Attachment #112865 for bug #154359

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#

PORTNAME=	tinker
PORTVERSION=	5.1.09
PORTREVISION=	5
CATEGORIES=	biology
MASTER_SITES=	http://dasher.wustl.edu/tinker/downloads/
		ftp://ftp.tw.freebsd.org/pub/ports/distfiles/${PORTNAME}-${PORTVERSION}/ \
		ftp://ftp.uvsq.fr/pub/FreeBSD/ports/distfiles/RESTRICTED/${PORTNAME}-${PORTVERSION}/
DISTNAME=	${PORTNAME}
DIST_SUBDIR=	${PORTNAME}-${PORTVERSION}

MAINTAINER=	ports@FreeBSD.org
COMMENT=	A general purpose molecular modelling package

INSTALL_TARGET=	rename
RESTRICTED=	author requests no distribution except from his FTP site

DOCS=		0README *.pdf *.txt announce/release*
SAMPLES=	0README *.make *.dyn *.int *.frac *.key *.seq *.pdb *.run *.xyz
BENCHES=	0README *.dyn0 *.log *.key *.run *.xyz results*
BENCHES=	README *.dyn0 *.log *.key *.run *.xyz results*

.include <bsd.port.pre.mk>


.endif # i386
.endif

.if defined(WITH_VIEWER)
BUILD_DEPENDS+=	imake:${PORTSDIR}/devel/imake
USE_XORG=	x11 xext xi
PLIST_SUB+=	WITH_VIEWER=""
post-build:
	@${SETENV} ${SCRIPTS_ENV} ${SH} ${SCRIPTDIR}/build_viewer
.else
PLIST_SUB+=	WITH_VIEWER="@comment "
pre-extract:
	@${ECHO_MSG} ""
	@${ECHO_MSG} If you would like to also build
	@${ECHO_MSG} the molecular viewer, define WITH_VIEWER.
	@${ECHO_MSG} ""
.endif

pre-everything::
.if !defined(WITH_OPTIMIZED_FLAGS)
	@${ECHO_MSG} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."

	@${INSTALL_DATA} ${BENCHES:S|^|${WRKDIR}/tinker/bench/|} ${DATADIR}/bench
	@${INSTALL_DATA} ${WRKDIR}/tinker/test/* ${DATADIR}/test
.endif
.if defined(WITH_VIEWER)
	@${MKDIR} ${DATADIR}/rasmol
	@${INSTALL_PROGRAM} ${WRKDIR}/tinker/rasmol/tview-* ${PREFIX}/bin
	@${INSTALL_SCRIPT} ${FILESDIR}/tview ${PREFIX}/bin
	@${INSTALL_DATA} ${WRKDIR}/tinker/rasmol/rasmol.hlp \
		${DATADIR}/rasmol
.endif
	@${ECHO_MSG} ""
	@${ECHO_MSG} "   **********************************************************"
	@${ECHO_MSG} "       The author requests that you return a license form    "

Lines 1-3 Link Here

(-)tinker/distinfo (-3 / +2 lines)
1	MD5 (tinker-4.2.20040908/tinker.tar.gz) = 5618d8a373896f00e452b137200223fd	1	SHA256 (tinker-5.1.09.tar.gz) = 61765adfe260e3f3083243542dac49d38141191d5d6580e9a66a29c31d5a3183
2	SHA256 (tinker-4.2.20040908/tinker.tar.gz) = ad0cc9782dabdb0cce490fe26508761a36078e741f019090cbaa3e6cacf71055	2	SIZE (tinker-5.1.09.tar.gz) = 14071638
3	SIZE (tinker-4.2.20040908/tinker.tar.gz) = 8177555




--- ../make/Makefile.orig	2010-08-25 00:58:16.000000000 +0400
+++ ../make/Makefile	2011-01-22 01:12:41.000000000 +0300
@@ -9,8 +9,8 @@
 ##
 ##   1. make all              Build all the TINKER executables

 ##  LINKDIR      Linked Copies of TINKER Executables
 ##
 
-TINKERDIR = /Users/ponder/tinker
-BINDIR = $(TINKERDIR)/bin
-LINKDIR = /usr/local/bin
+TINKERDIR = ${WRKDIR}

 
 ####################################################################
 ##  Known Machine Types; Uncomment One of the Following Sections  ##
@@ -40,6 +40,20 @@
 ####################################################################
 #LINKFLAGS =
 
 ##
+##  Machine:  IntelPC / FreeBSD
+##  CPU Type: Intel, AMD, Cyrix
+##  Oper Sys: FreeBSD 4.2

+OPTFLAGS = 
+LIBFLAGS = -rcuv
+
+##
 ##  Machine:  Generic Linux
 ##  CPU Type: Intel x86 Compatible
 ##  Oper Sys: Fedora Core
@@ -102,12 +116,12 @@
 ##  Compiler: Intel Fortran for Mac 11
 ##
 
-F77 = /opt/intel/Compiler/11.1/058/bin/intel64/ifort
-LIBS =
-F77FLAGS = -c -axSSSE3 -vec-report0
-OPTFLAGS = -O3 -no-ipo -no-prec-div
-LIBFLAGS = -crusv
-LINKFLAGS = -static-intel -mmacosx-version-min=10.4
+#F77 = /opt/intel/Compiler/11.1/058/bin/intel64/ifort
+#LIBS =
+#F77FLAGS = -c -axSSSE3 -vec-report0
+#OPTFLAGS = -O3 -no-ipo -no-prec-div
+#LIBFLAGS = -crusv
+#LINKFLAGS = -static-intel -mmacosx-version-min=10.4
 
 ##
 ##  Machine:  Macintosh (PPC)
@@ -584,6 +598,8 @@
            xyzpdb.x \
            xyzsybyl.x
 

 .f.o:
 	${F77} ${F77FLAGS} ${OPTFLAGS} $*.f 
 
@@ -596,8 +612,8 @@
 server.o:
 	${F77} ${F77FLAGS} ${OPTFLAGS} server.f
 
-%.x: %.o libtinker.a
-	${F77} ${LINKFLAGS} -o $@ $^ ${LIBS}
+.o.x: libtinker.a

 
 all:	${EXEFILES}
 
@@ -608,63 +624,63 @@
 	cat *.i *.f > tinker.txt
 
 rename:

-	mv  path.x       $(BINDIR)/path
-	mv  pdbxyz.x     $(BINDIR)/pdbxyz
-	mv  polarize.x   $(BINDIR)/polarize
-	mv  poledit.x    $(BINDIR)/poledit
-	mv  potential.x  $(BINDIR)/potential
-	mv  prmedit.x    $(BINDIR)/prmedit
-	mv  protein.x    $(BINDIR)/protein
-	mv  pss.x        $(BINDIR)/pss

-	mv  sybylxyz.x   $(BINDIR)/sybylxyz
-	mv  testgrad.x   $(BINDIR)/testgrad
-	mv  testhess.x   $(BINDIR)/testhess
-	mv  testpair.x   $(BINDIR)/testpair
-	mv  testrot.x    $(BINDIR)/testrot
-	mv  timer.x      $(BINDIR)/timer
-	mv  timerot.x    $(BINDIR)/timerot
-	mv  valence.x    $(BINDIR)/valence
-	mv  vibbig.x     $(BINDIR)/vibbig
-	mv  vibrate.x    $(BINDIR)/vibrate
-	mv  vibrot.x     $(BINDIR)/vibrot
-	mv  xtalfit.x    $(BINDIR)/xtalfit

+	${INSTALL_PROGRAM}  path.x       $(BINDIR)/path
+	${INSTALL_PROGRAM}  pdbxyz.x     $(BINDIR)/pdbxyz
+	${INSTALL_PROGRAM}  polarize.x   $(BINDIR)/polarize
+	${INSTALL_PROGRAM}  poledit.x    $(BINDIR)/poledit
+	${INSTALL_PROGRAM}  potential.x  $(BINDIR)/potential
+	${INSTALL_PROGRAM}  prmedit.x    $(BINDIR)/prmedit
+	${INSTALL_PROGRAM}  protein.x    $(BINDIR)/protein
+	${INSTALL_PROGRAM}  pss.x        $(BINDIR)/pss

+	${INSTALL_PROGRAM}  sybylxyz.x   $(BINDIR)/sybylxyz
+	${INSTALL_PROGRAM}  testgrad.x   $(BINDIR)/testgrad
+	${INSTALL_PROGRAM}  testhess.x   $(BINDIR)/testhess
+	${INSTALL_PROGRAM}  testpair.x   $(BINDIR)/testpair
+	${INSTALL_PROGRAM}  testrot.x    $(BINDIR)/testrot
+	${INSTALL_PROGRAM}  timer.x      $(BINDIR)/timer
+	${INSTALL_PROGRAM}  timerot.x    $(BINDIR)/timerot
+	${INSTALL_PROGRAM}  valence.x    $(BINDIR)/valence
+	${INSTALL_PROGRAM}  vibbig.x     $(BINDIR)/vibbig
+	${INSTALL_PROGRAM}  vibrate.x    $(BINDIR)/vibrate
+	${INSTALL_PROGRAM}  vibrot.x     $(BINDIR)/vibrot
+	${INSTALL_PROGRAM}  xtalfit.x    $(BINDIR)/xtalfit

Lines 1-7 Link Here

(-)tinker/files/patch-al (-4 / +4 lines)
1	--- ../bench/bench5.run.orig Tue Jul 24 14:02:20 2001	1	--- ../bench/bench5.run.orig 2010-08-25 00:58:15.000000000 +0400
2	+++ ../bench/bench5.run Wed Sep 5 14:03:07 2001	2	+++ ../bench/bench5.run 2011-01-26 23:35:18.000000000 +0300
3	@@ -1,3 +1,3 @@	3	@@ -1,3 +1,3 @@
4	cp bench5.dyn0 bench5.dyn	4	cp bench5.dyn0 bench5.dyn
5	-time ../bin/dynamic bench5 100 1.0 10.0 2 298.0	5	-time ../bin/dynamic bench5 1000 1.0 10.0 2 298.0
6	+time dynamic bench5 100 1.0 10.0 2 298.0	6	+time dynamic bench5 1000 1.0 10.0 2 298.0
7	rm bench5.dyn	7	rm bench5.dyn




#!/bin/sh

# Determine if X is running
if [ -z $DISPLAY ]; then
	echo You must be running X for this.
else
# Try to determine the color depth of the X server

	DEPTH=`xwininfo -root | grep Depth | awk '{print $2}'`

	if [ $DEPTH = 24 -o $DEPTH = 32 ]; then
		PROGRAM=tview-32
	elif [ $DEPTH = 16 ]; then
		PROGRAM=tview-16
	elif [ $DEPTH = 8 ]; then
		PROGRAM=tview-8
	else
		echo Can not determine color depth of Display $DISPLAY
	fi
	exec $PROGRAM $@
fi

