pkgsrc/misc/molden/patches/patch-ab

127 lines
3.3 KiB
Text

$NetBSD: patch-ab,v 1.2 2015/03/21 19:27:56 joerg Exp $
--- xwin.c.orig 2008-08-30 11:59:22.000000000 +0000
+++ xwin.c
@@ -20,10 +20,6 @@
#include <GL/gl.h>
#include <GL/glu.h>
#endif
-#if defined(DARWIN) || defined(FREEBSD)
-#else
-#include <malloc.h>
-#endif
#endif
#include <stdio.h>
@@ -3360,7 +3356,7 @@ static int *ispoptm;
static int *icopth;
static int *icoptl;
static int *icoptm;
-static int linkat = 0;
+static int my_linkat = 0;
static QBOXSTRU IANZboxes[MAXAT];
static QBOXSTRU IZboxes[MAXAT][4];
@@ -17466,7 +17462,7 @@ int i;
if (ioniom == 1) {
int ism, isl;
- linkat = 0;
+ my_linkat = 0;
/* Counting the number of Link atoms between H and lower
levels*/
@@ -17479,10 +17475,10 @@ int i;
if (ionij != 0) continue;
nconn = xyz.iconn[j*(MXCON+1)];
for (k=1;k<=nconn;k++) {
- if (xyz.ityp[xyz.iconn[j*(MXCON+1)+k]-1]/10000 > 0) linkat++;
+ if (xyz.ityp[xyz.iconn[j*(MXCON+1)+k]-1]/10000 > 0) my_linkat++;
}
}
- linkat += 20000;
+ my_linkat += 20000;
*itotc = *icopth;
*imult = *ispopth;
if (CheckChargeMult()) {
@@ -17503,7 +17499,7 @@ int i;
} else if (ioniom == 2) {
- linkat = 0;
+ my_linkat = 0;
/* Counting the number of Link atoms between H and
lower levels*/
@@ -17513,10 +17509,10 @@ int i;
if(ionij != 0) continue;
nconn = xyz.iconn[j*(MXCON+1)];
for (k=1;k<=nconn;k++) {
- if (xyz.ityp[xyz.iconn[j*(MXCON+1)+k]-1]/10000 > 0) linkat++;
+ if (xyz.ityp[xyz.iconn[j*(MXCON+1)+k]-1]/10000 > 0) my_linkat++;
}
}
- linkat += 20000;
+ my_linkat += 20000;
*itotc = *icopth;
*imult = *ispopth;
if (CheckChargeMult()) {
@@ -17528,7 +17524,7 @@ int i;
break;
*/
}
- linkat = 0;
+ my_linkat = 0;
/* Counting the number of Link atoms between H+M and
lower levels*/
@@ -17538,10 +17534,10 @@ int i;
if (ionij == 2) continue;
nconn = xyz.iconn[j*(MXCON+1)];
for (k=1;k<=nconn;k++) {
- if (xyz.ityp[xyz.iconn[j*(MXCON+1)+k]-1]/10000 == 2) linkat++;
+ if (xyz.ityp[xyz.iconn[j*(MXCON+1)+k]-1]/10000 == 2) my_linkat++;
}
}
- linkat += 20000;
+ my_linkat += 20000;
*itotc = *icoptm;
*imult = *ispoptm;
if (CheckChargeMult()) {
@@ -17556,7 +17552,7 @@ int i;
icopt = *icoptl+3;
ispopt = *ispoptl-1;
}
- linkat = 0;
+ my_linkat = 0;
*itotc = icopt - 3;
*imult = ispopt + 1;
*ito = itopt[jmode] + 1;
@@ -17808,10 +17804,10 @@ int CheckChargeMult()
ionil = 0;
if (ioniom) {
- ionil = 3 - (linkat / 10000);
- linkat -= (linkat / 10000) * 10000;
+ ionil = 3 - (my_linkat / 10000);
+ my_linkat -= (my_linkat / 10000) * 10000;
} else {
- linkat = 0;
+ my_linkat = 0;
}
if (*zmptr.ihaszm) {
@@ -17834,10 +17830,10 @@ int CheckChargeMult()
}
}
/*
- 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 my_linkat %d mult %d\n",
+ ionil,ne,*itotc,my_linkat,*imult);
*/
- ne = ne - *itotc + linkat;
+ ne = ne - *itotc + my_linkat;
if (ne % 2 == *imult % 2) return(1);
return(0);
}