forked from Lainports/freebsd-ports
- Roll back to 4.6 as 4.7 is the development version and is constantly being
re-rolled. - Move post-patch target into files/patch-xwin.c to remove sed invocation. - Respect NOPORTDATA and DATADIR. - Bring files/patch-aa back (to preserve history) and retire patch-makefile. - Fixup files/patch-xwin.c so it applies cleanly to this version.
This commit is contained in:
Wesley Shields
parent
07a28c2438
commit
a8dc52d3dc
5 changed files with 117 additions and 110 deletions
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@ -6,7 +6,8 @@
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#
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PORTNAME= molden
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PORTVERSION= 4.7
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PORTVERSION= 4.6
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PORTEPOCH= 1
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CATEGORIES= biology
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MASTER_SITES= ftp://ftp.cmbi.kun.nl/pub/molgraph/molden/
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DISTNAME= ${PORTNAME}${PORTVERSION}
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@ -15,8 +16,6 @@ DIST_SUBDIR= ${PKGNAME}
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MAINTAINER= oivulf@gmail.com
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COMMENT= Display molecular orbitals and electron densities in 2D and 3D
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BROKEN= Does not fetch
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USE_XORG= x11 xmu
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USE_GL= glut
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USE_FORTRAN= yes
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@ -28,9 +27,6 @@ MAKEFILE= ${WRKSRC}/makefile
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PORTDOCS= docs/*
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.endif
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post-patch:
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@${REINPLACE_CMD} -e 's,malloc.h,stdlib.h,' ${WRKSRC}/xwin.c
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post-configure:
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@${ECHO_MSG} "********************"
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@${ECHO_MSG} "** If you want to use a larger MOLDEN,"
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@ -47,9 +43,11 @@ do-install:
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${MKDIR} ${DOCSDIR}
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${INSTALL_DATA} ${WRKSRC}/doc/* ${DOCSDIR}
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.endif
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${MKDIR} ${PREFIX}/share/molden/test
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${MKDIR} ${PREFIX}/share/molden/utils
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${INSTALL_DATA} ${WRKSRC}/test/* ${PREFIX}/share/molden/test
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${INSTALL_DATA} ${WRKSRC}/utils/* ${PREFIX}/share/molden/utils
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.if !defined(NOPORTDATA)
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${MKDIR} ${DATADIR}/test
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${MKDIR} ${DATADIR}/utils
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${INSTALL_DATA} ${WRKSRC}/test/* ${DATADIR}/test
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${INSTALL_DATA} ${WRKSRC}/utils/* ${DATADIR}/utils
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.endif
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.include <bsd.port.mk>
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@ -1,3 +1,3 @@
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MD5 (molden-4.7/molden4.7.tar.gz) = 27ed92f0e4a7e7ff02879f72f06e4af8
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SHA256 (molden-4.7/molden4.7.tar.gz) = d76facb939f912f493b480669f39474a2b848dbbd3d5515835ca0fbc57cdad37
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SIZE (molden-4.7/molden4.7.tar.gz) = 2817858
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MD5 (molden-4.6,1/molden4.6.tar.gz) = 3b4e7fa4a323c7e283c0348fc6bb3b2d
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SHA256 (molden-4.6,1/molden4.6.tar.gz) = e18583d3e3234426b06403b056aed50e98397d6733e3b635c7011725e2816380
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SIZE (molden-4.6,1/molden4.6.tar.gz) = 2786093
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@ -1,5 +1,5 @@
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--- makefile.orig 2008-08-25 19:55:57.000000000 +0200
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+++ makefile 2008-11-01 21:48:37.000000000 +0100
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--- makefile.orig 2008-06-24 15:44:16.000000000 +0200
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+++ makefile 2008-11-10 22:53:22.000000000 +0100
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@@ -12,9 +12,23 @@
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#
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# Disregard compiler warnings on rdmolf.f
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@ -57,7 +57,7 @@
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surf/surf: surf/*.h surf/*.c
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- $(MAKE) -C surf depend
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+# $(MAKE) -C surf depend
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+ #$(MAKE) -C surf depend
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$(MAKE) -C surf
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# noxwin will not work as long as the old ocglbck calls arent in dummys
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@ -1,15 +1,24 @@
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--- xwin.c.orig 2008-11-03 09:37:45.707629185 -0500
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+++ xwin.c 2008-11-03 09:37:55.118628907 -0500
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@@ -3747,7 +3747,7 @@
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static int ibopth = 0;
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static int iboptl = 0;
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static int iboptm = 0;
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--- ./xwin.c.orig 2008-11-10 12:27:25.647441620 -0500
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+++ ./xwin.c 2008-11-10 12:29:25.515496080 -0500
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@@ -22,7 +22,7 @@
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#endif
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#if defined(DARWIN) || defined(FREEBSD)
