Date: Mon, 28 Jul 2014 14:22:16 +0000 (UTC) From: Adam Weinberger <adamw@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r363159 - in head/biology: babel babel/files p5-AcePerl/files povchem/files psi88/files Message-ID: <201407281422.s6SEMGKN087671@svn.freebsd.org>
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Author: adamw Date: Mon Jul 28 14:22:16 2014 New Revision: 363159 URL: http://svnweb.freebsd.org/changeset/ports/363159 QAT: https://qat.redports.org/buildarchive/r363159/ Log: Rename biology/ patch-xy patches to reflect the files they modify. Added: head/biology/babel/files/patch-menus.c - copied unchanged from r363137, head/biology/babel/files/patch-ab head/biology/p5-AcePerl/files/patch-Makefile.PL - copied unchanged from r363137, head/biology/p5-AcePerl/files/patch-ac head/biology/p5-AcePerl/files/patch-acelib_memsubs.c - copied unchanged from r363137, head/biology/p5-AcePerl/files/patch-ab head/biology/p5-AcePerl/files/patch-acelib_wh_mydirent.h - copied, changed from r363137, head/biology/p5-AcePerl/files/patch-aa head/biology/p5-AcePerl/files/patch-acelib_wh_mystdlib.h - copied, changed from r363137, head/biology/p5-AcePerl/files/patch-aa head/biology/povchem/files/patch-povchem.c - copied unchanged from r363137, head/biology/povchem/files/patch-ab head/biology/povchem/files/patch-povchem.cfg - copied unchanged from r363137, head/biology/povchem/files/patch-ac head/biology/psi88/files/patch-src_makefile - copied unchanged from r363137, head/biology/psi88/files/patch-aa head/biology/psi88/files/patch-unix_rpsi1 - copied unchanged from r363137, head/biology/psi88/files/patch-ba head/biology/psi88/files/patch-unix_rpsi2 - copied unchanged from r363137, head/biology/psi88/files/patch-bb Deleted: head/biology/babel/files/patch-ab head/biology/p5-AcePerl/files/patch-aa head/biology/p5-AcePerl/files/patch-ab head/biology/p5-AcePerl/files/patch-ac head/biology/povchem/files/patch-ab head/biology/povchem/files/patch-ac head/biology/psi88/files/patch-aa head/biology/psi88/files/patch-ba head/biology/psi88/files/patch-bb Modified: head/biology/babel/Makefile Modified: head/biology/babel/Makefile ============================================================================== --- head/biology/babel/Makefile Mon Jul 28 14:17:02 2014 (r363158) +++ head/biology/babel/Makefile Mon Jul 28 14:22:16 2014 (r363159) @@ -7,13 +7,13 @@ PORTREVISION= 4 CATEGORIES= biology converters MASTER_SITES= http://smog.com/chem/babel/files/ \ http://www.ccl.net/cca/software/UNIX/babel/ -EXTRACT_SUFX= .tar.Z MAINTAINER= ports@FreeBSD.org COMMENT= Converts among various molecular file formats CONFLICTS_INSTALL= openbabel-* +USES= tar:Z MAKE_ARGS= CC="${CC}" CFLAGS="${CFLAGS}" PLIST_FILES+= bin/babel libexec/babel Copied: head/biology/babel/files/patch-menus.c (from r363137, head/biology/babel/files/patch-ab) ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/biology/babel/files/patch-menus.c Mon Jul 28 14:22:16 2014 (r363159, copy of r363137, head/biology/babel/files/patch-ab) @@ -0,0 +1,40 @@ + +$FreeBSD$ + +--- menus.c.orig Tue Jan 21 16:52:36 1997 ++++ menus.c Sun Nov 18 16:43:32 2001 +@@ -63,9 +63,9 @@ + } + } + printf("Input file name : "); +- gets(InfileName); ++ fgets(InfileName, BUFF_SIZE, stdin); + printf("Keywords : "); +- gets(InputKeywords); ++ fgets(InputKeywords, BUFF_SIZE, stdin); + + if (strlen(InputKeywords) < 1) + strcpy(InputKeywords,"KEYWORDS GO HERE"); +@@ -108,11 +108,11 @@ + } + } + printf("Output file name : "); +- gets(OutfileName); ++ fgets(OutfileName, BUFF_SIZE, stdin); + if (has_keywords) + { + printf("Keywords : "); +- gets(OutputKeywords); ++ fgets(OutputKeywords, BUFF_SIZE, stdin); + if (strlen(OutputKeywords) < 1) + strcpy(OutputKeywords,"KEYWORDS GO HERE"); + } +@@ -167,7 +167,7 @@ + while (done == FALSE) + { + printf("Choice : "); +- gets(choice_string); ++ fgets(choice_string, sizeof(choice_string), stdin); + for (i = 0; i < (int) strlen(choice_string); i++) + { + if (!isdigit(choice_string[i])) Copied: head/biology/p5-AcePerl/files/patch-Makefile.PL (from r363137, head/biology/p5-AcePerl/files/patch-ac) ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/biology/p5-AcePerl/files/patch-Makefile.PL Mon Jul 28 14:22:16 2014 (r363159, copy of r363137, head/biology/p5-AcePerl/files/patch-ac) @@ -0,0 +1,20 @@ +--- Makefile.PL.orig Fri Sep 28 16:13:04 2001 ++++ Makefile.PL Fri Jan 25 14:11:26 2002 +@@ -2,7 +2,7 @@ + use ExtUtils::MakeMaker qw(prompt WriteMakefile); + use File::Path; + +-my $choice; ++my $choice = 3; + while (!$choice) { + $reply = prompt( + "\nWhat do you want to build?\n\n" . +@@ -22,8 +22,6 @@ + push @extlib,'Freesubs' if $choice >= 2; + push @extlib,'RPC' if $choice >= 3; + +-print "\n"; +-setup_sitedefs() if prompt("Do you want to install Ace::Browser? ","n") =~ /[yY]/; + + my $headers = "./ace/wh"; + WriteMakefile( Copied: head/biology/p5-AcePerl/files/patch-acelib_memsubs.c (from r363137, head/biology/p5-AcePerl/files/patch-ab) ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/biology/p5-AcePerl/files/patch-acelib_memsubs.c Mon Jul 28 14:22:16 2014 (r363159, copy of r363137, head/biology/p5-AcePerl/files/patch-ab) @@ -0,0 +1,11 @@ +--- acelib/memsubs.c.orig Mon Jan 11 02:01:29 1999 ++++ acelib/memsubs.c Thu Jul 27 17:18:45 2000 +@@ -21,7 +21,7 @@ + #if defined(NEXT) || defined(HP) || defined(MACINTOSH) + extern void* malloc(mysize_t size) ; + #elif !defined(WIN32) && !defined(DARWIN) +-#include <malloc.h> /* normal machines */ ++#include <stdlib.h> /* normal machines */ + #endif + + /********** primary type definition **************/ Copied and modified: head/biology/p5-AcePerl/files/patch-acelib_wh_mydirent.h (from r363137, head/biology/p5-AcePerl/files/patch-aa) ============================================================================== --- head/biology/p5-AcePerl/files/patch-aa Mon Jul 28 12:41:48 2014 (r363137, copy source) +++ head/biology/p5-AcePerl/files/patch-acelib_wh_mydirent.h Mon Jul 28 14:22:16 2014 (r363159) @@ -1,15 +1,3 @@ ---- acelib/wh/mystdlib.h.orig Mon Jul 16 23:04:45 2001 -+++ acelib/wh/mystdlib.h Mon Aug 13 12:42:25 2001 -@@ -161,7 +161,8 @@ - #endif - - #if defined(POSIX) || defined(LINUX) || defined(SOLARIS) || defined(SGI) || \ -- defined(HP) || defined(WIN32) || defined(INTEL_SOLARIS) -+ defined(HP) || defined(WIN32) || defined(INTEL_SOLARIS) || \ -+ defined(FREEBSD) - - #ifdef WIN32 - #include <mbctype.h> --- acelib/wh/mydirent.h.orig Mon Jul 16 23:04:45 2001 +++ acelib/wh/mydirent.h Mon Aug 13 12:41:59 2001 @@ -55,7 +55,7 @@ Copied and modified: head/biology/p5-AcePerl/files/patch-acelib_wh_mystdlib.h (from