Laercio Pol Fachin wrote:
Dear GMX users:
I'm facing problems installing Gromacs 4.0.2 with mopac7 QM/MM.
I have downloaded MOPAC7 for SourceForge, as linked in previous mails,
and installed it. After, MPICH and fftw 3.0.1. So: "./configure
--enable-mpi --with-qmmm-mopac" runs O.K., but, during "make":
(some shell indications in Portuguese):
---
make[3]: Entrando no diretório `/usr/local/gromacs-4.0.2/src/mdlib'
/bin/sh ../../libtool --tag=CC --mode=compile mpicc -DHAVE_CONFIG_H
-I. -I../../src -I/usr/include/libxml2 -I../../include
-DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O3 -fomit-frame-pointer
-finline-functions -Wall-Wno-unused -funroll-all-loops -MT qm_mopac.lo
-MD -MP -MF .deps/qm_mopac.Tpo -c -o qm_mopac.lo qm_mopac.c
mpicc -DHAVE_CONFIG_H -I. -I../../src -I/usr/include/libxml2
-I../../include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O3
-fomit-frame-pointer -finline-functions -Wall -Wno-unused
-funroll-all-loops -MT qm_mopac.lo -MD -MP -MF .deps/qm_mopac.Tpo -c
qm_mopac.c -o qm_mopac.o
qm_mopac.c:52:17: error: nsb.h: Arquivo ou diretório não encontrado
My Portuguese is not so hot, but I figure this error translates as
"nsb.h: File or directory not found". That means what it says. GROMACS
version 3.3.x had this file, version 4.x doesn't. I had a look at
qm_mopac.c and I don't think it was using any of the contents of nsb.h,
so you should be safe to remove this line from qm_mopac.c. Do let us
know how you get on.
Mark
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