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#else
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-#include <malloc.h>
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+#include <stdlib.h>
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#endif
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#endif
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@@ -3360,7 +3360,7 @@
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static int *icopth;
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static int *icoptl;
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static int *icoptm;
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-static int linkat = 0;
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+static int link_at = 0;
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static QBOXSTRU IANZboxes[MAXAT];
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static QBOXSTRU IZboxes[MAXAT][4];
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@@ -19086,7 +19086,7 @@
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@@ -17466,7 +17466,7 @@
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if (ioniom == 1) {
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int ism, isl;
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@ -18,20 +27,20 @@
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/* Counting the number of Link atoms between H and lower
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levels*/
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@@ -19099,10 +19099,10 @@
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@@ -17479,10 +17479,10 @@
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if (ionij != 0) continue;
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nconn = xyzp->iconn[j*(MXCON+1)];
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nconn = xyz.iconn[j*(MXCON+1)];
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for (k=1;k<=nconn;k++) {
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- if (xyzp->ityp[xyzp->iconn[j*(MXCON+1)+k]-1]/10000 > 0) linkat++;
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+ if (xyzp->ityp[xyzp->iconn[j*(MXCON+1)+k]-1]/10000 > 0) link_at++;
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- if (xyz.ityp[xyz.iconn[j*(MXCON+1)+k]-1]/10000 > 0) linkat++;
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+ if (xyz.ityp[xyz.iconn[j*(MXCON+1)+k]-1]/10000 > 0) link_at++;
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}
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}
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- linkat += 20000;
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+ link_at += 20000;
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jobcom->itotc = jobcom->icopth;
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jobcom->imult = jobcom->ispopth;
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*itotc = *icopth;
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*imult = *ispopth;
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if (CheckChargeMult()) {
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@@ -19123,7 +19123,7 @@
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@@ -17503,7 +17503,7 @@
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} else if (ioniom == 2) {
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@ -40,20 +49,20 @@
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/* Counting the number of Link atoms between H and
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lower levels*/
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@@ -19133,10 +19133,10 @@
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@@ -17513,10 +17513,10 @@
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if(ionij != 0) continue;
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nconn = xyzp->iconn[j*(MXCON+1)];
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nconn = xyz.iconn[j*(MXCON+1)];
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for (k=1;k<=nconn;k++) {
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- if (xyzp->ityp[xyzp->iconn[j*(MXCON+1)+k]-1]/10000 > 0) linkat++;
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+ if (xyzp->ityp[xyzp->iconn[j*(MXCON+1)+k]-1]/10000 > 0) link_at++;
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- if (xyz.ityp[xyz.iconn[j*(MXCON+1)+k]-1]/10000 > 0) linkat++;
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+ if (xyz.ityp[xyz.iconn[j*(MXCON+1)+k]-1]/10000 > 0) link_at++;
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}
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}
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- linkat += 20000;
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+ link_at += 20000;
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jobcom->itotc = jobcom->icopth;
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jobcom->imult = jobcom->ispopth;
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*itotc = *icopth;
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*imult = *ispopth;
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if (CheckChargeMult()) {
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@@ -19148,7 +19148,7 @@
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@@ -17528,7 +17528,7 @@
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break;
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*/
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}
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@ -62,29 +71,29 @@
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/* Counting the number of Link atoms between H+M and
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lower levels*/
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@@ -19158,10 +19158,10 @@
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@@ -17538,10 +17538,10 @@
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if (ionij == 2) continue;
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nconn = xyzp->iconn[j*(MXCON+1)];
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nconn = xyz.iconn[j*(MXCON+1)];
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for (k=1;k<=nconn;k++) {
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- if (xyzp->ityp[xyzp->iconn[j*(MXCON+1)+k]-1]/10000 == 2) linkat++;
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+ if (xyzp->ityp[xyzp->iconn[j*(MXCON+1)+k]-1]/10000 == 2) link_at++;
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- if (xyz.ityp[xyz.iconn[j*(MXCON+1)+k]-1]/10000 == 2) linkat++;
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+ if (xyz.ityp[xyz.iconn[j*(MXCON+1)+k]-1]/10000 == 2) link_at++;
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}
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}
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- linkat += 20000;