r363137, head/biology/p5-AcePerl/files/patch-aa) ============================================================================== --- head/biology/p5-AcePerl/files/patch-aa Mon Jul 28 12:41:48 2014 (r363137, copy source) +++ head/biology/p5-AcePerl/files/patch-acelib_wh_mystdlib.h Mon Jul 28 14:22:16 2014 (r363159) @@ -10,14 +10,3 @@ #ifdef WIN32 #include <mbctype.h> ---- acelib/wh/mydirent.h.orig Mon Jul 16 23:04:45 2001 -+++ acelib/wh/mydirent.h Mon Aug 13 12:41:59 2001 -@@ -55,7 +55,7 @@ - extern char *getwd(char *pathname) ; - #endif /* HP || SOLARIS || WIN32 */ - --#if defined (POSIX) || defined(SUN) || defined(SUNSVR4) || defined(SOLARIS) || defined(DEC) || defined(ALPHA) || defined(SGI) || defined(LINUX) || defined(HP) || defined (INTEL_SOLARIS) -+#if defined (POSIX) || defined(SUN) || defined(SUNSVR4) || defined(SOLARIS) || defined(DEC) || defined(ALPHA) || defined(SGI) || defined(LINUX) || defined(HP) || defined (INTEL_SOLARIS) || defined (FREEBSD) - #include <dirent.h> - typedef struct dirent MYDIRENT ; - #endif Copied: head/biology/povchem/files/patch-povchem.c (from r363137, head/biology/povchem/files/patch-ab) ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/biology/povchem/files/patch-povchem.c Mon Jul 28 14:22:16 2014 (r363159, copy of r363137, head/biology/povchem/files/patch-ab) @@ -0,0 +1,188 @@ + +$FreeBSD$ + +--- povchem.c.orig Fri Jul 11 11:49:07 2003 ++++ povchem.c Fri Jul 11 11:59:23 2003 +@@ -482,7 +482,7 @@ + */ + + if (*fileName==NULL) { +- New_String(fileName,"povchem.cfg"); ++ New_String(fileName,SYSCONFDIR "/povchem.cfg"); + if ((config=fopen(*fileName,"r"))==NULL) { + puts("Can't read the configuration file \"povchem.cfg\"!"); + perror("Reason"); +@@ -731,7 +731,7 @@ + + no_config: + +- if (!PERIODIC_TABLE_FILE) New_String(&PERIODIC_TABLE_FILE,"periodic.tab"); ++ if (!PERIODIC_TABLE_FILE) New_String(&PERIODIC_TABLE_FILE,DATADIR "/periodic.tab"); + if (!FINISH) New_String(&FINISH,"Plastic"); + if (!FINISH_DECLARATION) New_String(&FINISH_DECLARATION,"\ + finish {\n\ +@@ -742,7 +742,7 @@ + phong 0.3\n\ + phong_size 50\n\ + specular 0.0\n\ +- }\n\n"); ++ };\n\n"); + + if (POVRAY && (!POV_OPTIONS || !POV_WIDTH) ) { + puts("Warning: to run POV-Ray from PovChem, you must define *all* the"); +@@ -977,10 +977,10 @@ + if (model==CPK || + (model==BALLnSTICK && ballSizeModel==PROPORTIONAL) ) { + if (model==BALLnSTICK) +- fprintf(pov,"#declare Proportionality_Constant = %.*g\n",SF,ballRadius); ++ fprintf(pov,"#declare Proportionality_Constant = %.*g;\n",SF,ballRadius); + for (Z=0;Z<NUM_ELEMENTS;Z++) { + if (PeriodicTable[Z].isPresent) { +- fprintf(pov,"#declare %s_Radius = %.*g", ++ fprintf(pov,"#declare %s_Radius = %.*g;", + PeriodicTable[Z].name,SF,PeriodicTable[Z].vdW); + if (model==BALLnSTICK) + fputs("*Proportionality_Constant\n",pov); +@@ -989,13 +989,13 @@ + } + } + } else +- fprintf(pov,"#declare All_Atom_Radius = %.*g\n",SF,Determine_Radius(0)); ++ fprintf(pov,"#declare All_Atom_Radius = %.