Lines 24-29 Link Here

(-)tinker/pkg-plist (-348 / +452 lines)
24	bin/path	24	bin/path
25	bin/pdbxyz	25	bin/pdbxyz
26	bin/polarize	26	bin/polarize
		27	bin/poledit
		28	bin/potential
27	bin/prmedit	29	bin/prmedit
28	bin/protein	30	bin/protein
29	bin/pss	31	bin/pss
Lines 39-52 Link Here
39	bin/sybylxyz	41	bin/sybylxyz
40	bin/testgrad	42	bin/testgrad
41	bin/testhess	43	bin/testhess
42	bin/testlight	44	bin/testpair
43	bin/testrot	45	bin/testrot
44	bin/timer	46	bin/timer
45	bin/timerot	47	bin/timerot
46	%%WITH_VIEWER%%bin/tview	48	bin/valence
47	%%WITH_VIEWER%%bin/tview-8	49	bin/vibbig
48	%%WITH_VIEWER%%bin/tview-16
49	%%WITH_VIEWER%%bin/tview-32
50	bin/vibrate	50	bin/vibrate
51	bin/vibrot	51	bin/vibrot
52	bin/xtalfit	52	bin/xtalfit
Lines 55-61 Link Here
55	bin/xyzint	55	bin/xyzint
56	bin/xyzpdb	56	bin/xyzpdb
57	bin/xyzsybyl	57	bin/xyzsybyl
58	%%PORTDOCS%%%%DOCSDIR%%/README	58	%%PORTDOCS%%%%DOCSDIR%%/0README
59	%%PORTDOCS%%%%DOCSDIR%%/ffe-guide.pdf	59	%%PORTDOCS%%%%DOCSDIR%%/ffe-guide.pdf
60	%%PORTDOCS%%%%DOCSDIR%%/guide.pdf	60	%%PORTDOCS%%%%DOCSDIR%%/guide.pdf
61	%%PORTDOCS%%%%DOCSDIR%%/guide.txt	61	%%PORTDOCS%%%%DOCSDIR%%/guide.txt
Lines 71-124 Link Here
71	%%PORTDOCS%%%%DOCSDIR%%/release-4.2	71	%%PORTDOCS%%%%DOCSDIR%%/release-4.2
72	%%PORTDOCS%%%%DOCSDIR%%/summary.pdf	72	%%PORTDOCS%%%%DOCSDIR%%/summary.pdf
73	%%PORTDOCS%%%%DOCSDIR%%/summary.txt	73	%%PORTDOCS%%%%DOCSDIR%%/summary.txt
74	%%PORTDOCS%%share/examples/tinker/README	74	%%PORTDOCS%%%%EXAMPLESDIR%%/0README
75	%%PORTDOCS%%share/examples/tinker/anion.dat	75	%%PORTDOCS%%%%EXAMPLESDIR%%/alatet.int
76	%%PORTDOCS%%share/examples/tinker/anion.dyn0	76	%%PORTDOCS%%%%EXAMPLESDIR%%/alatet.key
77	%%PORTDOCS%%share/examples/tinker/anion.key	77	%%PORTDOCS%%%%EXAMPLESDIR%%/alatet.seq
78	%%PORTDOCS%%share/examples/tinker/anion.log	78	%%PORTDOCS%%%%EXAMPLESDIR%%/alatet.xyz
79	%%PORTDOCS%%share/examples/tinker/anion.run	79	%%PORTDOCS%%%%EXAMPLESDIR%%/alkane.key
80	%%PORTDOCS%%share/examples/tinker/anion.xyz	80	%%PORTDOCS%%%%EXAMPLESDIR%%/alkane.xyz
81	%%PORTDOCS%%share/examples/tinker/argon.1st	81	%%PORTDOCS%%%%EXAMPLESDIR%%/ammonia.key
82	%%PORTDOCS%%share/examples/tinker/argon.key	82	%%PORTDOCS%%%%EXAMPLESDIR%%/ammonia.xyz
83	%%PORTDOCS%%share/examples/tinker/argon.log	83	%%PORTDOCS%%%%EXAMPLESDIR%%/amoeba.key
84	%%PORTDOCS%%share/examples/tinker/argon.run	84	%%PORTDOCS%%%%EXAMPLESDIR%%/amoeba.xyz
85	%%PORTDOCS%%share/examples/tinker/clean.make	85	%%PORTDOCS%%%%EXAMPLESDIR%%/arach.int
86	%%PORTDOCS%%share/examples/tinker/cluster.dat	86	%%PORTDOCS%%%%EXAMPLESDIR%%/arach.key
87	%%PORTDOCS%%share/examples/tinker/cluster.key	87	%%PORTDOCS%%%%EXAMPLESDIR%%/arach.xyz
88	%%PORTDOCS%%share/examples/tinker/cluster.log	88	%%PORTDOCS%%%%EXAMPLESDIR%%/azulene.int
89	%%PORTDOCS%%share/examples/tinker/cluster.run	89	%%PORTDOCS%%%%EXAMPLESDIR%%/azulene.key
90	%%PORTDOCS%%share/examples/tinker/cluster.xyz	90	%%PORTDOCS%%%%EXAMPLESDIR%%/azulene.xyz
91	%%PORTDOCS%%share/examples/tinker/crambin.key	91	%%PORTDOCS%%%%EXAMPLESDIR%%/bdna.int
92	%%PORTDOCS%%share/examples/tinker/crambin.log	92	%%PORTDOCS%%%%EXAMPLESDIR%%/bdna.key
93	%%PORTDOCS%%share/examples/tinker/crambin.pdb	93	%%PORTDOCS%%%%EXAMPLESDIR%%/bdna.make
94	%%PORTDOCS%%share/examples/tinker/crambin.run	94	%%PORTDOCS%%%%EXAMPLESDIR%%/bdna.pdb
95	%%PORTDOCS%%share/examples/tinker/cyclohex.boat	95	%%PORTDOCS%%%%EXAMPLESDIR%%/bdna.seq
96	%%PORTDOCS%%share/examples/tinker/cyclohex.chair	96	%%PORTDOCS%%%%EXAMPLESDIR%%/bdna.xyz
97	%%PORTDOCS%%share/examples/tinker/cyclohex.key	97	%%PORTDOCS%%%%EXAMPLESDIR%%/bearing.key
98	%%PORTDOCS%%share/examples/tinker/cyclohex.log	98	%%PORTDOCS%%%%EXAMPLESDIR%%/bearing.xyz
99	%%PORTDOCS%%share/examples/tinker/cyclohex.run	99	%%PORTDOCS%%%%EXAMPLESDIR%%/bearing2.key
100	%%PORTDOCS%%share/examples/tinker/dialanine.key	100	%%PORTDOCS%%%%EXAMPLESDIR%%/benzamidine.key
101	%%PORTDOCS%%share/examples/tinker/dialanine.log	101	%%PORTDOCS%%%%EXAMPLESDIR%%/benzamidine.xyz
102	%%PORTDOCS%%share/examples/tinker/dialanine.run	102	%%PORTDOCS%%%%EXAMPLESDIR%%/benzbox.key
103	%%PORTDOCS%%share/examples/tinker/dialanine.xyz	103	%%PORTDOCS%%%%EXAMPLESDIR%%/benzbox.xyz
104	%%PORTDOCS%%share/examples/tinker/enkephalin.dat	104	%%PORTDOCS%%%%EXAMPLESDIR%%/benzene.int
105	%%PORTDOCS%%share/examples/tinker/enkephalin.key	105	%%PORTDOCS%%%%EXAMPLESDIR%%/benzene.key
106	%%PORTDOCS%%share/examples/tinker/enkephalin.log	106	%%PORTDOCS%%%%EXAMPLESDIR%%/benzene.xyz
107	%%PORTDOCS%%share/examples/tinker/enkephalin.run	107	%%PORTDOCS%%%%EXAMPLESDIR%%/bowl.int
108	%%PORTDOCS%%share/examples/tinker/formamide.cell	108	%%PORTDOCS%%%%EXAMPLESDIR%%/bowl.key
109	%%PORTDOCS%%share/examples/tinker/formamide.dat	109	%%PORTDOCS%%%%EXAMPLESDIR%%/bowl.xyz
110	%%PORTDOCS%%share/examples/tinker/formamide.key	110	%%PORTDOCS%%%%EXAMPLESDIR%%/bowl2.key
111	%%PORTDOCS%%share/examples/tinker/formamide.log	111	%%PORTDOCS%%%%EXAMPLESDIR%%/bowl2.xyz
112	%%PORTDOCS%%share/examples/tinker/formamide.run	112	%%PORTDOCS%%%%EXAMPLESDIR%%/bowl3.key
113	%%PORTDOCS%%share/examples/tinker/helix.1st	113	%%PORTDOCS%%%%EXAMPLESDIR%%/bowl3.xyz
114	%%PORTDOCS%%share/examples/tinker/helix.key	114	%%PORTDOCS%%%%EXAMPLESDIR%%/bucky.int
115	%%PORTDOCS%%share/examples/tinker/helix.log	115	%%PORTDOCS%%%%EXAMPLESDIR%%/bucky.key
116	%%PORTDOCS%%share/examples/tinker/helix.run	116	%%PORTDOCS%%%%EXAMPLESDIR%%/bucky.xyz
117	%%PORTDOCS%%share/examples/tinker/salt.cell	117	%%PORTDOCS%%%%EXAMPLESDIR%%/butane.int
118	%%PORTDOCS%%share/examples/tinker/salt.key	118	%%PORTDOCS%%%%EXAMPLESDIR%%/butane.key
119	%%PORTDOCS%%share/examples/tinker/salt.log	119	%%PORTDOCS%%%%EXAMPLESDIR%%/butane.xyz
120	%%PORTDOCS%%share/examples/tinker/salt.run	120	%%PORTDOCS%%%%EXAMPLESDIR%%/butane2.int
121	%%PORTDOCS%%%%DATADIR%%/bench/README	121	%%PORTDOCS%%%%EXAMPLESDIR%%/butane2.key
		122	%%PORTDOCS%%%%EXAMPLESDIR%%/butane2.xyz
		123	%%PORTDOCS%%%%EXAMPLESDIR%%/butanes.dyn
		124	%%PORTDOCS%%%%EXAMPLESDIR%%/butanes.key
		125	%%PORTDOCS%%%%EXAMPLESDIR%%/butanes.xyz
		126	%%PORTDOCS%%%%EXAMPLESDIR%%/butanex.key
		127	%%PORTDOCS%%%%EXAMPLESDIR%%/butanex.xyz
		128	%%PORTDOCS%%%%EXAMPLESDIR%%/butopls.int
		129	%%PORTDOCS%%%%EXAMPLESDIR%%/butopls.key
		130	%%PORTDOCS%%%%EXAMPLESDIR%%/butopls.xyz
		131	%%PORTDOCS%%%%EXAMPLESDIR%%/butopls2.int
		132	%%PORTDOCS%%%%EXAMPLESDIR%%/butopls2.key
		133	%%PORTDOCS%%%%EXAMPLESDIR%%/butopls2.xyz
		134	%%PORTDOCS%%%%EXAMPLESDIR%%/c5.int
		135	%%PORTDOCS%%%%EXAMPLESDIR%%/c5.key
		136	%%PORTDOCS%%%%EXAMPLESDIR%%/c5.seq
		137	%%PORTDOCS%%%%EXAMPLESDIR%%/c5.xyz
