[PATCH] Fix biology/molden

Steve Kargl sgk at troutmask.apl.washington.edu
Fri Aug 1 19:03:19 UTC 2008


diff -urN molden.old/Makefile molden/Makefile
--- molden.old/Makefile	2008-08-01 11:06:14.000000000 -0700
+++ molden/Makefile	2008-04-25 15:53:23.000000000 -0700
@@ -28,9 +28,9 @@
 
 USE_FORTRAN=	yes
 
-#.if ${OSVERSION} >= 800030
-#BROKEN=		does not compile
-#.endif
+.if ${OSVERSION} >= 800030
+BROKEN=		does not compile
+.endif
 
 post-patch:
 	${REINPLACE_CMD} -e 's,malloc.h,stdlib.h,' ${WRKSRC}/xwin.c
diff -urN molden.old/files/patch-xwin.c molden/files/patch-xwin.c
--- molden.old/files/patch-xwin.c	2008-08-01 11:43:00.000000000 -0700
+++ molden/files/patch-xwin.c	1969-12-31 16:00:00.000000000 -0800
@@ -1,114 +0,0 @@
---- xwin.c.orig	2008-08-01 11:34:19.000000000 -0700
-+++ xwin.c	2008-08-01 11:34:32.000000000 -0700
-@@ -3177,7 +3177,7 @@
- static int *icopth;
- static int *icoptl;
- static int *icoptm;
--static int linkat = 0;
-+static int link_at = 0;
- 
- static QBOXSTRU IANZboxes[MAXAT];
- static QBOXSTRU IZboxes[MAXAT][4];
-@@ -11622,7 +11622,7 @@
- 		if (ioniom == 1) {
- 		  int ism, isl;
- 
--		  linkat = 0;
-+		  link_at = 0;
- 
- 		  /* Counting the number of Link atoms between H and lower 
- 		     levels*/
-@@ -11635,10 +11635,10 @@
- 		     if (ionij != 0) continue;
- 		     nconn = atomptr->iconn[j][0];
- 		     for (k=1;k<=nconn;k++) {
--		       if (ityp[atomptr->iconn[j][k]-1]/10000 > 0) linkat++;
-+		       if (ityp[atomptr->iconn[j][k]-1]/10000 > 0) link_at++;
- 		     }
- 		  }
--		  linkat += 20000;
-+		  link_at += 20000;
- 		  *itotc = *icopth;
- 		  *imult = *ispopth;
- 		  if (CheckChargeMult()) {
-@@ -11659,7 +11659,7 @@
- 
- 		}  else if (ioniom == 2) {
- 
--	          linkat = 0;
-+	          link_at = 0;
- 
- 		  /* Counting the number of Link atoms between H and 
- 		       lower levels*/
-@@ -11669,10 +11669,10 @@
- 			 if(ionij != 0) continue;
- 		         nconn = atomptr->iconn[j][0];
- 		         for (k=1;k<=nconn;k++) {
--		           if (ityp[atomptr->iconn[j][k]-1]/10000 > 0) linkat++;
-+		           if (ityp[atomptr->iconn[j][k]-1]/10000 > 0) link_at++;
- 		         }
- 		  }
--		  linkat += 20000;
-+		  link_at += 20000;
- 		  *itotc = *icopth;
- 		  *imult = *ispopth;
- 		  if (CheckChargeMult()) {
-@@ -11684,7 +11684,7 @@
- 	               break;
- */
- 		  }
--	          linkat = 0;
-+	          link_at = 0;
- 
- 		  /* Counting the number of Link atoms between H+M and 
- 		     lower levels*/
-@@ -11694,10 +11694,10 @@
- 			if (ionij == 2) continue;
- 			nconn = atomptr->iconn[j][0];
- 			for (k=1;k<=nconn;k++) {
--			   if (ityp[atomptr->iconn[j][k]-1]/10000 == 2) linkat++;
-+			   if (ityp[atomptr->iconn[j][k]-1]/10000 == 2) link_at++;
- 			}
- 		  }
--		  linkat += 20000;
-+		  link_at += 20000;
- 		  *itotc = *icoptm;
- 		  *imult = *ispoptm;
- 		  if (CheckChargeMult()) {
-@@ -11712,7 +11712,7 @@
- 		  icopt = *icoptl+3;
- 		  ispopt = *ispoptl-1;
- 		}
--		linkat = 0;
-+		link_at = 0;
- 		*itotc = icopt - 3;
- 		*imult = ispopt + 1;
- 		*ito = itopt[jmode] + 1;
-@@ -11964,10 +11964,10 @@
-    ionil = 0;
- 
-    if (ioniom) {
--     ionil = 3 - (linkat / 10000);
--     linkat -= (linkat / 10000) * 10000;
-+     ionil = 3 - (link_at / 10000);
-+     link_at -= (link_at / 10000) * 10000;
-    } else {
--     linkat = 0;
-+     link_at = 0;
-    }
- 
-    if (*zmptr.ihaszm) {
-@@ -11990,10 +11990,10 @@
-       }
-    }
- /*
--   fprintf(stderr,"ionil %d ne %d itotc %d linkat %d mult %d\n",
--                   ionil,ne,*itotc,linkat,*imult);
-+   fprintf(stderr,"ionil %d ne %d itotc %d link_at %d mult %d\n",
-+                   ionil,ne,*itotc,link_at,*imult);
- */
--   ne = ne - *itotc + linkat;
-+   ne = ne - *itotc + link_at;
-    if (ne % 2 == *imult % 2) return(1);
-    return(0);
- }


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