[gmx-users] Gromacs 4.0.3 Mopac7 install

[Felipe Villanelo]

Hi everyone:

I'm trying of install gromacs with mopac7 support, but it give a classical
gromacs-mopac error:

../mdlib/.libs/libmd.so: undefined reference to `__ctype_b'
collect2: ld returned 1 exit status
make[3]: *** [grompp] Error 1
make[3]: Leaving directory `/usr/local/bio/gromacs-4.0.3/src/kernel'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/usr/local/bio/gromacs-4.0.3/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/usr/local/bio/gromacs-4.0.3/src'
make: *** [all-recursive] Error 1

This was the command I used:

./configure --with-qmmm-mopac --enable-shared

with:
LIBS = -lmopac
LDFLAGS = -L/usr/local/lib/

In /usr/local/lib is the libmopac.a with the fftw3*
The libmopac.a was downloaded already compiled from the web (I don't know
how to compile from mopac7 source)

The f2c package is installed.
Without the qmmm option, gromacs compile without problem

I already read similars topics in the discusion list, and I followed all the
solutions proposals, but always give the same error.

I anyone can helpme I would thanx forever


Felipe Villanelo Lizana
Bioquímico
Laboratorio de Biología Estructural y Molecular
Universidad de Chile
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