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+ link_at += 20000;
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jobcom->itotc = jobcom->icoptm;
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jobcom->imult = jobcom->ispoptm;
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*itotc = *icoptm;
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*imult = *ispoptm;
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if (CheckChargeMult()) {
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@@ -19176,7 +19176,7 @@
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icopt = jobcom->icoptl+3;
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ispopt = jobcom->ispoptl-1;
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@@ -17556,7 +17556,7 @@
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icopt = *icoptl+3;
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ispopt = *ispoptl-1;
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}
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- linkat = 0;
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+ link_at = 0;
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jobcom->itotc = icopt - 3;
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jobcom->imult = ispopt + 1;
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jobcom->ito = itopt[jmode] + 1;
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@@ -19428,10 +19428,10 @@
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*itotc = icopt - 3;
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*imult = ispopt + 1;
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*ito = itopt[jmode] + 1;
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@@ -17808,10 +17808,10 @@
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ionil = 0;
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if (ioniom) {
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@ -97,18 +106,18 @@
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+ link_at = 0;
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}
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if (*zmptrp->ihaszm) {
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@@ -19454,10 +19454,10 @@
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if (*zmptr.ihaszm) {
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@@ -17834,10 +17834,10 @@
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}
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}
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/*
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- fprintf(stderr,"ionil %d ne %d itotc %d linkat %d mult %d\n",
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- ionil,ne,jobcom->itotc,linkat,jobcom->imult);
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- ionil,ne,*itotc,linkat,*imult);
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+ fprintf(stderr,"ionil %d ne %d itotc %d link_at %d mult %d\n",
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+ ionil,ne,jobcom->itotc,link_at,jobcom->imult);
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+ ionil,ne,*itotc,link_at,*imult);
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*/
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- ne = ne - jobcom->itotc + linkat;
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+ ne = ne - jobcom->itotc + link_at;
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if (ne % 2 == jobcom->imult % 2) return(1);
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- ne = ne - *itotc + linkat;
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+ ne = ne - *itotc + link_at;
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if (ne % 2 == *imult % 2) return(1);
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return(0);
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}
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@ -5,56 +5,56 @@ bin/surf
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%%PORTDOCS%%%%DOCSDIR%%/manual.txt.Z
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%%PORTDOCS%%%%DOCSDIR%%/manual.ps.Z
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%%PORTDOCS%%%%DOCSDIR%%/figures.ps.Z
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share/molden/test/adf.molf
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share/molden/test/ambfor_amber.xyz
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share/molden/test/ambfor_gaff.xyz
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share/molden/test/ampac.arc
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share/molden/test/ampac.test
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share/molden/test/bucky.xyz
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share/molden/test/chemx.test
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share/molden/test/complex2.out
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share/molden/test/cpeptide.gro
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share/molden/test/esp.test
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share/molden/test/esp.txt
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share/molden/test/esp.xyz
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share/molden/test/fragment
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share/molden/test/gamess_uk.freq
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share/molden/test/gamess_uk.input
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share/molden/test/gamess_uk.test1
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share/molden/test/gamess_uk.test2
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share/molden/test/gamess_us.h2o_631g_opt.out
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share/molden/test/gamess_us.irc
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share/molden/test/gamess_us_uhf_opt
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share/molden/test/gaussian.freq
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share/molden/test/gaussian.input
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share/molden/test/gaussian.test
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share/molden/test/jaguar.cube
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share/molden/test/molden.ogl
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share/molden/test/mopac.freq
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share/molden/test/mopac.test
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share/molden/test/pdb.test
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share/molden/test/pdb.test.omap
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share/molden/test/qchem.test
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share/molden/test/reacpth.xyz
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share/molden/test/shelx.ins