		138	%%PORTDOCS%%%%EXAMPLESDIR%%/c7a.int
		139	%%PORTDOCS%%%%EXAMPLESDIR%%/c7a.key
		140	%%PORTDOCS%%%%EXAMPLESDIR%%/c7a.seq
		141	%%PORTDOCS%%%%EXAMPLESDIR%%/c7a.xyz
		142	%%PORTDOCS%%%%EXAMPLESDIR%%/c7e.int
		143	%%PORTDOCS%%%%EXAMPLESDIR%%/c7e.key
		144	%%PORTDOCS%%%%EXAMPLESDIR%%/c7e.seq
		145	%%PORTDOCS%%%%EXAMPLESDIR%%/c7e.xyz
		146	%%PORTDOCS%%%%EXAMPLESDIR%%/calmodulin.key
		147	%%PORTDOCS%%%%EXAMPLESDIR%%/calmodulin.pdb
		148	%%PORTDOCS%%%%EXAMPLESDIR%%/calmodulin.seq
		149	%%PORTDOCS%%%%EXAMPLESDIR%%/calmodulin.xyz
		150	%%PORTDOCS%%%%EXAMPLESDIR%%/cawater.key
		151	%%PORTDOCS%%%%EXAMPLESDIR%%/cawater.xyz
		152	%%PORTDOCS%%%%EXAMPLESDIR%%/copper.key
		153	%%PORTDOCS%%%%EXAMPLESDIR%%/copper.xyz
		154	%%PORTDOCS%%%%EXAMPLESDIR%%/cpentene.key
		155	%%PORTDOCS%%%%EXAMPLESDIR%%/cpentene.xyz
		156	%%PORTDOCS%%%%EXAMPLESDIR%%/crambin.key
		157	%%PORTDOCS%%%%EXAMPLESDIR%%/crambin.pdb
		158	%%PORTDOCS%%%%EXAMPLESDIR%%/crambin.seq
		159	%%PORTDOCS%%%%EXAMPLESDIR%%/crambin.xyz
		160	%%PORTDOCS%%%%EXAMPLESDIR%%/crambinx.key
		161	%%PORTDOCS%%%%EXAMPLESDIR%%/crambinx.xyz
		162	%%PORTDOCS%%%%EXAMPLESDIR%%/crown.int
		163	%%PORTDOCS%%%%EXAMPLESDIR%%/crown.key
		164	%%PORTDOCS%%%%EXAMPLESDIR%%/crown.xyz
		165	%%PORTDOCS%%%%EXAMPLESDIR%%/cychept.int
		166	%%PORTDOCS%%%%EXAMPLESDIR%%/cychept.key
		167	%%PORTDOCS%%%%EXAMPLESDIR%%/cychept.xyz
		168	%%PORTDOCS%%%%EXAMPLESDIR%%/cyclo.int
		169	%%PORTDOCS%%%%EXAMPLESDIR%%/cyclo.key
		170	%%PORTDOCS%%%%EXAMPLESDIR%%/cyclo.xyz
		171	%%PORTDOCS%%%%EXAMPLESDIR%%/cyclo2.int
		172	%%PORTDOCS%%%%EXAMPLESDIR%%/cyclo2.key
		173	%%PORTDOCS%%%%EXAMPLESDIR%%/cyclo2.xyz
		174	%%PORTDOCS%%%%EXAMPLESDIR%%/cycprop.key
		175	%%PORTDOCS%%%%EXAMPLESDIR%%/cycprop.xyz
		176	%%PORTDOCS%%%%EXAMPLESDIR%%/dang.key
		177	%%PORTDOCS%%%%EXAMPLESDIR%%/dang.xyz
		178	%%PORTDOCS%%%%EXAMPLESDIR%%/deltorphin.int
		179	%%PORTDOCS%%%%EXAMPLESDIR%%/deltorphin.key
		180	%%PORTDOCS%%%%EXAMPLESDIR%%/deltorphin.make
		181	%%PORTDOCS%%%%EXAMPLESDIR%%/deltorphin.seq
		182	%%PORTDOCS%%%%EXAMPLESDIR%%/deltorphin.xyz
		183	%%PORTDOCS%%%%EXAMPLESDIR%%/dhfr.key
		184	%%PORTDOCS%%%%EXAMPLESDIR%%/dhfr.run
		185	%%PORTDOCS%%%%EXAMPLESDIR%%/dhfr.seq
186	%%PORTDOCS%%%%EXAMPLESDIR%%/dhfr.xyz
187	%%PORTDOCS%%%%EXAMPLESDIR%%/dhfr2.key
188	%%PORTDOCS%%%%EXAMPLESDIR%%/dhfr2.run
189	%%PORTDOCS%%%%EXAMPLESDIR%%/dhfr2.seq
190	%%PORTDOCS%%%%EXAMPLESDIR%%/dhfr2.xyz
191	%%PORTDOCS%%%%EXAMPLESDIR%%/diamond.key
192	%%PORTDOCS%%%%EXAMPLESDIR%%/diamond.xyz
193	%%PORTDOCS%%%%EXAMPLESDIR%%/diene.int
194	%%PORTDOCS%%%%EXAMPLESDIR%%/diene.key
195	%%PORTDOCS%%%%EXAMPLESDIR%%/diene.xyz
196	%%PORTDOCS%%%%EXAMPLESDIR%%/dimethane.key
197	%%PORTDOCS%%%%EXAMPLESDIR%%/dimethane.xyz
198	%%PORTDOCS%%%%EXAMPLESDIR%%/dmp.key
199	%%PORTDOCS%%%%EXAMPLESDIR%%/dmp.xyz
200	%%PORTDOCS%%%%EXAMPLESDIR%%/enkephalin.int
201	%%PORTDOCS%%%%EXAMPLESDIR%%/enkephalin.key
202	%%PORTDOCS%%%%EXAMPLESDIR%%/enkephalin.make
203	%%PORTDOCS%%%%EXAMPLESDIR%%/enkephalin.seq
204	%%PORTDOCS%%%%EXAMPLESDIR%%/enkephalin.xyz
205	%%PORTDOCS%%%%EXAMPLESDIR%%/ermer.int
206	%%PORTDOCS%%%%EXAMPLESDIR%%/ermer.key
207	%%PORTDOCS%%%%EXAMPLESDIR%%/ermer.xyz
208	%%PORTDOCS%%%%EXAMPLESDIR%%/ester.key
209	%%PORTDOCS%%%%EXAMPLESDIR%%/ester.xyz
210	%%PORTDOCS%%%%EXAMPLESDIR%%/ethane.int
211	%%PORTDOCS%%%%EXAMPLESDIR%%/ethane.key
212	%%PORTDOCS%%%%EXAMPLESDIR%%/ethane.xyz
213	%%PORTDOCS%%%%EXAMPLESDIR%%/ethanol.int
214	%%PORTDOCS%%%%EXAMPLESDIR%%/ethanol.key
215	%%PORTDOCS%%%%EXAMPLESDIR%%/ethanol.xyz
216	%%PORTDOCS%%%%EXAMPLESDIR%%/ether.key
217	%%PORTDOCS%%%%EXAMPLESDIR%%/ether.xyz
218	%%PORTDOCS%%%%EXAMPLESDIR%%/etherbox.dyn
219	%%PORTDOCS%%%%EXAMPLESDIR%%/etherbox.key
220	%%PORTDOCS%%%%EXAMPLESDIR%%/etherbox.xyz
221	%%PORTDOCS%%%%EXAMPLESDIR%%/ethylene.int
222	%%PORTDOCS%%%%EXAMPLESDIR%%/ethylene.key
223	%%PORTDOCS%%%%EXAMPLESDIR%%/ethylene.xyz
224	%%PORTDOCS%%%%EXAMPLESDIR%%/flane.int
225	%%PORTDOCS%%%%EXAMPLESDIR%%/flane.key
226	%%PORTDOCS%%%%EXAMPLESDIR%%/flane.xyz
227	%%PORTDOCS%%%%EXAMPLESDIR%%/form.key
228	%%PORTDOCS%%%%EXAMPLESDIR%%/form.xyz
229	%%PORTDOCS%%%%EXAMPLESDIR%%/formbig.key
230	%%PORTDOCS%%%%EXAMPLESDIR%%/formbig.xyz
231	%%PORTDOCS%%%%EXAMPLESDIR%%/formbox.dyn
232	%%PORTDOCS%%%%EXAMPLESDIR%%/formbox.key
233	%%PORTDOCS%%%%EXAMPLESDIR%%/formbox.xyz
234	%%PORTDOCS%%%%EXAMPLESDIR%%/formopls.dyn
235	%%PORTDOCS%%%%EXAMPLESDIR%%/formopls.key
236	%%PORTDOCS%%%%EXAMPLESDIR%%/formopls.xyz
237	%%PORTDOCS%%%%EXAMPLESDIR%%/furan.int
238	%%PORTDOCS%%%%EXAMPLESDIR%%/furan.key
239	%%PORTDOCS%%%%EXAMPLESDIR%%/furan.xyz
240	%%PORTDOCS%%%%EXAMPLESDIR%%/glucose.key
241	%%PORTDOCS%%%%EXAMPLESDIR%%/glucose.xyz
242	%%PORTDOCS%%%%EXAMPLESDIR%%/glycerol.dyn
243	%%PORTDOCS%%%%EXAMPLESDIR%%/glycerol.key
244	%%PORTDOCS%%%%EXAMPLESDIR%%/glycerol.xyz
245	%%PORTDOCS%%%%EXAMPLESDIR%%/graphite.key
246	%%PORTDOCS%%%%EXAMPLESDIR%%/graphite.xyz
247	%%PORTDOCS%%%%EXAMPLESDIR%%/helix.dyn
248	%%PORTDOCS%%%%EXAMPLESDIR%%/helix.key
249	%%PORTDOCS%%%%EXAMPLESDIR%%/helix.xyz
250	%%PORTDOCS%%%%EXAMPLESDIR%%/heme.key
251	%%PORTDOCS%%%%EXAMPLESDIR%%/heme.xyz
252	%%PORTDOCS%%%%EXAMPLESDIR%%/hexane.int
253	%%PORTDOCS%%%%EXAMPLESDIR%%/hexane.key
254	%%PORTDOCS%%%%EXAMPLESDIR%%/hexane.xyz
255	%%PORTDOCS%%%%EXAMPLESDIR%%/hexanes.dyn
256	%%PORTDOCS%%%%EXAMPLESDIR%%/hexanes.key
257	%%PORTDOCS%%%%EXAMPLESDIR%%/hexanes.xyz
258	%%PORTDOCS%%%%EXAMPLESDIR%%/imidazole.int
259	%%PORTDOCS%%%%EXAMPLESDIR%%/imidazole.key
260	%%PORTDOCS%%%%EXAMPLESDIR%%/imidazole.xyz
261	%%PORTDOCS%%%%EXAMPLESDIR%%/imine.int
262	%%PORTDOCS%%%%EXAMPLESDIR%%/imine.key
263	%%PORTDOCS%%%%EXAMPLESDIR%%/imine.xyz
264	%%PORTDOCS%%%%EXAMPLESDIR%%/indole.key
265	%%PORTDOCS%%%%EXAMPLESDIR%%/indole.xyz
266	%%PORTDOCS%%%%EXAMPLESDIR%%/lactam.key
267	%%PORTDOCS%%%%EXAMPLESDIR%%/lactam.xyz
268	%%PORTDOCS%%%%EXAMPLESDIR%%/lipid.key
269	%%PORTDOCS%%%%EXAMPLESDIR%%/lipid.xyz
270	%%PORTDOCS%%%%EXAMPLESDIR%%/lj38.key
271	%%PORTDOCS%%%%EXAMPLESDIR%%/lj38.xyz
272	%%PORTDOCS%%%%EXAMPLESDIR%%/melittin.key
273	%%PORTDOCS%%%%EXAMPLESDIR%%/melittin.pdb
274	%%PORTDOCS%%%%EXAMPLESDIR%%/melittin.seq
275	%%PORTDOCS%%%%EXAMPLESDIR%%/melittin.xyz
276	%%PORTDOCS%%%%EXAMPLESDIR%%/membrane.key
277	%%PORTDOCS%%%%EXAMPLESDIR%%/membrane.xyz
278	%%PORTDOCS%%%%EXAMPLESDIR%%/meohbox.dyn
279	%%PORTDOCS%%%%EXAMPLESDIR%%/meohbox.key
280	%%PORTDOCS%%%%EXAMPLESDIR%%/meohbox.xyz
281	%%PORTDOCS%%%%EXAMPLESDIR%%/methane.int
282	%%PORTDOCS%%%%EXAMPLESDIR%%/methane.key
283	%%PORTDOCS%%%%EXAMPLESDIR%%/methane.xyz
284	%%PORTDOCS%%%%EXAMPLESDIR%%/methanol.key
285	%%PORTDOCS%%%%EXAMPLESDIR%%/methanol.xyz
