>> integer expressions
>> /usr/bin/ld: cannot find -lnetcdf
>> collect2: ld returned 1 exit status
>> make[2]: *** [../compile/lib_LINUXAMD64/bin/catdcd4.0/catdcd] Errore 1
>> make[1]: *** [bins] Errore 1
>> make: *** [LINUXAMD64] Errore 2
>
> Best regards
> Salvatore Cosseddu
>
> Salvatore Cosseddu
> Centre for Scientific Computing and
> School of Engineering
> University of Warwick
> Coventry CV4 7AL
> United Kingdom
>
> email: S.M.Cosseddu_at_warwick.ac.uk
>
> Ps. I'm sorry if it is a repost but I received a failure notice.

you'll always receive failure notices due to some people
not unsubscribing from mailing lists when they move on.
you have to check carefully where the failure notice is coming from.

axel. 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.