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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