286	%%PORTDOCS%%%%EXAMPLESDIR%%/mgwater.key
287	%%PORTDOCS%%%%EXAMPLESDIR%%/mgwater.xyz
288	%%PORTDOCS%%%%EXAMPLESDIR%%/mm3.key
289	%%PORTDOCS%%%%EXAMPLESDIR%%/mm3.xyz
290	%%PORTDOCS%%%%EXAMPLESDIR%%/nacl.key
291	%%PORTDOCS%%%%EXAMPLESDIR%%/nacl.xyz
292	%%PORTDOCS%%%%EXAMPLESDIR%%/nada.key
293	%%PORTDOCS%%%%EXAMPLESDIR%%/nada.xyz
294	%%PORTDOCS%%%%EXAMPLESDIR%%/naphthalene.int
295	%%PORTDOCS%%%%EXAMPLESDIR%%/naphthalene.key
296	%%PORTDOCS%%%%EXAMPLESDIR%%/naphthalene.xyz
297	%%PORTDOCS%%%%EXAMPLESDIR%%/naphthax.frac
298	%%PORTDOCS%%%%EXAMPLESDIR%%/naphthax.key
299	%%PORTDOCS%%%%EXAMPLESDIR%%/naphthax.xyz
300	%%PORTDOCS%%%%EXAMPLESDIR%%/nitrogen.dyn
301	%%PORTDOCS%%%%EXAMPLESDIR%%/nitrogen.key
302	%%PORTDOCS%%%%EXAMPLESDIR%%/nitrogen.xyz
303	%%PORTDOCS%%%%EXAMPLESDIR%%/nma.int
304	%%PORTDOCS%%%%EXAMPLESDIR%%/nma.key
305	%%PORTDOCS%%%%EXAMPLESDIR%%/nma.xyz
306	%%PORTDOCS%%%%EXAMPLESDIR%%/nmabox.dyn
307	%%PORTDOCS%%%%EXAMPLESDIR%%/nmabox.key
308	%%PORTDOCS%%%%EXAMPLESDIR%%/nmabox.xyz
309	%%PORTDOCS%%%%EXAMPLESDIR%%/nmf.key
310	%%PORTDOCS%%%%EXAMPLESDIR%%/nmf.xyz
311	%%PORTDOCS%%%%EXAMPLESDIR%%/nstilbene.int
312	%%PORTDOCS%%%%EXAMPLESDIR%%/nstilbene.key
313	%%PORTDOCS%%%%EXAMPLESDIR%%/nstilbene.xyz
314	%%PORTDOCS%%%%EXAMPLESDIR%%/octane.int
315	%%PORTDOCS%%%%EXAMPLESDIR%%/octane.key
316	%%PORTDOCS%%%%EXAMPLESDIR%%/octane.xyz
317	%%PORTDOCS%%%%EXAMPLESDIR%%/octane2.int
318	%%PORTDOCS%%%%EXAMPLESDIR%%/octane2.key
319	%%PORTDOCS%%%%EXAMPLESDIR%%/octane2.xyz
320	%%PORTDOCS%%%%EXAMPLESDIR%%/octene.key
321	%%PORTDOCS%%%%EXAMPLESDIR%%/octene.xyz
322	%%PORTDOCS%%%%EXAMPLESDIR%%/palmitate.int
323	%%PORTDOCS%%%%EXAMPLESDIR%%/palmitate.key
324	%%PORTDOCS%%%%EXAMPLESDIR%%/palmitate.xyz
325	%%PORTDOCS%%%%EXAMPLESDIR%%/pentane.frac
326	%%PORTDOCS%%%%EXAMPLESDIR%%/pentane.key
327	%%PORTDOCS%%%%EXAMPLESDIR%%/pentane.xyz
328	%%PORTDOCS%%%%EXAMPLESDIR%%/peptide.int
329	%%PORTDOCS%%%%EXAMPLESDIR%%/peptide.key
330	%%PORTDOCS%%%%EXAMPLESDIR%%/peptide.make
331	%%PORTDOCS%%%%EXAMPLESDIR%%/peptide.pdb
332	%%PORTDOCS%%%%EXAMPLESDIR%%/peptide.seq
333	%%PORTDOCS%%%%EXAMPLESDIR%%/peptide.xyz
334	%%PORTDOCS%%%%EXAMPLESDIR%%/phenanth.key
335	%%PORTDOCS%%%%EXAMPLESDIR%%/phenanth.xyz
336	%%PORTDOCS%%%%EXAMPLESDIR%%/photo.key
337	%%PORTDOCS%%%%EXAMPLESDIR%%/photo.seq
338	%%PORTDOCS%%%%EXAMPLESDIR%%/photo.xyz
339	%%PORTDOCS%%%%EXAMPLESDIR%%/pol3.key
340	%%PORTDOCS%%%%EXAMPLESDIR%%/pol3.xyz
341	%%PORTDOCS%%%%EXAMPLESDIR%%/polyala.key
342	%%PORTDOCS%%%%EXAMPLESDIR%%/polyala.xyz
343	%%PORTDOCS%%%%EXAMPLESDIR%%/propane.key
344	%%PORTDOCS%%%%EXAMPLESDIR%%/propane.xyz
345	%%PORTDOCS%%%%EXAMPLESDIR%%/propellane.int
346	%%PORTDOCS%%%%EXAMPLESDIR%%/propellane.key
347	%%PORTDOCS%%%%EXAMPLESDIR%%/propellane.xyz
348	%%PORTDOCS%%%%EXAMPLESDIR%%/propyne.key
349	%%PORTDOCS%%%%EXAMPLESDIR%%/propyne.xyz
350	%%PORTDOCS%%%%EXAMPLESDIR%%/pyridine.int
351	%%PORTDOCS%%%%EXAMPLESDIR%%/pyridine.key
352	%%PORTDOCS%%%%EXAMPLESDIR%%/pyridine.xyz
353	%%PORTDOCS%%%%EXAMPLESDIR%%/pyrrole.int
354	%%PORTDOCS%%%%EXAMPLESDIR%%/pyrrole.key
355	%%PORTDOCS%%%%EXAMPLESDIR%%/pyrrole.xyz
356	%%PORTDOCS%%%%EXAMPLESDIR%%/retinoic.key
357	%%PORTDOCS%%%%EXAMPLESDIR%%/retinoic.xyz
358	%%PORTDOCS%%%%EXAMPLESDIR%%/skunk.key
359	%%PORTDOCS%%%%EXAMPLESDIR%%/skunk.xyz
360	%%PORTDOCS%%%%EXAMPLESDIR%%/spc.key
361	%%PORTDOCS%%%%EXAMPLESDIR%%/spc.xyz
362	%%PORTDOCS%%%%EXAMPLESDIR%%/sterol.key
363	%%PORTDOCS%%%%EXAMPLESDIR%%/sterol.xyz
364	%%PORTDOCS%%%%EXAMPLESDIR%%/styrene.int
365	%%PORTDOCS%%%%EXAMPLESDIR%%/styrene.key
366	%%PORTDOCS%%%%EXAMPLESDIR%%/styrene.xyz
367	%%PORTDOCS%%%%EXAMPLESDIR%%/terphenyl.key
368	%%PORTDOCS%%%%EXAMPLESDIR%%/terphenyl.xyz
369	%%PORTDOCS%%%%EXAMPLESDIR%%/tfe.key
370	%%PORTDOCS%%%%EXAMPLESDIR%%/tfe.xyz
371	%%PORTDOCS%%%%EXAMPLESDIR%%/thiadiene.int
372	%%PORTDOCS%%%%EXAMPLESDIR%%/thiadiene.key
373	%%PORTDOCS%%%%EXAMPLESDIR%%/thiadiene.xyz
374	%%PORTDOCS%%%%EXAMPLESDIR%%/thiophene.int
375	%%PORTDOCS%%%%EXAMPLESDIR%%/thiophene.key
376	%%PORTDOCS%%%%EXAMPLESDIR%%/thiophene.xyz
377	%%PORTDOCS%%%%EXAMPLESDIR%%/thr.int
378	%%PORTDOCS%%%%EXAMPLESDIR%%/thr.key
379	%%PORTDOCS%%%%EXAMPLESDIR%%/thr.xyz
380	%%PORTDOCS%%%%EXAMPLESDIR%%/tip3f.key
381	%%PORTDOCS%%%%EXAMPLESDIR%%/tip3f.xyz
382	%%PORTDOCS%%%%EXAMPLESDIR%%/tip3p.key
383	%%PORTDOCS%%%%EXAMPLESDIR%%/tip3p.xyz
384	%%PORTDOCS%%%%EXAMPLESDIR%%/tip4f.key
385	%%PORTDOCS%%%%EXAMPLESDIR%%/tip4f.xyz
386	%%PORTDOCS%%%%EXAMPLESDIR%%/tip4p.key
387	%%PORTDOCS%%%%EXAMPLESDIR%%/tip4p.xyz
388	%%PORTDOCS%%%%EXAMPLESDIR%%/tip5p.key
389	%%PORTDOCS%%%%EXAMPLESDIR%%/tip5p.xyz
390	%%PORTDOCS%%%%EXAMPLESDIR%%/trpcage.key
391	%%PORTDOCS%%%%EXAMPLESDIR%%/trpcage.pdb
392	%%PORTDOCS%%%%EXAMPLESDIR%%/trpcage.seq
393	%%PORTDOCS%%%%EXAMPLESDIR%%/trpcage.xyz
394	%%PORTDOCS%%%%EXAMPLESDIR%%/ubiquitin.key
395	%%PORTDOCS%%%%EXAMPLESDIR%%/ubiquitin.pdb
396	%%PORTDOCS%%%%EXAMPLESDIR%%/ubiquitin.seq
397	%%PORTDOCS%%%%EXAMPLESDIR%%/ubiquitin.xyz
398	%%PORTDOCS%%%%EXAMPLESDIR%%/ubiquitin2.key
399	%%PORTDOCS%%%%EXAMPLESDIR%%/ubiquitin2.seq
400	%%PORTDOCS%%%%EXAMPLESDIR%%/ubiquitin2.xyz
401	%%PORTDOCS%%%%EXAMPLESDIR%%/urea.frac
402	%%PORTDOCS%%%%EXAMPLESDIR%%/urea.key
403	%%PORTDOCS%%%%EXAMPLESDIR%%/urea.xyz
404	%%PORTDOCS%%%%EXAMPLESDIR%%/water.int
405	%%PORTDOCS%%%%EXAMPLESDIR%%/water.key
406	%%PORTDOCS%%%%EXAMPLESDIR%%/water.xyz
407	%%PORTDOCS%%%%EXAMPLESDIR%%/waterball.key
408	%%PORTDOCS%%%%EXAMPLESDIR%%/waterball.xyz
409	%%PORTDOCS%%%%EXAMPLESDIR%%/waterbig.key
410	%%PORTDOCS%%%%EXAMPLESDIR%%/waterbig.xyz
411	%%PORTDOCS%%%%EXAMPLESDIR%%/waterbox.dyn
412	%%PORTDOCS%%%%EXAMPLESDIR%%/waterbox.key
413	%%PORTDOCS%%%%EXAMPLESDIR%%/waterbox.xyz
414	%%PORTDOCS%%%%EXAMPLESDIR%%/waterdot.dyn
415	%%PORTDOCS%%%%EXAMPLESDIR%%/waterdot.key
416	%%PORTDOCS%%%%EXAMPLESDIR%%/waterdot.xyz
417	%%PORTDOCS%%%%EXAMPLESDIR%%/waterglobe.key
418	%%PORTDOCS%%%%EXAMPLESDIR%%/waterglobe.xyz
419	%%PORTDOCS%%%%EXAMPLESDIR%%/waterhuge.key
420	%%PORTDOCS%%%%EXAMPLESDIR%%/waterhuge.xyz
421	%%PORTDOCS%%%%EXAMPLESDIR%%/waterslab.dyn
422	%%PORTDOCS%%%%EXAMPLESDIR%%/waterslab.key
423	%%PORTDOCS%%%%EXAMPLESDIR%%/waterslab.xyz
424	%%PORTDOCS%%%%EXAMPLESDIR%%/watersmall.dyn
425	%%PORTDOCS%%%%EXAMPLESDIR%%/watersmall.key
426	%%PORTDOCS%%%%EXAMPLESDIR%%/watersmall.xyz
427	%%PORTDOCS%%%%EXAMPLESDIR%%/watertiny.dyn
428	%%PORTDOCS%%%%EXAMPLESDIR%%/watertiny.key
429	%%PORTDOCS%%%%EXAMPLESDIR%%/watertiny.xyz
430	%%PORTDOCS%%%%EXAMPLESDIR%%/white.int
431	%%PORTDOCS%%%%EXAMPLESDIR%%/white.key
432	%%PORTDOCS%%%%EXAMPLESDIR%%/white.xyz
433	%%PORTDOCS%%%%DATADIR%%/bench/0README
