diff options
author | wxs <wxs@FreeBSD.org> | 2008-11-11 10:21:28 +0800 |
---|---|---|
committer | wxs <wxs@FreeBSD.org> | 2008-11-11 10:21:28 +0800 |
commit | dfa693904825fbce7750625e4fc40f97ee5b236f (patch) | |
tree | c052f7e1f92f2be86e488cddcd95a2feafa0dea4 /biology | |
parent | 07792bfe645e836adcac625a6fa8731544a294e8 (diff) | |
download | freebsd-ports-gnome-dfa693904825fbce7750625e4fc40f97ee5b236f.tar.gz freebsd-ports-gnome-dfa693904825fbce7750625e4fc40f97ee5b236f.tar.zst freebsd-ports-gnome-dfa693904825fbce7750625e4fc40f97ee5b236f.zip |
- 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.
Diffstat (limited to 'biology')
-rw-r--r-- | biology/molden/Makefile | 18 | ||||
-rw-r--r-- | biology/molden/distinfo | 6 | ||||
-rw-r--r-- | biology/molden/files/patch-aa (renamed from biology/molden/files/patch-makefile) | 6 | ||||
-rw-r--r-- | biology/molden/files/patch-xwin.c | 91 | ||||
-rw-r--r-- | biology/molden/pkg-plist | 106 |
5 files changed, 117 insertions, 110 deletions
diff --git a/biology/molden/Makefile b/biology/molden/Makefile index 177b352b4c09..a16f75d51f32 100644 --- a/biology/molden/Makefile +++ b/biology/molden/Makefile @@ -6,7 +6,8 @@ # PORTNAME= molden -PORTVERSION= 4.7 +PORTVERSION= 4.6 +PORTEPOCH= 1 CATEGORIES= biology MASTER_SITES= ftp://ftp.cmbi.kun.nl/pub/molgraph/molden/ DISTNAME= ${PORTNAME}${PORTVERSION} @@ -15,8 +16,6 @@ DIST_SUBDIR= ${PKGNAME} MAINTAINER= oivulf@gmail.com COMMENT= Display molecular orbitals and electron densities in 2D and 3D -BROKEN= Does not fetch - USE_XORG= x11 xmu USE_GL= glut USE_FORTRAN= yes @@ -28,9 +27,6 @@ MAKEFILE= ${WRKSRC}/makefile PORTDOCS= docs/* .endif -post-patch: - @${REINPLACE_CMD} -e 's,malloc.h,stdlib.h,' ${WRKSRC}/xwin.c - post-configure: @${ECHO_MSG} "********************" @${ECHO_MSG} "** If you want to use a larger MOLDEN," @@ -47,9 +43,11 @@ do-install: ${MKDIR} ${DOCSDIR} ${INSTALL_DATA} ${WRKSRC}/doc/* ${DOCSDIR} .endif - ${MKDIR} ${PREFIX}/share/molden/test - ${MKDIR} ${PREFIX}/share/molden/utils - ${INSTALL_DATA} ${WRKSRC}/test/* ${PREFIX}/share/molden/test - ${INSTALL_DATA} ${WRKSRC}/utils/* ${PREFIX}/share/molden/utils +.if !defined(NOPORTDATA) + ${MKDIR} ${DATADIR}/test + ${MKDIR} ${DATADIR}/utils + ${INSTALL_DATA} ${WRKSRC}/test/* ${DATADIR}/test + ${INSTALL_DATA} ${WRKSRC}/utils/* ${DATADIR}/utils +.endif .include <bsd.port.mk> diff --git a/biology/molden/distinfo b/biology/molden/distinfo index 9fbacbc7a84f..ad263a13e821 100644 --- a/biology/molden/distinfo +++ b/biology/molden/distinfo @@ -1,3 +1,3 @@ -MD5 (molden-4.7/molden4.7.tar.gz) = 27ed92f0e4a7e7ff02879f72f06e4af8 -SHA256 (molden-4.7/molden4.7.tar.gz) = d76facb939f912f493b480669f39474a2b848dbbd3d5515835ca0fbc57cdad37 -SIZE (molden-4.7/molden4.7.tar.gz) = 2817858 +MD5 (molden-4.6,1/molden4.6.tar.gz) = 3b4e7fa4a323c7e283c0348fc6bb3b2d +SHA256 (molden-4.6,1/molden4.6.tar.gz) = e18583d3e3234426b06403b056aed50e98397d6733e3b635c7011725e2816380 +SIZE (molden-4.6,1/molden4.6.tar.gz) = 2786093 diff --git a/biology/molden/files/patch-makefile b/biology/molden/files/patch-aa index ac9cc36e67b1..e4c75e6ed719 100644 --- a/biology/molden/files/patch-makefile +++ b/biology/molden/files/patch-aa @@ -1,5 +1,5 @@ ---- makefile.orig 2008-08-25 19:55:57.000000000 +0200 -+++ makefile 2008-11-01 21:48:37.000000000 +0100 +--- makefile.orig 2008-06-24 15:44:16.000000000 +0200 ++++ makefile 2008-11-10 22:53:22.000000000 +0100 @@ -12,9 +12,23 @@ # # Disregard compiler warnings on rdmolf.f @@ -57,7 +57,7 @@ surf/surf: surf/*.h surf/*.c - $(MAKE) -C surf depend -+# $(MAKE) -C surf depend ++ #$(MAKE) -C surf depend $(MAKE) -C surf # noxwin will not work as long as the old ocglbck calls arent in dummys diff --git a/biology/molden/files/patch-xwin.c b/biology/molden/files/patch-xwin.c index bb8017792ddf..f521bc4e51a5 100644 --- a/biology/molden/files/patch-xwin.c +++ b/biology/molden/files/patch-xwin.c @@ -1,15 +1,24 @@ ---- xwin.c.orig 2008-11-03 09:37:45.707629185 -0500 -+++ xwin.c 2008-11-03 09:37:55.118628907 -0500 -@@ -3747,7 +3747,7 @@ - static int ibopth = 0; - static int iboptl = 0; - static int iboptm = 0; +--- ./xwin.c.orig 2008-11-10 12:27:25.647441620 -0500 ++++ ./xwin.c 2008-11-10 12:29:25.515496080 -0500 +@@ -22,7 +22,7 @@ + #endif + #if defined(DARWIN) || defined(FREEBSD) + #else +-#include <malloc.h> ++#include <stdlib.h> + #endif + #endif + +@@ -3360,7 +3360,7 @@ + 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]; -@@ -19086,7 +19086,7 @@ +@@ -17466,7 +17466,7 @@ if (ioniom == 1) { int ism, isl; @@ -18,20 +27,20 @@ /* Counting the number of Link atoms between H and lower levels*/ -@@ -19099,10 +19099,10 @@ +@@ -17479,10 +17479,10 @@ if (ionij != 0) continue; - nconn = xyzp->iconn[j*(MXCON+1)]; + nconn = xyz.iconn[j*(MXCON+1)]; for (k=1;k<=nconn;k++) { -- if (xyzp->ityp[xyzp->iconn[j*(MXCON+1)+k]-1]/10000 > 0) linkat++; -+ if (xyzp->ityp[xyzp->iconn[j*(MXCON+1)+k]-1]/10000 > 0) link_at++; +- 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) link_at++; } } - linkat += 20000; + link_at += 20000; - jobcom->itotc = jobcom->icopth; - jobcom->imult = jobcom->ispopth; + *itotc = *icopth; + *imult = *ispopth; if (CheckChargeMult()) { -@@ -19123,7 +19123,7 @@ +@@ -17503,7 +17503,7 @@ } else if (ioniom == 2) { @@ -40,20 +49,20 @@ /* Counting the number of Link atoms between H and lower levels*/ -@@ -19133,10 +19133,10 @@ +@@ -17513,10 +17513,10 @@ if(ionij != 0) continue; - nconn = xyzp->iconn[j*(MXCON+1)]; + nconn = xyz.iconn[j*(MXCON+1)]; for (k=1;k<=nconn;k++) { -- if (xyzp->ityp[xyzp->iconn[j*(MXCON+1)+k]-1]/10000 > 0) linkat++; -+ if (xyzp->ityp[xyzp->iconn[j*(MXCON+1)+k]-1]/10000 > 0) link_at++; +- 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) link_at++; } } - linkat += 20000; + link_at += 20000; - jobcom->itotc = jobcom->icopth; - jobcom->imult = jobcom->ispopth; + *itotc = *icopth; + *imult = *ispopth; if (CheckChargeMult()) { -@@ -19148,7 +19148,7 @@ +@@ -17528,7 +17528,7 @@ break; */ } @@ -62,29 +71,29 @@ /* Counting the number of Link atoms between H+M and lower levels*/ -@@ -19158,10 +19158,10 @@ +@@ -17538,10 +17538,10 @@ if (ionij == 2) continue; - nconn = xyzp->iconn[j*(MXCON+1)]; + nconn = xyz.iconn[j*(MXCON+1)]; for (k=1;k<=nconn;k++) { -- if (xyzp->ityp[xyzp->iconn[j*(MXCON+1)+k]-1]/10000 == 2) linkat++; -+ if (xyzp->ityp[xyzp->iconn[j*(MXCON+1)+k]-1]/10000 == 2) link_at++; +- 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) link_at++; } } - linkat += 20000; + link_at += 20000; - jobcom->itotc = jobcom->icoptm; - jobcom->imult = jobcom->ispoptm; + *itotc = *icoptm; + *imult = *ispoptm; if (CheckChargeMult()) { -@@ -19176,7 +19176,7 @@ - icopt = jobcom->icoptl+3; - ispopt = jobcom->ispoptl-1; +@@ -17556,7 +17556,7 @@ + icopt = *icoptl+3; + ispopt = *ispoptl-1; } - linkat = 0; + link_at = 0; - jobcom->itotc = icopt - 3; - jobcom->imult = ispopt + 1; - jobcom->ito = itopt[jmode] + 1; -@@ -19428,10 +19428,10 @@ + *itotc = icopt - 3; + *imult = ispopt + 1; + *ito = itopt[jmode] + 1; +@@ -17808,10 +17808,10 @@ ionil = 0; if (ioniom) { @@ -97,18 +106,18 @@ + link_at = 0; } - if (*zmptrp->ihaszm) { -@@ -19454,10 +19454,10 @@ + if (*zmptr.ihaszm) { +@@ -17834,10 +17834,10 @@ } } /* - fprintf(stderr,"ionil %d ne %d itotc %d linkat %d mult %d\n", -- ionil,ne,jobcom->itotc,linkat,jobcom->imult); +- ionil,ne,*itotc,linkat,*imult); + fprintf(stderr,"ionil %d ne %d itotc %d link_at %d mult %d\n", -+ ionil,ne,jobcom->itotc,link_at,jobcom->imult); ++ ionil,ne,*itotc,link_at,*imult); */ -- ne = ne - jobcom->itotc + linkat; -+ ne = ne - jobcom->itotc + link_at; - if (ne % 2 == jobcom->imult % 2) return(1); +- ne = ne - *itotc + linkat; ++ ne = ne - *itotc + link_at; + if (ne % 2 == *imult % 2) return(1); return(0); } diff --git a/biology/molden/pkg-plist b/biology/molden/pkg-plist index 169d1e39d52a..53b0cc1ff4b6 100644 --- a/biology/molden/pkg-plist +++ b/biology/molden/pkg-plist @@ -5,56 +5,56 @@ bin/surf %%PORTDOCS%%%%DOCSDIR%%/manual.txt.Z %%PORTDOCS%%%%DOCSDIR%%/manual.ps.Z %%PORTDOCS%%%%DOCSDIR%%/figures.ps.Z -share/molden/test/adf.molf -share/molden/test/ambfor_amber.xyz -share/molden/test/ambfor_gaff.xyz -share/molden/test/ampac.arc -share/molden/test/ampac.test -share/molden/test/bucky.xyz -share/molden/test/chemx.test -share/molden/test/complex2.out -share/molden/test/cpeptide.gro -share/molden/test/esp.test -share/molden/test/esp.txt -share/molden/test/esp.xyz -share/molden/test/fragment -share/molden/test/gamess_uk.freq -share/molden/test/gamess_uk.input -share/molden/test/gamess_uk.test1 -share/molden/test/gamess_uk.test2 -share/molden/test/gamess_us.h2o_631g_opt.out -share/molden/test/gamess_us.irc -share/molden/test/gamess_us_uhf_opt -share/molden/test/gaussian.freq -share/molden/test/gaussian.input -share/molden/test/gaussian.test -share/molden/test/jaguar.cube -share/molden/test/molden.ogl -share/molden/test/mopac.freq -share/molden/test/mopac.test -share/molden/test/pdb.test -share/molden/test/pdb.test.omap -share/molden/test/qchem.test -share/molden/test/reacpth.xyz -share/molden/test/shelx.ins -share/molden/test/surface.molf -share/molden/test/test.fdat -share/molden/test/test.mol2 -share/molden/test/test_homo.cube -share/molden/test/tinker_charmm.xyz -share/molden/test/tinker_mm3.xyz -share/molden/test/uracil.fdat -share/molden/test/uracil_gauss.out -share/molden/test/vamp.test -share/molden/utils/INFO -share/molden/utils/ch_backspace -share/molden/utils/ch_mxcon -share/molden/utils/ch_par -share/molden/utils/colors -share/molden/utils/ircextract.awk -share/molden/utils/molden -share/molden/utils/multi_vrml.csh -share/molden/utils/multi_vrml_orbitals.csh -@dirrm share/molden/utils -@dirrm share/molden/test -@dirrm share/molden +%%PORTDATA%%%%DATADIR%%/test/adf.molf +%%PORTDATA%%%%DATADIR%%/test/ambfor_amber.xyz +%%PORTDATA%%%%DATADIR%%/test/ambfor_gaff.xyz +%%PORTDATA%%%%DATADIR%%/test/ampac.arc +%%PORTDATA%%%%DATADIR%%/test/ampac.test +%%PORTDATA%%%%DATADIR%%/test/bucky.xyz +%%PORTDATA%%%%DATADIR%%/test/chemx.test +%%PORTDATA%%%%DATADIR%%/test/complex2.out +%%PORTDATA%%%%DATADIR%%/test/cpeptide.gro +%%PORTDATA%%%%DATADIR%%/test/esp.test +%%PORTDATA%%%%DATADIR%%/test/esp.txt +%%PORTDATA%%%%DATADIR%%/test/esp.xyz +%%PORTDATA%%%%DATADIR%%/test/fragment +%%PORTDATA%%%%DATADIR%%/test/gamess_uk.freq +%%PORTDATA%%%%DATADIR%%/test/gamess_uk.input +%%PORTDATA%%%%DATADIR%%/test/gamess_uk.test1 +%%PORTDATA%%%%DATADIR%%/test/gamess_uk.test2 +%%PORTDATA%%%%DATADIR%%/test/gamess_us.h2o_631g_opt.out +%%PORTDATA%%%%DATADIR%%/test/gamess_us.irc +%%PORTDATA%%%%DATADIR%%/test/gamess_us_uhf_opt +%%PORTDATA%%%%DATADIR%%/test/gaussian.freq +%%PORTDATA%%%%DATADIR%%/test/gaussian.input +%%PORTDATA%%%%DATADIR%%/test/gaussian.test +%%PORTDATA%%%%DATADIR%%/test/jaguar.cube +%%PORTDATA%%%%DATADIR%%/test/molden.ogl +%%PORTDATA%%%%DATADIR%%/test/mopac.freq +%%PORTDATA%%%%DATADIR%%/test/mopac.test +%%PORTDATA%%%%DATADIR%%/test/pdb.test +%%PORTDATA%%%%DATADIR%%/test/pdb.test.omap +%%PORTDATA%%%%DATADIR%%/test/qchem.test +%%PORTDATA%%%%DATADIR%%/test/reacpth.xyz +%%PORTDATA%%%%DATADIR%%/test/shelx.ins +%%PORTDATA%%%%DATADIR%%/test/surface.molf +%%PORTDATA%%%%DATADIR%%/test/test.fdat +%%PORTDATA%%%%DATADIR%%/test/test.mol2 +%%PORTDATA%%%%DATADIR%%/test/test_homo.cube +%%PORTDATA%%%%DATADIR%%/test/tinker_charmm.xyz +%%PORTDATA%%%%DATADIR%%/test/tinker_mm3.xyz +%%PORTDATA%%%%DATADIR%%/test/uracil.fdat +%%PORTDATA%%%%DATADIR%%/test/uracil_gauss.out +%%PORTDATA%%%%DATADIR%%/test/vamp.test +%%PORTDATA%%%%DATADIR%%/utils/INFO +%%PORTDATA%%%%DATADIR%%/utils/ch_backspace +%%PORTDATA%%%%DATADIR%%/utils/ch_mxcon +%%PORTDATA%%%%DATADIR%%/utils/ch_par +%%PORTDATA%%%%DATADIR%%/utils/colors +%%PORTDATA%%%%DATADIR%%/utils/ircextract.awk +%%PORTDATA%%%%DATADIR%%/utils/molden +%%PORTDATA%%%%DATADIR%%/utils/multi_vrml.csh +%%PORTDATA%%%%DATADIR%%/utils/multi_vrml_orbitals.csh +%%PORTDATA%%@dirrm %%DATADIR%%/utils +%%PORTDATA%%@dirrm %%DATADIR%%/test +%%PORTDATA%%@dirrm %%DATADIR%% |