According to the suggestion I have installed the f2c package in my machine.I am
unable to find the g2c package. I have included the f2c library by - export
LIBS=-lmopac -lf2c. But when I running ./configure --with-qmmm-mopac
--disable-float , an error is comming C compiler cannot create executable. The
config.log file shows the following section-
onfigure:3413: checking for C compiler default output file name
configure:3440: cc -I/usr/local/include -DUSE_MOPAC -L/usr/local/lib conftest.c
-lmopac -lf2c 5
/usr/lib/gcc/i486-linux-gnu/4.3.3/../../../../lib/libf2c.so: undefined
reference to `MAIN__'
collect2: ld returned 1 exit status
configure:3443: $? = 1
configure:3481: result:
configure: failed program was:
| /* confdefs.h. */
Please suggest a way out.Subarna Thakur
From: Gerrit Groenhof ggro...@gwdg.de
To: gmx-users@gromacs.org
Sent: Sat, 12 June, 2010 3:36:54 PM
Subject: Re: Subject: [gmx-users] error compiling mopac and gromacs
Depending on how your libmopac.a was biuld, you need the to include the f2c or
g2c library as well.
Gerrit
Message: 5
Date: Sat, 12 Jun 2010 14:33:02 +0530 (IST)
From: subarna thakur thakur.suba...@yahoo.co.in
Subject: [gmx-users] error compiling mopac and gromacs
To: gmx-users@gromacs.org
Message-ID: 371899.78968...@web95516.mail.in.yahoo.com
Content-Type: text/plain; charset=iso-8859-1
Hi
I am trying to link mopac with gromacs in a 32 bit linux machine. I have
downloaded the libmopac.a file and kept it under /usr/local/lib. I installed
fftw with double precision and then I set the enviornmental variables for
linking mopac and gromacs
export LDFLAGS=-L/usr/local/lib -Wl,--wrap,__ctype_b
export CPPFLAGS=/usr/local/include -DUSE_MOPAC
export LIBS=lmopac
then I have ran the ./configure --with-qmmm-mopac --disable-float.It seems to
run ok.Then I used the make command but an error is comming as follows-
/usr/local/lib/libmopac.a(lread.o)(.text+0x160): In function `e_rsle':
: undefined reference to `__wrap___ctype_b'
/usr/local/lib/libmopac.a(lread.o)(.text+0x21f): In function `e_rsle':
: undefined reference to `__wrap___ctype_b'
/usr/local/lib/libmopac.a(lread.o)(.text+0x296): In function `e_rsle':
: undefined reference to `__wrap___ctype_b'
/usr/local/lib/libmopac.a(lread.o)(.text+0x2d0): In function `e_rsle':
: undefined reference to `__wrap___ctype_b'
/usr/local/lib/libmopac.a(lread.o)(.text+0x8b2): In function `e_rsle':
: undefined reference to `__wrap___ctype_b'
/usr/local/lib/libmopac.a(lread.o)(.text+0xb05): more undefined references to
`__wrap___ctype_b' follow
collect2: ld returned 1 exit status
make[3]: *** [grompp] Error 1
make[3]: Leaving directory `/usr/gromacs-4.0.3/src/kernel'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/usr/gromacs-4.0.3/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/usr/gromacs-4.0.3/src'
make: *** [all-recursive] Error 1
Please suggest where I have gone wrong.
Subarna Thakur
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Gerrit Groenhof
MPI biophysical chemistry
Goettingen
Germany
http://wwwuser.gwdg.de/~ggroenh/
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