122	%%PORTDOCS%%%%DATADIR%%/bench/bench1.key	434	%%PORTDOCS%%%%DATADIR%%/bench/bench1.key
123	%%PORTDOCS%%%%DATADIR%%/bench/bench1.run	435	%%PORTDOCS%%%%DATADIR%%/bench/bench1.run
124	%%PORTDOCS%%%%DATADIR%%/bench/bench1.xyz	436	%%PORTDOCS%%%%DATADIR%%/bench/bench1.xyz
Lines 138-143 Link Here
138	%%PORTDOCS%%%%DATADIR%%/bench/bench5.log	450	%%PORTDOCS%%%%DATADIR%%/bench/bench5.log
139	%%PORTDOCS%%%%DATADIR%%/bench/bench5.run	451	%%PORTDOCS%%%%DATADIR%%/bench/bench5.run
140	%%PORTDOCS%%%%DATADIR%%/bench/bench5.xyz	452	%%PORTDOCS%%%%DATADIR%%/bench/bench5.xyz
		453	%%PORTDOCS%%%%DATADIR%%/bench/bench6.key
		454	%%PORTDOCS%%%%DATADIR%%/bench/bench6.log
		455	%%PORTDOCS%%%%DATADIR%%/bench/bench6.run
		456	%%PORTDOCS%%%%DATADIR%%/bench/bench6.xyz
		457	%%PORTDOCS%%%%DATADIR%%/bench/bench7.key
		458	%%PORTDOCS%%%%DATADIR%%/bench/bench7.log
		459	%%PORTDOCS%%%%DATADIR%%/bench/bench7.run
		460	%%PORTDOCS%%%%DATADIR%%/bench/bench7.xyz
141	%%PORTDOCS%%%%DATADIR%%/bench/results-2.3	461	%%PORTDOCS%%%%DATADIR%%/bench/results-2.3
142	%%PORTDOCS%%%%DATADIR%%/bench/results-2.4	462	%%PORTDOCS%%%%DATADIR%%/bench/results-2.4
143	%%PORTDOCS%%%%DATADIR%%/bench/results-2.9	463	%%PORTDOCS%%%%DATADIR%%/bench/results-2.9
Lines 151-167 Link Here
151	%%PORTDOCS%%%%DATADIR%%/bench/results-4.0	471	%%PORTDOCS%%%%DATADIR%%/bench/results-4.0
152	%%PORTDOCS%%%%DATADIR%%/bench/results-4.1	472	%%PORTDOCS%%%%DATADIR%%/bench/results-4.1
153	%%PORTDOCS%%%%DATADIR%%/bench/results-4.2	473	%%PORTDOCS%%%%DATADIR%%/bench/results-4.2
154	%%DATADIR%%/params/README	474	%%PORTDOCS%%%%DATADIR%%/bench/results-4.3
		475	%%PORTDOCS%%%%DATADIR%%/bench/results-5.0
		476	%%PORTDOCS%%%%DATADIR%%/bench/results-5.1
		477	%%DATADIR%%/params/0README
		478	%%DATADIR%%/params/amber02.prm
155	%%DATADIR%%/params/amber94.prm	479	%%DATADIR%%/params/amber94.prm
156	%%DATADIR%%/params/amber96.prm	480	%%DATADIR%%/params/amber96.prm
157	%%DATADIR%%/params/amber98.prm	481	%%DATADIR%%/params/amber98.prm
158	%%DATADIR%%/params/amber99.prm	482	%%DATADIR%%/params/amber99.prm
159	%%DATADIR%%/params/amoeba.prm	483	%%DATADIR%%/params/amber99sb.prm
160	%%DATADIR%%/params/amoebapro.prm	484	%%DATADIR%%/params/amoeba04.prm
		485	%%DATADIR%%/params/amoeba09.prm
		486	%%DATADIR%%/params/amoebabio09.prm
		487	%%DATADIR%%/params/amoebapro04.prm
161	%%DATADIR%%/params/charmm19.prm	488	%%DATADIR%%/params/charmm19.prm
162	%%DATADIR%%/params/charmm27.prm	489	%%DATADIR%%/params/charmm22.prm
		490	%%DATADIR%%/params/charmm22cmap.prm
163	%%DATADIR%%/params/dang.prm	491	%%DATADIR%%/params/dang.prm
164	%%DATADIR%%/params/dudek.prm
165	%%DATADIR%%/params/hoch.prm	492	%%DATADIR%%/params/hoch.prm
166	%%DATADIR%%/params/mm2.prm	493	%%DATADIR%%/params/mm2.prm
167	%%DATADIR%%/params/mm3.prm	494	%%DATADIR%%/params/mm3.prm
Lines 169-471 Link Here
169	%%DATADIR%%/params/oplsaa.prm	496	%%DATADIR%%/params/oplsaa.prm
170	%%DATADIR%%/params/oplsaal.prm	497	%%DATADIR%%/params/oplsaal.prm
171	%%DATADIR%%/params/oplsua.prm	498	%%DATADIR%%/params/oplsua.prm
172	%%DATADIR%%/params/smooth.prm
173	%%DATADIR%%/params/smoothaa.prm	499	%%DATADIR%%/params/smoothaa.prm
		500	%%DATADIR%%/params/smoothua.prm
		501	%%DATADIR%%/params/tiny.prm
174	%%DATADIR%%/params/water.prm	502	%%DATADIR%%/params/water.prm
175	%%WITH_VIEWER%%%%DATADIR%%/rasmol/rasmol.hlp	503	%%PORTDOCS%%%%DATADIR%%/test/0README
176	%%PORTDOCS%%%%DATADIR%%/test/README	504	%%PORTDOCS%%%%DATADIR%%/test/anion.dat
177	%%PORTDOCS%%%%DATADIR%%/test/alkane.key	505	%%PORTDOCS%%%%DATADIR%%/test/anion.dyn0
178	%%PORTDOCS%%%%DATADIR%%/test/alkane.xyz	506	%%PORTDOCS%%%%DATADIR%%/test/anion.key
179	%%PORTDOCS%%%%DATADIR%%/test/amoeba.key	507	%%PORTDOCS%%%%DATADIR%%/test/anion.log
180	%%PORTDOCS%%%%DATADIR%%/test/amoeba.xyz	508	%%PORTDOCS%%%%DATADIR%%/test/anion.run
181	%%PORTDOCS%%%%DATADIR%%/test/arach.int	509	%%PORTDOCS%%%%DATADIR%%/test/anion.xyz
182	%%PORTDOCS%%%%DATADIR%%/test/arach.key	510	%%PORTDOCS%%%%DATADIR%%/test/argon.1st
183	%%PORTDOCS%%%%DATADIR%%/test/arach.xyz	511	%%PORTDOCS%%%%DATADIR%%/test/argon.key
184	%%PORTDOCS%%%%DATADIR%%/test/azulene.int	512	%%PORTDOCS%%%%DATADIR%%/test/argon.log
185	%%PORTDOCS%%%%DATADIR%%/test/azulene.key	513	%%PORTDOCS%%%%DATADIR%%/test/argon.run
186	%%PORTDOCS%%%%DATADIR%%/test/azulene.xyz	514	%%PORTDOCS%%%%DATADIR%%/test/clean.make
187	%%PORTDOCS%%%%DATADIR%%/test/bdna.int	515	%%PORTDOCS%%%%DATADIR%%/test/cluster.dat
188	%%PORTDOCS%%%%DATADIR%%/test/bdna.key	516	%%PORTDOCS%%%%DATADIR%%/test/cluster.key
189	%%PORTDOCS%%%%DATADIR%%/test/bdna.make	517	%%PORTDOCS%%%%DATADIR%%/test/cluster.log
190	%%PORTDOCS%%%%DATADIR%%/test/bdna.seq	518	%%PORTDOCS%%%%DATADIR%%/test/cluster.run
191	%%PORTDOCS%%%%DATADIR%%/test/bdna.xyz	519	%%PORTDOCS%%%%DATADIR%%/test/cluster.xyz
192	%%PORTDOCS%%%%DATADIR%%/test/bearing.key
193	%%PORTDOCS%%%%DATADIR%%/test/bearing.xyz
194	%%PORTDOCS%%%%DATADIR%%/test/bearing2.key
195	%%PORTDOCS%%%%DATADIR%%/test/bearing2.xyz
196	%%PORTDOCS%%%%DATADIR%%/test/benzene.int
197	%%PORTDOCS%%%%DATADIR%%/test/benzene.key
198	%%PORTDOCS%%%%DATADIR%%/test/benzene.xyz
199	%%PORTDOCS%%%%DATADIR%%/test/bowl.int
200	%%PORTDOCS%%%%DATADIR%%/test/bowl.key
201	%%PORTDOCS%%%%DATADIR%%/test/bowl.xyz
202	%%PORTDOCS%%%%DATADIR%%/test/bowl2.key
203	%%PORTDOCS%%%%DATADIR%%/test/bowl2.xyz
204	%%PORTDOCS%%%%DATADIR%%/test/bowl3.key
205	%%PORTDOCS%%%%DATADIR%%/test/bowl3.xyz
206	%%PORTDOCS%%%%DATADIR%%/test/bucky.int
207	%%PORTDOCS%%%%DATADIR%%/test/bucky.key
208	%%PORTDOCS%%%%DATADIR%%/test/bucky.xyz
209	%%PORTDOCS%%%%DATADIR%%/test/butane.int
210	%%PORTDOCS%%%%DATADIR%%/test/butane.key
211	%%PORTDOCS%%%%DATADIR%%/test/butane.xyz
212	%%PORTDOCS%%%%DATADIR%%/test/butane2.int
213	%%PORTDOCS%%%%DATADIR%%/test/butane2.key
214	%%PORTDOCS%%%%DATADIR%%/test/butane2.xyz
215	%%PORTDOCS%%%%DATADIR%%/test/butanes.dyn
216	%%PORTDOCS%%%%DATADIR%%/test/butanes.key
217	%%PORTDOCS%%%%DATADIR%%/test/butanes.xyz
218	%%PORTDOCS%%%%DATADIR%%/test/butanex.key
219	%%PORTDOCS%%%%DATADIR%%/test/butanex.xyz
220	%%PORTDOCS%%%%DATADIR%%/test/butopls.int
221	%%PORTDOCS%%%%DATADIR%%/test/butopls.key
222	%%PORTDOCS%%%%DATADIR%%/test/butopls.xyz
223	%%PORTDOCS%%%%DATADIR%%/test/butopls2.int
224	%%PORTDOCS%%%%DATADIR%%/test/butopls2.key
225	%%PORTDOCS%%%%DATADIR%%/test/butopls2.xyz
226	%%PORTDOCS%%%%DATADIR%%/test/c5.key
227	%%PORTDOCS%%%%DATADIR%%/test/c5.seq
228	%%PORTDOCS%%%%DATADIR%%/test/c5.xyz
229	%%PORTDOCS%%%%DATADIR%%/test/c7a.key
230	%%PORTDOCS%%%%DATADIR%%/test/c7a.seq
231	%%PORTDOCS%%%%DATADIR%%/test/c7a.xyz
232	%%PORTDOCS%%%%DATADIR%%/test/c7e.key
233	%%PORTDOCS%%%%DATADIR%%/test/c7e.seq