*g;\n",SF,Determine_Radius(0)); + fputs("\n",pov); + + if (sphereColorModel==BY_ELEMENT || cylinderColorModel==BY_ELEMENT) { + for (Z=0;Z<NUM_ELEMENTS;Z++) { + if (PeriodicTable[Z].isPresent) { +- fprintf(pov,"#declare Atom_%s_Color = color rgb <%.5g, %.5g, %.5g>\n", ++ fprintf(pov,"#declare Atom_%s_Color = color rgb <%.5g, %.5g, %.5g>;\n", + PeriodicTable[Z].name,RED(Z),GREEN(Z),BLUE(Z)); + } + } +@@ -1003,20 +1003,20 @@ + } + + if (sphereColorModel==ALL_THE_SAME) +- fprintf(pov,"#declare All_Atom_Color = color rgb <%.5g, %.5g, %.5g>\n\n", ++ fprintf(pov,"#declare All_Atom_Color = color rgb <%.5g, %.5g, %.5g>;\n\n", + allSphereColor.r,allSphereColor.g,allSphereColor.b); + + if (sphereColorModel==BY_PDB) { + if (ballSizeModel==CONSTANT) { + fputs("#declare Atom_All =\n sphere {\n",pov); + fputs(" <0,0,0>, All_Atom_Radius\n",pov); +- fprintf(pov," finish { %s }\n }\n\n",FINISH); ++ fprintf(pov," finish { %s }\n };\n\n",FINISH); + } else { + for (Z=0;Z<NUM_ELEMENTS;Z++) { + if (PeriodicTable[Z].isPresent) { + fprintf(pov,"#declare Atom_%s =\n sphere {\n",PeriodicTable[Z].name); + fprintf(pov," <0,0,0>, %s_Radius\n",PeriodicTable[Z].name); +- fprintf(pov," finish { %s }\n }\n",FINISH); ++ fprintf(pov," finish { %s }\n };\n",FINISH); + } + } + fputs("\n",pov); +@@ -1024,7 +1024,7 @@ + tag=firstSphereTag; + nTags=nSphereTags; + for (i=0;i<nTags;i++) { +- fprintf(pov,"#declare Atom_%s_Color = color rgb <%.5g, %.5g, %.5g>\n", ++ fprintf(pov,"#declare Atom_%s_Color = color rgb <%.5g, %.5g, %.5g>;\n", + tag->name,tag->r,tag->g,tag->b); + tag=tag->next; + } +@@ -1051,7 +1051,7 @@ + fputs( " pigment { color All_Atom_Color }\n",pov); + break; + } +- fprintf(pov," finish { %s }\n }\n }\n",FINISH); ++ fprintf(pov," finish { %s }\n }\n };\n",FINISH); + } + } + +@@ -1060,7 +1060,7 @@ + fputs( " <0,0,0>, All_Atom_Radius\n",pov); + fputs( " texture {\n",pov); + fputs( " pigment { color All_Atom_Color }\n",pov); +- fprintf(pov," finish { %s }\n }\n }\n",FINISH); ++ fprintf(pov," finish { %s }\n }\n };\n",FINISH); + } + + fputs("\n",pov); +@@ -1080,26 +1080,26 @@ + factors[4]=HIGH_ORDER_FACTOR; + + if (nOrders[H_BOND]) { +- fprintf(pov,"#declare H_Bond_Radius = %.*g\n",SF,HBondRadius); +- fprintf(pov,"#declare H_Bond_Color = color rgb <%.5g, %.5g, %.5g>\n", ++ fprintf(pov,"#declare H_Bond_Radius = %.*g;\n",SF,HBondRadius); ++ fprintf(pov,"#declare H_Bond_Color = color rgb <%.5g, %.5g, %.5g>;\n", + HBondColor.r,HBondColor.g,HBondColor.b); + fputs( "#declare H_Bond =\n cylinder {\n",pov); + fputs( " <0,0,0>, <1,0,0>, H_Bond_Radius\n",pov); + fputs( " texture {\n",pov); + fputs( " pigment { H_Bond_Color }\n",pov); +- fprintf(pov," finish { %s }\n }\n }\n\n",FINISH); ++ fprintf(pov," finish { %s }\n }\n };\n\n",FINISH); + } + + if (model==CYLINDER) +- fputs("#declare All_Bond_Radius = All_Atom_Radius\n\n",pov); ++ fputs("#declare All_Bond_Radius = All_Atom_Radius;\n\n",pov); + else { + if (cylinderSizeModel==CONSTANT) +- fprintf(pov,"#declare All_Bond_Radius = %.*g\n\n",SF,cylinderRadius); ++ fprintf(pov,"#declare All_Bond_Radius = %.*g;\n\n",SF,cylinderRadius); + else { +- fprintf(pov,"#declare Single_Bond_Radius = %.*g\n",SF,cylinderRadius); ++ fprintf(pov,"#declare Single_Bond_Radius = %.*g;\n",SF,cylinderRadius); + for (i=DOUBLE;i<=HIGH_ORDER;i++) { + if (nOrders[i]) +- fprintf(pov,"#declare %sBond_Radius = Single_Bond_Radius*%.*g\n", ++ fprintf(pov,"#declare %sBond_Radius = Single_Bond_Radius*%.