# patch to make rungms wrapper script for GAMESS work on our # gentoo install --- gamess/rungms 2005-07-23 20:33:54.000000000 +0000 +++ gamess-gentoo/rungms 2005-09-04 17:01:19.000000000 +0000 @@ -39,7 +39,7 @@ # its own list of further requirements. # set TARGET=sockets -set SCR=/scr/$USER +set SCR=./ # set JOB=$1 # name of the input file xxx.inp, give only the xxx part set VERNO=$2 # revision number of the executable created by 'lked' step @@ -90,11 +90,11 @@ # is therefore most suitable to be stored only once, on the file server. # set echo -setenv ERICFMT ~mike/gamess/ericfmt.dat +setenv ERICFMT /usr/share/gamess/ericfmt/ericfmt.dat setenv EXTBAS /dev/null -setenv IRCDATA ~/scr/$JOB.irc +setenv IRCDATA $SCR/$JOB.irc setenv INPUT $SCR/$JOB.F05 -setenv PUNCH ~/scr/$JOB.dat +setenv PUNCH $SCR/$JOB.dat setenv AOINTS $SCR/$JOB.F08 setenv MOINTS $SCR/$JOB.F09 setenv DICTNRY $SCR/$JOB.F10 @@ -124,8 +124,8 @@ setenv SOINTY $SCR/$JOB.F32 setenv SOINTZ $SCR/$JOB.F33 setenv SORESC $SCR/$JOB.F34 -setenv SIMEN ~/scr/$JOB.simen -setenv SIMCOR ~/scr/$JOB.simcor +setenv SIMEN $SCR/$JOB.simen +setenv SIMCOR $SCR/$JOB.simcor setenv GCILIST $SCR/$JOB.F37 setenv HESSIAN $SCR/$JOB.F38 setenv SOCCDAT $SCR/$JOB.F40 @@ -266,7 +266,7 @@ if ($os == HP-UX) set GMSPATH=/zr/mike/gamess if ($os == IRIX) set GMSPATH=/home/hbar4/people/schmidt/gamess if ($os == IRIX64) set GMSPATH=/home/hbar4/people/schmidt/gamess - if ($os == Linux) set GMSPATH=/cu/mike/gamess + if ($os == Linux) set GMSPATH=/usr/bin if ($os == OSF1) set GMSPATH=/au/mike/gamess if ($os == SunOS) set GMSPATH=/hf/mike/gamess # special compilation for my old Sun (uname also replies SunOS)