234	%%PORTDOCS%%%%DATADIR%%/test/c7e.xyz
235	%%PORTDOCS%%%%DATADIR%%/test/calmodulin.key
236	%%PORTDOCS%%%%DATADIR%%/test/calmodulin.pdb
237	%%PORTDOCS%%%%DATADIR%%/test/calmodulin.seq
238	%%PORTDOCS%%%%DATADIR%%/test/calmodulin.xyz
239	%%PORTDOCS%%%%DATADIR%%/test/copper.key
240	%%PORTDOCS%%%%DATADIR%%/test/copper.xyz
241	%%PORTDOCS%%%%DATADIR%%/test/cpentene.key
242	%%PORTDOCS%%%%DATADIR%%/test/cpentene.xyz
243	%%PORTDOCS%%%%DATADIR%%/test/crambin.key	520	%%PORTDOCS%%%%DATADIR%%/test/crambin.key
		521	%%PORTDOCS%%%%DATADIR%%/test/crambin.log
244	%%PORTDOCS%%%%DATADIR%%/test/crambin.pdb	522	%%PORTDOCS%%%%DATADIR%%/test/crambin.pdb
245	%%PORTDOCS%%%%DATADIR%%/test/crambin.seq	523	%%PORTDOCS%%%%DATADIR%%/test/crambin.run
246	%%PORTDOCS%%%%DATADIR%%/test/crambin.xyz	524	%%PORTDOCS%%%%DATADIR%%/test/cyclohex.boat
247	%%PORTDOCS%%%%DATADIR%%/test/crambinx.key	525	%%PORTDOCS%%%%DATADIR%%/test/cyclohex.chair
248	%%PORTDOCS%%%%DATADIR%%/test/crambinx.ray	526	%%PORTDOCS%%%%DATADIR%%/test/cyclohex.key
249	%%PORTDOCS%%%%DATADIR%%/test/crambinx.xyz	527	%%PORTDOCS%%%%DATADIR%%/test/cyclohex.log
250	%%PORTDOCS%%%%DATADIR%%/test/crown.int	528	%%PORTDOCS%%%%DATADIR%%/test/cyclohex.run
251	%%PORTDOCS%%%%DATADIR%%/test/crown.key	529	%%PORTDOCS%%%%DATADIR%%/test/dhfr.dyn
252	%%PORTDOCS%%%%DATADIR%%/test/crown.xyz	530	%%PORTDOCS%%%%DATADIR%%/test/dhfr.key
253	%%PORTDOCS%%%%DATADIR%%/test/cychept.int	531	%%PORTDOCS%%%%DATADIR%%/test/dhfr.log
254	%%PORTDOCS%%%%DATADIR%%/test/cychept.key	532	%%PORTDOCS%%%%DATADIR%%/test/dhfr.run
255	%%PORTDOCS%%%%DATADIR%%/test/cychept.xyz	533	%%PORTDOCS%%%%DATADIR%%/test/dhfr.xyz
256	%%PORTDOCS%%%%DATADIR%%/test/cyclo.int	534	%%PORTDOCS%%%%DATADIR%%/test/dialanine.key
257	%%PORTDOCS%%%%DATADIR%%/test/cyclo.key	535	%%PORTDOCS%%%%DATADIR%%/test/dialanine.log
258	%%PORTDOCS%%%%DATADIR%%/test/cyclo.xyz	536	%%PORTDOCS%%%%DATADIR%%/test/dialanine.run
259	%%PORTDOCS%%%%DATADIR%%/test/cyclo2.int	537	%%PORTDOCS%%%%DATADIR%%/test/dialanine.xyz
260	%%PORTDOCS%%%%DATADIR%%/test/cyclo2.key	538	%%PORTDOCS%%%%DATADIR%%/test/enkephalin.dat
261	%%PORTDOCS%%%%DATADIR%%/test/cyclo2.xyz
262	%%PORTDOCS%%%%DATADIR%%/test/dang.key
263	%%PORTDOCS%%%%DATADIR%%/test/dang.xyz
264	%%PORTDOCS%%%%DATADIR%%/test/diamond.key
265	%%PORTDOCS%%%%DATADIR%%/test/diamond.xyz
266	%%PORTDOCS%%%%DATADIR%%/test/diene.int
267	%%PORTDOCS%%%%DATADIR%%/test/diene.key
268	%%PORTDOCS%%%%DATADIR%%/test/diene.xyz
269	%%PORTDOCS%%%%DATADIR%%/test/dimethane.key
270	%%PORTDOCS%%%%DATADIR%%/test/dimethane.xyz
271	%%PORTDOCS%%%%DATADIR%%/test/enkephalin.int
272	%%PORTDOCS%%%%DATADIR%%/test/enkephalin.key	539	%%PORTDOCS%%%%DATADIR%%/test/enkephalin.key
273	%%PORTDOCS%%%%DATADIR%%/test/enkephalin.make	540	%%PORTDOCS%%%%DATADIR%%/test/enkephalin.log
274	%%PORTDOCS%%%%DATADIR%%/test/enkephalin.seq	541	%%PORTDOCS%%%%DATADIR%%/test/enkephalin.run
275	%%PORTDOCS%%%%DATADIR%%/test/enkephalin.xyz	542	%%PORTDOCS%%%%DATADIR%%/test/formamide.cell
276	%%PORTDOCS%%%%DATADIR%%/test/ermer.int	543	%%PORTDOCS%%%%DATADIR%%/test/formamide.dat
277	%%PORTDOCS%%%%DATADIR%%/test/ermer.key	544	%%PORTDOCS%%%%DATADIR%%/test/formamide.key
278	%%PORTDOCS%%%%DATADIR%%/test/ermer.xyz	545	%%PORTDOCS%%%%DATADIR%%/test/formamide.log
279	%%PORTDOCS%%%%DATADIR%%/test/ester.key	546	%%PORTDOCS%%%%DATADIR%%/test/formamide.run
280	%%PORTDOCS%%%%DATADIR%%/test/ester.xyz	547	%%PORTDOCS%%%%DATADIR%%/test/gpcr.blk
281	%%PORTDOCS%%%%DATADIR%%/test/ethane.int	548	%%PORTDOCS%%%%DATADIR%%/test/gpcr.key
282	%%PORTDOCS%%%%DATADIR%%/test/ethane.key	549	%%PORTDOCS%%%%DATADIR%%/test/gpcr.log
283	%%PORTDOCS%%%%DATADIR%%/test/ethane.xyz	550	%%PORTDOCS%%%%DATADIR%%/test/gpcr.run
284	%%PORTDOCS%%%%DATADIR%%/test/ethanol.int	551	%%PORTDOCS%%%%DATADIR%%/test/gpcr.xyz
285	%%PORTDOCS%%%%DATADIR%%/test/ethanol.key	552	%%PORTDOCS%%%%DATADIR%%/test/helix.1st
286	%%PORTDOCS%%%%DATADIR%%/test/ethanol.xyz
287	%%PORTDOCS%%%%DATADIR%%/test/ethylene.int
288	%%PORTDOCS%%%%DATADIR%%/test/ethylene.key
289	%%PORTDOCS%%%%DATADIR%%/test/ethylene.xyz
290	%%PORTDOCS%%%%DATADIR%%/test/flane.int
291	%%PORTDOCS%%%%DATADIR%%/test/flane.key
292	%%PORTDOCS%%%%DATADIR%%/test/flane.xyz
293	%%PORTDOCS%%%%DATADIR%%/test/form.key
294	%%PORTDOCS%%%%DATADIR%%/test/form.xyz
295	%%PORTDOCS%%%%DATADIR%%/test/formbig.key
296	%%PORTDOCS%%%%DATADIR%%/test/formbig.xyz
297	%%PORTDOCS%%%%DATADIR%%/test/formbox.dyn
298	%%PORTDOCS%%%%DATADIR%%/test/formbox.key
299	%%PORTDOCS%%%%DATADIR%%/test/formbox.xyz
300	%%PORTDOCS%%%%DATADIR%%/test/furan.int
301	%%PORTDOCS%%%%DATADIR%%/test/furan.key
302	%%PORTDOCS%%%%DATADIR%%/test/furan.xyz
303	%%PORTDOCS%%%%DATADIR%%/test/glucose.key
304	%%PORTDOCS%%%%DATADIR%%/test/glucose.xyz
305	%%PORTDOCS%%%%DATADIR%%/test/glycerol.dyn
306	%%PORTDOCS%%%%DATADIR%%/test/glycerol.key
307	%%PORTDOCS%%%%DATADIR%%/test/glycerol.xyz
308	%%PORTDOCS%%%%DATADIR%%/test/graphite.key
309	%%PORTDOCS%%%%DATADIR%%/test/graphite.xyz
310	%%PORTDOCS%%%%DATADIR%%/test/helix.dyn
311	%%PORTDOCS%%%%DATADIR%%/test/helix.key	553	%%PORTDOCS%%%%DATADIR%%/test/helix.key
312	%%PORTDOCS%%%%DATADIR%%/test/helix.xyz	554	%%PORTDOCS%%%%DATADIR%%/test/helix.log
313	%%PORTDOCS%%%%DATADIR%%/test/heme.key	555	%%PORTDOCS%%%%DATADIR%%/test/helix.run
314	%%PORTDOCS%%%%DATADIR%%/test/heme.xyz	556	%%PORTDOCS%%%%DATADIR%%/test/salt.cell
315	%%PORTDOCS%%%%DATADIR%%/test/hexane.int	557	%%PORTDOCS%%%%DATADIR%%/test/salt.key
316	%%PORTDOCS%%%%DATADIR%%/test/hexane.key	558	%%PORTDOCS%%%%DATADIR%%/test/salt.log
317	%%PORTDOCS%%%%DATADIR%%/test/hexane.xyz	559	%%PORTDOCS%%%%DATADIR%%/test/salt.run
318	%%PORTDOCS%%%%DATADIR%%/test/hexanes.dyn	560	%%PORTDOCS%%%%DATADIR%%/test/tetraala.dat
319	%%PORTDOCS%%%%DATADIR%%/test/hexanes.key	561	%%PORTDOCS%%%%DATADIR%%/test/tetraala.key
320	%%PORTDOCS%%%%DATADIR%%/test/hexanes.xyz	562	%%PORTDOCS%%%%DATADIR%%/test/tetraala.log
321	%%PORTDOCS%%%%DATADIR%%/test/imidazole.int	563	%%PORTDOCS%%%%DATADIR%%/test/tetraala.run
322	%%PORTDOCS%%%%DATADIR%%/test/imidazole.key
323	%%PORTDOCS%%%%DATADIR%%/test/imidazole.xyz
324	%%PORTDOCS%%%%DATADIR%%/test/imine.int
325	%%PORTDOCS%%%%DATADIR%%/test/imine.key
326	%%PORTDOCS%%%%DATADIR%%/test/imine.xyz
327	%%PORTDOCS%%%%DATADIR%%/test/lactam.key
328	%%PORTDOCS%%%%DATADIR%%/test/lactam.xyz
329	%%PORTDOCS%%%%DATADIR%%/test/lipid.key
330	%%PORTDOCS%%%%DATADIR%%/test/lipid.xyz
331	%%PORTDOCS%%%%DATADIR%%/test/melittin.key
332	%%PORTDOCS%%%%DATADIR%%/test/melittin.pdb
333	%%PORTDOCS%%%%DATADIR%%/test/melittin.seq
334	%%PORTDOCS%%%%DATADIR%%/test/melittin.xyz
335	%%PORTDOCS%%%%DATADIR%%/test/membrane.key