*g;\n", + orderTypes[i],SF,factors[i]); + } + fputs("\n",pov); +@@ -1107,7 +1107,7 @@ + } + + if (cylinderColorModel==ALL_THE_SAME) +- fprintf(pov,"#declare All_Bond_Color = color rgb <%.5g, %.5g, %.5g>\n\n", ++ fprintf(pov,"#declare All_Bond_Color = color rgb <%.5g, %.5g, %.5g>;\n\n", + allCylinderColor.r,allCylinderColor.g,allCylinderColor.b); + + fputs( "#declare Bond =\n cylinder {\n",pov); +@@ -1124,12 +1124,12 @@ + } else + fprintf(pov," finish { %s }\n",FINISH); + +- fputs( " }\n\n",pov); ++ fputs( " };\n\n",pov); + + if (cylinderColorModel==BY_PDB && firstCylinderTag!=firstSphereTag) { + tag=firstCylinderTag; + for (i=0;i<nCylinderTags;i++) { +- fprintf(pov,"#declare Bond_%s_Color = color rgb <%.5g, %.5g, %.5g>\n", ++ fprintf(pov,"#declare Bond_%s_Color = color rgb <%.5g, %.5g, %.5g>;\n", + tag->name,tag->r,tag->g,tag->b); + tag=tag->next; + } +@@ -2092,7 +2092,7 @@ + * the origin, looking along +Z, sky along +Y. + */ + +- fprintf(pov,"#declare Camera_Position = < %.6g, %.6g, %.6g >\n\n", ++ fprintf(pov,"#declare Camera_Position = < %.6g, %.6g, %.6g >;\n\n", + eye.x,eye.y,eye.z); + + fputs( "camera{\n",pov); +@@ -2317,7 +2317,7 @@ + + /*-------------------- the main program body --------------------------*/ + +-void main(int argc, char *argv[]) ++int main(int argc, char *argv[]) + { + char *pdbName, *configName=NULL; + char *tgaName=NULL, *leftTga=NULL, *rightTga=NULL; Copied: head/biology/povchem/files/patch-povchem.cfg (from r363137, head/biology/povchem/files/patch-ac) ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/biology/povchem/files/patch-povchem.cfg Mon Jul 28 14:22:16 2014 (r363159, copy of r363137, head/biology/povchem/files/patch-ac) @@ -0,0 +1,20 @@ +--- povchem.cfg.orig Tue Aug 8 03:13:31 2000 ++++ povchem.cfg Tue Aug 8 03:16:16 2000 +@@ -294,7 +294,7 @@ + # or leave blank the "POVRay" line, and the next five options will be ignored. + # + #POVRay = d:\graphics\povray\povray.exe +-POVRay = /usr/local/bin/povray ++POVRay = %%LOCALBASE%%/bin/povray + POVWidth = 640 + POVOptions = +V -D +Q9 +A +FT +B32 + RunPOVRay = No +@@ -331,7 +331,7 @@ + # the type of image POV-Ray generates - usually TGA (also called TARGA). + # + #Viewer = c:\util\dvpeg.exe +-Viewer = /usr/local/bin/xv ++Viewer = %%LOCALBASE%%/bin/display + + # If ColorSplit is Proportional, 'Power' determines the power of the vdW radii + # to which the point of color change is proportional. See the manual for Copied: head/biology/psi88/files/patch-src_makefile (from r363137, head/biology/psi88/files/patch-aa) ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/biology/psi88/files/patch-src_makefile Mon Jul 28 14:22:16 2014 (r363159, copy of r363137, head/biology/psi88/files/patch-aa) @@ -0,0 +1,53 @@ +--- src/makefile.orig ++++ src/makefile +@@ -29,9 +29,6 @@ + # + # SGI 4D series flags + # +-f77 = f77 +-FFLAGS = -w0 -O4 -G 64 +-LFLAGS = -lfastm -lfpe -s + # + # SUN Sparc series flags version 1.3 or later compiler + # +@@ -60,7 +57,6 @@ + # Place your G88/G90 util library definition here if you wish to + # compile chk2psi + # +-G90LIB = /usr/people/frisch/g90/libg90.a + # + # define the directory where the executables will reside + # usually /usr/local/bin or ~/bin to put it in your own directory +@@ -84,13 +80,13 @@ + ####################################################################### + # + +- all: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS) ++ all: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT $(EXTRAS) + + # + # Install in the executable directory - may need to be superuser + # depending on where you decide to put it (/usr/local/bin for instance) + # +-install: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS) ++install: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT $(EXTRAS) + mv PSI1 $(BIN) + chmod +rx $(BIN)/PSI1 + mv PSICON $(BIN) +@@ -99,8 +95,6 @@ + chmod +rx $(BIN)/PREPLOT + mv PSI2* $(BIN) + chmod +rx $(BIN)/PSI2* +- mv chk2psi $(BIN) +- chmod +rx $(BIN)/chk2psi + + # + # This is the Density matrix generation program (PSI1/88) +@@ -164,6 +158,6 @@ + # Clean up when done + # + clean : +- touch a.out foo.o core foo.u foo.f17 foo.22 ++ touch a.out foo.o core foo.u foo.f17 foo.22 + rm -f a.out *.o core *.u *.f17 *.f2* + Copied: head/biology/psi88/files/patch-unix_rpsi1 (from r363137, head/biology/psi88/files/patch-ba) ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/biology/psi88/files/patch-unix_rpsi1 Mon Jul 28 14:22:16 2014 (r363159, copy of r363137, head/biology/psi88/files/patch-ba) @@ -0,0 +1,19 @@ +*** unix/rpsi1.orig Sat May 25 03:50:02 1991 +--- unix/rpsi1 Thu Nov 12 11:25:41 1998 +*************** +*** 10,16 **** + # + # Run PSI1/88 using cmdlin.psi1 as input + # +! time ./PSI1 < $1.psi1 + # + # remove any old files with the target name + # +--- 10,16 ---- + # + # Run PSI1/88 using cmdlin.psi1 as input + # +! time PSI1 < $1.psi1 + # + # remove any old files with the target name + # Copied: head/biology/psi88/files/patch-unix_rpsi2 (from r363137, head/biology/psi88/files/patch-bb) ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/biology/psi88/files/patch-unix_rpsi2 Mon Jul 28 14:22:16 2014 (r363159, copy of r363137, head/biology/psi88/files/patch-bb) @@ -0,0 +1,143 @@ +*** unix/rpsi2.orig Sat May 25 03:50:02 1991 +--- unix/rpsi2 Thu Nov 12 23:41:19 1998 +*************** +*** 13,79 **** + if ($1 == '-hp') goto noargs + if ($1 == '-ct') goto noargs + echo -n 'no [-ps][-pk][-hp][-ct] options - attempting to run PSI2 ' +! /bin/time PSI2 < $1.psi2 + else + if ($argv[1] == '-hp') then + echo "Generating contours ... please wait." +! /bin/time PSI2HP < $2.psi2 + echo -n "Renaming HP Plotter file to "$2".hpp" +! mv -f fort.10 $2.hpp + echo "Done" + else if ($argv[2] == '-hp') then + echo "Generating contours ... please wait." +! /bin/time PSI2HP < $1.psi2 + echo -n "Renaming HP Plotter file to "$1".hpp" +! mv -f fort.10 $1.hpp + echo "Done" + else if ($argv[1] == '-ct') then + echo "Generating contours ... please wait." +! /bin/time PSI2CT < $2.psi2 + echo -n "Plotting for ChemText ... " + echo -n "Renaming ChemText Metafile to "$2".met" +! mv -f fort.10 $2.met + echo "Done" + else if ($argv[2] == '-ct') then + echo "Generating contours ... please wait." +! /bin/time PSI2CT < $1.psi2 + echo -n "Renaming ChemText Metafile to "$1".met" + mv -f fort.10 $1.met + echo "Done" + else if ($argv[1] == '-pk') then + echo "Generating contours ... please wait." + # setenv OUTPUT_DEVICE PostScript +! /bin/time PSI2PS < $2.psi2 + echo -n "Renaming PostScript file to "$2".ps" + mv -f psplot $argv[2].ps + echo "Done" + else if ($argv[2] == '-pk') then + echo "Generating contours ... please wait." + # setenv OUTPUT_DEVICE PostScript +! /bin/time PSI2PS < $1.psi2 + echo -n "Renaming PostScript file to "$1".ps" + mv -f psplot $argv[1].ps + echo "Done" + else if ($argv[1] == '-ps') then + echo "Generating contours ... please wait." + setenv OUTPUT_DEVICE PostScript +! /bin/time PSI2 < $2.psi2 + #SYSV echo -n "Plotting on the LaserWriter ... ";lp -c /tmp/ps_plot$USER + #SYSV rm -f /tmp/ps_plot$USER +! #BSD echo -n "Plotting on the LaserWriter ... ";lpr -r /tmp/ps_plot$USER + +! echo ' edit command file to choose print options, then remove this line' + + echo "Done" + else if ($argv[2] == '-ps') then + echo "Generating contours ... please wait." + setenv OUTPUT_DEVICE PostScript +! /bin/time PSI2 < $1.psi2 + #SYSV echo -n "Plotting on the LaserWriter ... ";lp -c /tmp/ps_plot$USER + #SYSV rm -f /tmp/ps_plot$USER +! #BSD echo -n "Plotting on the LaserWriter ... ";lpr -r /tmp/ps_plot$USER + +! echo ' edit command file to choose print options, then remove this line' + + echo "Done" + else +--- 13,83 ---- + if ($1 == '-hp') goto noargs + if ($1 == '-ct') goto noargs + echo -n 'no [-ps][-pk][-hp][-ct] options - attempting to run PSI2 ' +! time PSI2 < $1.psi2 +! # PSI2 is linked to PSI2PS, then output file `psplot' will moved to $argv[1].ps +! echo ': PSI2 is PSI2PS, now' +! mv -f psplot $argv[1].ps +! echo "Done" + else + if ($argv[1] == '-hp') then + echo "Generating contours ... please wait." +! time PSI2HP < $2.psi2 + echo -n "Renaming HP Plotter file to "$2".hpp" +! mv -f fort.66 $2.hpp + echo "Done" + else if ($argv[2] == '-hp') then + echo "Generating contours ... please wait." +! time PSI2HP < $1.psi2 + echo -n "Renaming HP Plotter file to "$1".hpp" +! mv -f fort.66 $1.hpp + echo "Done" + else if ($argv[1] == '-ct') then + echo "Generating contours ... please wait." +! time PSI2CT < $2.psi2 + echo -n "Plotting for ChemText ... " + echo -n "Renaming ChemText Metafile to "$2".met" +! mv -f fort.66 $2.met + echo "Done" + else if ($argv[2] == '-ct') then + echo "Generating contours ... please wait." +! time PSI2CT < $1.psi2 + echo -n "Renaming ChemText Metafile to "$1".met" + mv -f fort.10 $1.met + echo "Done" + else if ($argv[1] == '-pk') then + echo "Generating contours ... please wait." + # setenv OUTPUT_DEVICE PostScript +! time PSI2PS < $2.psi2 + echo -n "Renaming PostScript file to "$2".ps" + mv -f psplot $argv[2].ps + echo "Done" + else if ($argv[2] == '-pk') then + echo "Generating contours ... please wait." + # setenv OUTPUT_DEVICE PostScript +! time PSI2PS < $1.psi2 + echo -n "Renaming PostScript file to "$1".ps" + mv -f psplot $argv[1].ps + echo "Done" + else if ($argv[1] == '-ps') then + echo "Generating contours ... please wait." + setenv OUTPUT_DEVICE PostScript +! time PSI2 < $2.psi2 + #SYSV echo -n "Plotting on the LaserWriter ... ";lp -c /tmp/ps_plot$USER + #SYSV rm -f /tmp/ps_plot$USER +! echo -n "Plotting on the LaserWriter ... ";lpr -r /tmp/ps_plot$USER + +! #echo ' edit command file to choose print options, then remove this line' + + echo "Done" + else if ($argv[2] == '-ps') then + echo "Generating contours ... please wait." + setenv OUTPUT_DEVICE PostScript +! time PSI2 < $1.psi2 + #SYSV echo -n "Plotting on the LaserWriter ... ";lp -c /tmp/ps_plot$USER + #SYSV rm -f /tmp/ps_plot$USER +! echo -n "Plotting on the LaserWriter ... ";lpr -r /tmp/ps_plot$USER + +! #echo ' edit command file to choose print options, then remove this line' + + echo "Done" + else
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