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share/molden/test/surface.molf
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share/molden/test/test.fdat
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share/molden/test/test.mol2
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share/molden/test/test_homo.cube
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share/molden/test/tinker_charmm.xyz
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share/molden/test/tinker_mm3.xyz
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share/molden/test/uracil.fdat
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share/molden/test/uracil_gauss.out
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share/molden/test/vamp.test
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share/molden/utils/INFO
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share/molden/utils/ch_backspace
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share/molden/utils/ch_mxcon
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share/molden/utils/ch_par
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share/molden/utils/colors
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share/molden/utils/ircextract.awk
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share/molden/utils/molden
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share/molden/utils/multi_vrml.csh
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share/molden/utils/multi_vrml_orbitals.csh
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@dirrm share/molden/utils
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@dirrm share/molden/test
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@dirrm share/molden
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%%PORTDATA%%%%DATADIR%%/test/adf.molf
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%%PORTDATA%%%%DATADIR%%/test/ambfor_amber.xyz
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%%PORTDATA%%%%DATADIR%%/test/ambfor_gaff.xyz
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%%PORTDATA%%%%DATADIR%%/test/ampac.arc
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%%PORTDATA%%%%DATADIR%%/test/ampac.test
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%%PORTDATA%%%%DATADIR%%/test/bucky.xyz
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%%PORTDATA%%%%DATADIR%%/test/chemx.test
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%%PORTDATA%%%%DATADIR%%/test/complex2.out
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%%PORTDATA%%%%DATADIR%%/test/cpeptide.gro
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%%PORTDATA%%%%DATADIR%%/test/esp.test
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%%PORTDATA%%%%DATADIR%%/test/esp.txt
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%%PORTDATA%%%%DATADIR%%/test/esp.xyz
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%%PORTDATA%%%%DATADIR%%/test/fragment
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%%PORTDATA%%%%DATADIR%%/test/gamess_uk.freq
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%%PORTDATA%%%%DATADIR%%/test/gamess_uk.input
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%%PORTDATA%%%%DATADIR%%/test/gamess_uk.test1
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%%PORTDATA%%%%DATADIR%%/test/gamess_uk.test2
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%%PORTDATA%%%%DATADIR%%/test/gamess_us.h2o_631g_opt.out
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%%PORTDATA%%%%DATADIR%%/test/gamess_us.irc
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%%PORTDATA%%%%DATADIR%%/test/gamess_us_uhf_opt
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%%PORTDATA%%%%DATADIR%%/test/gaussian.freq
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%%PORTDATA%%%%DATADIR%%/test/gaussian.input
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%%PORTDATA%%%%DATADIR%%/test/gaussian.test
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%%PORTDATA%%%%DATADIR%%/test/jaguar.cube
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%%PORTDATA%%%%DATADIR%%/test/molden.ogl
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%%PORTDATA%%%%DATADIR%%/test/mopac.freq
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%%PORTDATA%%%%DATADIR%%/test/mopac.test
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%%PORTDATA%%%%DATADIR%%/test/pdb.test
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%%PORTDATA%%%%DATADIR%%/test/pdb.test.omap
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%%PORTDATA%%%%DATADIR%%/test/qchem.test
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%%PORTDATA%%%%DATADIR%%/test/reacpth.xyz
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%%PORTDATA%%%%DATADIR%%/test/shelx.ins
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%%PORTDATA%%%%DATADIR%%/test/surface.molf
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%%PORTDATA%%%%DATADIR%%/test/test.fdat
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%%PORTDATA%%%%DATADIR%%/test/test.mol2
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%%PORTDATA%%%%DATADIR%%/test/test_homo.cube
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%%PORTDATA%%%%DATADIR%%/test/tinker_charmm.xyz
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%%PORTDATA%%%%DATADIR%%/test/tinker_mm3.xyz
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%%PORTDATA%%%%DATADIR%%/test/uracil.fdat
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%%PORTDATA%%%%DATADIR%%/test/uracil_gauss.out
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%%PORTDATA%%%%DATADIR%%/test/vamp.test
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%%PORTDATA%%%%DATADIR%%/utils/INFO
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%%PORTDATA%%%%DATADIR%%/utils/ch_backspace
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%%PORTDATA%%%%DATADIR%%/utils/ch_mxcon
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%%PORTDATA%%%%DATADIR%%/utils/ch_par
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%%PORTDATA%%%%DATADIR%%/utils/colors
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%%PORTDATA%%%%DATADIR%%/utils/ircextract.awk
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%%PORTDATA%%%%DATADIR%%/utils/molden
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%%PORTDATA%%%%DATADIR%%/utils/multi_vrml.csh
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%%PORTDATA%%%%DATADIR%%/utils/multi_vrml_orbitals.csh
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%%PORTDATA%%@dirrm %%DATADIR%%/utils
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%%PORTDATA%%@dirrm %%DATADIR%%/test
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%%PORTDATA%%@dirrm %%DATADIR%%
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Loading…
Add table
Reference in a new issue