336	%%PORTDOCS%%%%DATADIR%%/test/membrane.xyz
337	%%PORTDOCS%%%%DATADIR%%/test/methane.int
338	%%PORTDOCS%%%%DATADIR%%/test/methane.key
339	%%PORTDOCS%%%%DATADIR%%/test/methane.xyz
340	%%PORTDOCS%%%%DATADIR%%/test/methanol.key
341	%%PORTDOCS%%%%DATADIR%%/test/methanol.xyz
342	%%PORTDOCS%%%%DATADIR%%/test/mm3.key
343	%%PORTDOCS%%%%DATADIR%%/test/mm3.xyz
344	%%PORTDOCS%%%%DATADIR%%/test/nacl.key
345	%%PORTDOCS%%%%DATADIR%%/test/nacl.xyz
346	%%PORTDOCS%%%%DATADIR%%/test/nada.key
347	%%PORTDOCS%%%%DATADIR%%/test/nada.xyz
348	%%PORTDOCS%%%%DATADIR%%/test/naphthalene.int
349	%%PORTDOCS%%%%DATADIR%%/test/naphthalene.key
350	%%PORTDOCS%%%%DATADIR%%/test/naphthalene.xyz
351	%%PORTDOCS%%%%DATADIR%%/test/nitrogen.dyn
352	%%PORTDOCS%%%%DATADIR%%/test/nitrogen.key
353	%%PORTDOCS%%%%DATADIR%%/test/nitrogen.xyz
354	%%PORTDOCS%%%%DATADIR%%/test/nma.int
355	%%PORTDOCS%%%%DATADIR%%/test/nma.key
356	%%PORTDOCS%%%%DATADIR%%/test/nma.xyz
357	%%PORTDOCS%%%%DATADIR%%/test/nmabox.dyn
358	%%PORTDOCS%%%%DATADIR%%/test/nmabox.key
359	%%PORTDOCS%%%%DATADIR%%/test/nmabox.xyz
360	%%PORTDOCS%%%%DATADIR%%/test/nstilbene.int
361	%%PORTDOCS%%%%DATADIR%%/test/nstilbene.key
362	%%PORTDOCS%%%%DATADIR%%/test/nstilbene.xyz
363	%%PORTDOCS%%%%DATADIR%%/test/octane.int
364	%%PORTDOCS%%%%DATADIR%%/test/octane.key
365	%%PORTDOCS%%%%DATADIR%%/test/octane.xyz
366	%%PORTDOCS%%%%DATADIR%%/test/octane2.int
367	%%PORTDOCS%%%%DATADIR%%/test/octane2.key
368	%%PORTDOCS%%%%DATADIR%%/test/octane2.xyz
369	%%PORTDOCS%%%%DATADIR%%/test/octene.key
370	%%PORTDOCS%%%%DATADIR%%/test/octene.xyz
371	%%PORTDOCS%%%%DATADIR%%/test/palmitate.int
372	%%PORTDOCS%%%%DATADIR%%/test/palmitate.key
373	%%PORTDOCS%%%%DATADIR%%/test/palmitate.xyz
374	%%PORTDOCS%%%%DATADIR%%/test/peptide.int
375	%%PORTDOCS%%%%DATADIR%%/test/peptide.key
376	%%PORTDOCS%%%%DATADIR%%/test/peptide.make
377	%%PORTDOCS%%%%DATADIR%%/test/peptide.pdb
378	%%PORTDOCS%%%%DATADIR%%/test/peptide.seq
379	%%PORTDOCS%%%%DATADIR%%/test/peptide.xyz
380	%%PORTDOCS%%%%DATADIR%%/test/phenanth.key
381	%%PORTDOCS%%%%DATADIR%%/test/phenanth.xyz
382	%%PORTDOCS%%%%DATADIR%%/test/photo.key
383	%%PORTDOCS%%%%DATADIR%%/test/photo.pdb
384	%%PORTDOCS%%%%DATADIR%%/test/photo.seq
385	%%PORTDOCS%%%%DATADIR%%/test/photo.xyz
386	%%PORTDOCS%%%%DATADIR%%/test/pol3.key
387	%%PORTDOCS%%%%DATADIR%%/test/pol3.xyz
388	%%PORTDOCS%%%%DATADIR%%/test/polyala.key
389	%%PORTDOCS%%%%DATADIR%%/test/polyala.xyz
390	%%PORTDOCS%%%%DATADIR%%/test/propane.key
391	%%PORTDOCS%%%%DATADIR%%/test/propane.ray
392	%%PORTDOCS%%%%DATADIR%%/test/propane.xyz
393	%%PORTDOCS%%%%DATADIR%%/test/propellane.int
394	%%PORTDOCS%%%%DATADIR%%/test/propellane.key
395	%%PORTDOCS%%%%DATADIR%%/test/propellane.xyz
396	%%PORTDOCS%%%%DATADIR%%/test/propyne.key
397	%%PORTDOCS%%%%DATADIR%%/test/propyne.xyz
398	%%PORTDOCS%%%%DATADIR%%/test/pyridine.int
399	%%PORTDOCS%%%%DATADIR%%/test/pyridine.key
400	%%PORTDOCS%%%%DATADIR%%/test/pyridine.xyz
401	%%PORTDOCS%%%%DATADIR%%/test/pyrrole.int
402	%%PORTDOCS%%%%DATADIR%%/test/pyrrole.key
403	%%PORTDOCS%%%%DATADIR%%/test/pyrrole.xyz
404	%%PORTDOCS%%%%DATADIR%%/test/retinoic.key
405	%%PORTDOCS%%%%DATADIR%%/test/retinoic.xyz
406	%%PORTDOCS%%%%DATADIR%%/test/skunk.key
407	%%PORTDOCS%%%%DATADIR%%/test/skunk.xyz
408	%%PORTDOCS%%%%DATADIR%%/test/spc.key
409	%%PORTDOCS%%%%DATADIR%%/test/spc.xyz
410	%%PORTDOCS%%%%DATADIR%%/test/sterol.key
411	%%PORTDOCS%%%%DATADIR%%/test/sterol.xyz
412	%%PORTDOCS%%%%DATADIR%%/test/styrene.int
413	%%PORTDOCS%%%%DATADIR%%/test/styrene.key
414	%%PORTDOCS%%%%DATADIR%%/test/styrene.xyz
415	%%PORTDOCS%%%%DATADIR%%/test/terphenyl.key
416	%%PORTDOCS%%%%DATADIR%%/test/terphenyl.xyz
417	%%PORTDOCS%%%%DATADIR%%/test/tfe.key
418	%%PORTDOCS%%%%DATADIR%%/test/tfe.xyz
419	%%PORTDOCS%%%%DATADIR%%/test/thiadiene.int
420	%%PORTDOCS%%%%DATADIR%%/test/thiadiene.key
421	%%PORTDOCS%%%%DATADIR%%/test/thiadiene.xyz
422	%%PORTDOCS%%%%DATADIR%%/test/thiophene.int
423	%%PORTDOCS%%%%DATADIR%%/test/thiophene.key
424	%%PORTDOCS%%%%DATADIR%%/test/thiophene.xyz
425	%%PORTDOCS%%%%DATADIR%%/test/thr.int
426	%%PORTDOCS%%%%DATADIR%%/test/thr.key
427	%%PORTDOCS%%%%DATADIR%%/test/thr.xyz
428	%%PORTDOCS%%%%DATADIR%%/test/tip3f.key
429	%%PORTDOCS%%%%DATADIR%%/test/tip3f.xyz
430	%%PORTDOCS%%%%DATADIR%%/test/tip3p.key
431	%%PORTDOCS%%%%DATADIR%%/test/tip3p.xyz
432	%%PORTDOCS%%%%DATADIR%%/test/tip4f.key
433	%%PORTDOCS%%%%DATADIR%%/test/tip4f.xyz
434	%%PORTDOCS%%%%DATADIR%%/test/tip4p.key
435	%%PORTDOCS%%%%DATADIR%%/test/tip4p.xyz
436	%%PORTDOCS%%%%DATADIR%%/test/tip5p.key
437	%%PORTDOCS%%%%DATADIR%%/test/tip5p.xyz
438	%%PORTDOCS%%%%DATADIR%%/test/trpcage.key
439	%%PORTDOCS%%%%DATADIR%%/test/trpcage.pdb
440	%%PORTDOCS%%%%DATADIR%%/test/trpcage.seq
441	%%PORTDOCS%%%%DATADIR%%/test/trpcage.xyz
442	%%PORTDOCS%%%%DATADIR%%/test/water.int
443	%%PORTDOCS%%%%DATADIR%%/test/water.key	564	%%PORTDOCS%%%%DATADIR%%/test/water.key
		565	%%PORTDOCS%%%%DATADIR%%/test/water.log
		566	%%PORTDOCS%%%%DATADIR%%/test/water.pot
		567	%%PORTDOCS%%%%DATADIR%%/test/water.run
444	%%PORTDOCS%%%%DATADIR%%/test/water.xyz	568	%%PORTDOCS%%%%DATADIR%%/test/water.xyz
445	%%PORTDOCS%%%%DATADIR%%/test/waterbig.key
446	%%PORTDOCS%%%%DATADIR%%/test/waterbig.xyz
447	%%PORTDOCS%%%%DATADIR%%/test/waterbox.dyn
448	%%PORTDOCS%%%%DATADIR%%/test/waterbox.key
449	%%PORTDOCS%%%%DATADIR%%/test/waterbox.xyz
450	%%PORTDOCS%%%%DATADIR%%/test/waterdot.dyn
451	%%PORTDOCS%%%%DATADIR%%/test/waterdot.key
452	%%PORTDOCS%%%%DATADIR%%/test/waterdot.xyz
453	%%PORTDOCS%%%%DATADIR%%/test/waterhuge.key
454	%%PORTDOCS%%%%DATADIR%%/test/waterhuge.xyz
455	%%PORTDOCS%%%%DATADIR%%/test/watersmall.dyn
456	%%PORTDOCS%%%%DATADIR%%/test/watersmall.key
457	%%PORTDOCS%%%%DATADIR%%/test/watersmall.xyz
458	%%PORTDOCS%%%%DATADIR%%/test/watertiny.dyn
459	%%PORTDOCS%%%%DATADIR%%/test/watertiny.key
460	%%PORTDOCS%%%%DATADIR%%/test/watertiny.xyz
461	%%PORTDOCS%%%%DATADIR%%/test/white.int
462	%%PORTDOCS%%%%DATADIR%%/test/white.key
463	%%PORTDOCS%%%%DATADIR%%/test/white.xyz
464	%%DATADIR%%/tinker.txt	569	%%DATADIR%%/tinker.txt
465	%%PORTDOCS%%@dirrm %%DOCSDIR%%
466	%%PORTDOCS%%@dirrm share/examples/tinker
467	%%PORTDOCS%%@dirrm %%DATADIR%%/bench
468	@dirrm %%DATADIR%%/params
469	%%WITH_VIEWER%%@dirrm %%DATADIR%%/rasmol
470	%%PORTDOCS%%@dirrm %%DATADIR%%/test	570	%%PORTDOCS%%@dirrm %%DATADIR%%/test
		571	@dirrm %%DATADIR%%/params
		572	%%PORTDOCS%%@dirrm %%DATADIR%%/bench
471	@dirrm %%DATADIR%%	573	@dirrm %%DATADIR%%
		574	%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%
		575	%%PORTDOCS%%@dirrm %%DOCSDIR%%




#!/bin/sh

# This builds the molecular viewer for tinker files.  It is a modified
# version of rasmol.  One of the problems with rasmol is that is only
# works at one color depth.  This script will build three viewers at
# different color depths, 8-bit, 16-bit, and 32-bit.  The binaries are
# called tview-8, tview-16, and tview-32 respectively.

cd ${WRKSRC}/../rasmol

cp Imakefile Imakefile.orig

sed s@/user/ponder@${PREFIX}/share@ Imakefile > Imakefile.temp

sed s@'ComplexProgramTarget(rasmol)'@'ComplexProgramTarget(tview-32)'@ \
    Imakefile.temp > Imakefile

xmkmf -a

make clean && make

sed -e s@'DEPTHDEF = -DTHIRTYTWOBIT'@'# DEPTHDEF = -DTHIRTYTWOBIT'@ \
    -e s@'# DEPTHDEF = -DSIXTEENBIT'@'DEPTHDEF = -DSIXTEENBIT'@ \
    -e s@'ComplexProgramTarget(rasmol)'@'ComplexProgramTarget(tview-16)'@ \
       Imakefile.temp > Imakefile

xmkmf -a

make clean && make

sed -e s@'DEPTHDEF = -DTHIRTYTWOBIT'@'# DEPTHDEF = -DTHIRTYTWOBIT'@ \
    -e s@'# DEPTHDEF = -DEIGHTBIT'@'DEPTHDEF = -DEIGHTBIT'@ \
    -e s@'ComplexProgramTarget(rasmol)'@'ComplexProgramTarget(tview-8)'@ \
       Imakefile.temp > Imakefile

xmkmf -a

make clean && make

# Restore Imakefile to original state so that rerunning this script does
# the right thing.
rm Imakefile.temp
mv Imakefile.orig Imakefile
xmkmf -a
make clean

exit 0

Return to bug 154359

Lines 6-19 Link Here

(-)tinker/Makefile (-33 / +5 lines)
6	#	6	#
7		7
8	PORTNAME= tinker	8	PORTNAME= tinker
9	PORTVERSION= 4.2.20040908	9	PORTVERSION= 5.1.09
10	PORTREVISION= 5
11	CATEGORIES= biology	10	CATEGORIES= biology
12	MASTER_SITES= ftp://ftp.tu-chemnitz.de/.SAN0/pub/FreeBSD/ports/distfiles/RESTRICTED/${PORTNAME}-${PORTVERSION}/\	11	MASTER_SITES= http://dasher.wustl.edu/tinker/downloads/
13	ftp://ftp.tw.freebsd.org/pub/ports/distfiles/${PORTNAME}-${PORTVERSION}/ \
14	ftp://ftp.uvsq.fr/pub/FreeBSD/ports/distfiles/RESTRICTED/${PORTNAME}-${PORTVERSION}/
15	DISTNAME= ${PORTNAME}
16	DIST_SUBDIR= ${PORTNAME}-${PORTVERSION}
17		12
18	MAINTAINER= ports@FreeBSD.org	13	MAINTAINER= ports@FreeBSD.org
19	COMMENT= A general purpose molecular modelling package	14	COMMENT= A general purpose molecular modelling package
Lines 27-36 Link Here
27	INSTALL_TARGET= rename	22	INSTALL_TARGET= rename
28	RESTRICTED= author requests no distribution except from his FTP site	23	RESTRICTED= author requests no distribution except from his FTP site
29		24
30	DOCS= README .pdf .txt release*	25	DOCS= 0README .pdf .txt announce/release*
31	SAMPLES= README clean.make .1st .boat .cell .chair .dat .dyn0 \	26	SAMPLES= 0README .make .dyn .int .frac .key .seq .pdb .run *.xyz
32	.key .log .pdb .run *.xyz	27	BENCHES= 0README .dyn0 .log .key .run .xyz results
33	BENCHES= README .dyn0 .log .key .run .xyz results
34		28
35	.include <bsd.port.pre.mk>	29	.include <bsd.port.pre.mk>
36		30
Lines 43-63 Link Here
43	.endif # i386	37	.endif # i386
44	.endif	38	.endif
45		39
46	.if defined(WITH_VIEWER)
47	BUILD_DEPENDS+= imake:${PORTSDIR}/devel/imake
48	USE_XORG= x11 xext xi
49	PLIST_SUB+= WITH_VIEWER=""
50	post-build:
51	@${SETENV} ${SCRIPTS_ENV} ${SH} ${SCRIPTDIR}/build_viewer
52	.else
53	PLIST_SUB+= WITH_VIEWER="@comment "
54	pre-extract:
55	@${ECHO_MSG} ""
56	@${ECHO_MSG} If you would like to also build
57	@${ECHO_MSG} the molecular viewer, define WITH_VIEWER.
58	@${ECHO_MSG} ""
59	.endif
60
61	pre-everything::	40	pre-everything::
62	.if !defined(WITH_OPTIMIZED_FLAGS)	41	.if !defined(WITH_OPTIMIZED_FLAGS)
63	@${ECHO_MSG} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."	42	@${ECHO_MSG} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
Lines 85-97 Link Here
85	@${INSTALL_DATA} ${BENCHES:S\|^\|${WRKDIR}/tinker/bench/\|} ${DATADIR}/bench	64	@${INSTALL_DATA} ${BENCHES:S\|^\|${WRKDIR}/tinker/bench/\|} ${DATADIR}/bench
86	@${INSTALL_DATA} ${WRKDIR}/tinker/test/* ${DATADIR}/test	65	@${INSTALL_DATA} ${WRKDIR}/tinker/test/* ${DATADIR}/test
87	.endif	66	.endif
88	.if defined(WITH_VIEWER)
89	@${MKDIR} ${DATADIR}/rasmol
90	@${INSTALL_PROGRAM} ${WRKDIR}/tinker/rasmol/tview-* ${PREFIX}/bin
91	@${INSTALL_SCRIPT} ${FILESDIR}/tview ${PREFIX}/bin
92	@${INSTALL_DATA} ${WRKDIR}/tinker/rasmol/rasmol.hlp \
93	${DATADIR}/rasmol
94	.endif
95	@${ECHO_MSG} ""	67	@${ECHO_MSG} ""
96	@${ECHO_MSG} " **********************************************************"	68	@${ECHO_MSG} " **********************************************************"
97	@${ECHO_MSG} " The author requests that you return a license form "	69	@${ECHO_MSG} " The author requests that you return a license form "

Lines 1-5 Link Here

(-)tinker/files/patch-aa (-14 / +45 lines)
1	--- ../make/Makefile.orig Thu Aug 19 17:37:44 2004	1	--- ../make/Makefile.orig 2010-08-25 00:58:16.000000000 +0400
2	+++ ../make/Makefile Thu Aug 19 22:52:41 2004	2	+++ ../make/Makefile 2011-01-22 01:12:41.000000000 +0300
3	@@ -9,8 +9,8 @@	3	@@ -9,8 +9,8 @@
4	##	4	##
5	## 1. make all Build all the TINKER executables	5	## 1. make all Build all the TINKER executables
Lines 15-21 Link Here
15	## LINKDIR Linked Copies of TINKER Executables	15	## LINKDIR Linked Copies of TINKER Executables
16	##	16	##
17		17
18	-TINKERDIR = /user/ponder/tinker	18	-TINKERDIR = /Users/ponder/tinker
19	-BINDIR = $(TINKERDIR)/bin	19	-BINDIR = $(TINKERDIR)/bin
20	-LINKDIR = /usr/local/bin	20	-LINKDIR = /usr/local/bin
21	+TINKERDIR = ${WRKDIR}	21	+TINKERDIR = ${WRKDIR}
Lines 24-34 Link Here
24		24
25	####################################################################	25	####################################################################
26	## Known Machine Types; Uncomment One of the Following Sections ##	26	## Known Machine Types; Uncomment One of the Following Sections ##
27	@@ -122,6 +122,20 @@	27	@@ -40,6 +40,20 @@
28	#LIBFLAGS = -crusv	28	####################################################################
29	#LINKFLAGS =
30		29
31	+##	30	##
32	+## Machine: IntelPC / FreeBSD	31	+## Machine: IntelPC / FreeBSD
33	+## CPU Type: Intel, AMD, Cyrix	32	+## CPU Type: Intel, AMD, Cyrix
34	+## Oper Sys: FreeBSD 4.2	33	+## Oper Sys: FreeBSD 4.2
Lines 42-51 Link Here
42	+OPTFLAGS =	41	+OPTFLAGS =
43	+LIBFLAGS = -rcuv	42	+LIBFLAGS = -rcuv
44	+	43	+
45	#################################################################	44	+##
46	## Should not be Necessary to Change Things Below this Point ##	45	## Machine: Generic Linux
47	#################################################################	46	## CPU Type: Intel x86 Compatible
48	@@ -529,11 +543,13 @@	47	## Oper Sys: Fedora Core
		48	@@ -102,12 +116,12 @@
		49	## Compiler: Intel Fortran for Mac 11
		50	##
		51
		52	-F77 = /opt/intel/Compiler/11.1/058/bin/intel64/ifort
		53	-LIBS =
		54	-F77FLAGS = -c -axSSSE3 -vec-report0
		55	-OPTFLAGS = -O3 -no-ipo -no-prec-div
		56	-LIBFLAGS = -crusv
		57	-LINKFLAGS = -static-intel -mmacosx-version-min=10.4
		58	+#F77 = /opt/intel/Compiler/11.1/058/bin/intel64/ifort
		59	+#LIBS =
		60	+#F77FLAGS = -c -axSSSE3 -vec-report0
		61	+#OPTFLAGS = -O3 -no-ipo -no-prec-div
		62	+#LIBFLAGS = -crusv
		63	+#LINKFLAGS = -static-intel -mmacosx-version-min=10.4
		64
		65	##
		66	## Machine: Macintosh (PPC)
		67	@@ -584,6 +598,8 @@
49	xyzpdb.x \	68	xyzpdb.x \
50	xyzsybyl.x	69	xyzsybyl.x
51		70
Lines 54-59 Link Here
54	.f.o:	73	.f.o:
55	${F77} ${F77FLAGS} ${OPTFLAGS} $*.f	74	${F77} ${F77FLAGS} ${OPTFLAGS} $*.f
56		75
		76	@@ -596,8 +612,8 @@
		77	server.o:
		78	${F77} ${F77FLAGS} ${OPTFLAGS} server.f
		79
57	-%.x: %.o libtinker.a	80	-%.x: %.o libtinker.a
58	- ${F77} ${LINKFLAGS} -o $@ $^ ${LIBS}	81	- ${F77} ${LINKFLAGS} -o $@ $^ ${LIBS}
59	+.o.x: libtinker.a	82	+.o.x: libtinker.a
Lines 61-67 Link Here
61		84
62	all: ${EXEFILES}	85	all: ${EXEFILES}
63		86
64	@@ -544,59 +560,59 @@	87	@@ -608,63 +624,63 @@
65	cat .i .f > tinker.txt	88	cat .i .f > tinker.txt
66		89
67	rename:	90	rename:
Lines 91-96 Link Here
91	- mv path.x $(BINDIR)/path	114	- mv path.x $(BINDIR)/path
92	- mv pdbxyz.x $(BINDIR)/pdbxyz	115	- mv pdbxyz.x $(BINDIR)/pdbxyz
93	- mv polarize.x $(BINDIR)/polarize	116	- mv polarize.x $(BINDIR)/polarize
		117	- mv poledit.x $(BINDIR)/poledit
		118	- mv potential.x $(BINDIR)/potential
94	- mv prmedit.x $(BINDIR)/prmedit	119	- mv prmedit.x $(BINDIR)/prmedit
95	- mv protein.x $(BINDIR)/protein	120	- mv protein.x $(BINDIR)/protein
96	- mv pss.x $(BINDIR)/pss	121	- mv pss.x $(BINDIR)/pss
Lines 106-115 Link Here
106	- mv sybylxyz.x $(BINDIR)/sybylxyz	131	- mv sybylxyz.x $(BINDIR)/sybylxyz
107	- mv testgrad.x $(BINDIR)/testgrad	132	- mv testgrad.x $(BINDIR)/testgrad
108	- mv testhess.x $(BINDIR)/testhess	133	- mv testhess.x $(BINDIR)/testhess
109	- mv testlight.x $(BINDIR)/testlight	134	- mv testpair.x $(BINDIR)/testpair
110	- mv testrot.x $(BINDIR)/testrot	135	- mv testrot.x $(BINDIR)/testrot
111	- mv timer.x $(BINDIR)/timer	136	- mv timer.x $(BINDIR)/timer
112	- mv timerot.x $(BINDIR)/timerot	137	- mv timerot.x $(BINDIR)/timerot
		138	- mv valence.x $(BINDIR)/valence
		139	- mv vibbig.x $(BINDIR)/vibbig
113	- mv vibrate.x $(BINDIR)/vibrate	140	- mv vibrate.x $(BINDIR)/vibrate
114	- mv vibrot.x $(BINDIR)/vibrot	141	- mv vibrot.x $(BINDIR)/vibrot
115	- mv xtalfit.x $(BINDIR)/xtalfit	142	- mv xtalfit.x $(BINDIR)/xtalfit
Lines 144-149 Link Here
144	+ ${INSTALL_PROGRAM} path.x $(BINDIR)/path	171	+ ${INSTALL_PROGRAM} path.x $(BINDIR)/path
145	+ ${INSTALL_PROGRAM} pdbxyz.x $(BINDIR)/pdbxyz	172	+ ${INSTALL_PROGRAM} pdbxyz.x $(BINDIR)/pdbxyz
146	+ ${INSTALL_PROGRAM} polarize.x $(BINDIR)/polarize	173	+ ${INSTALL_PROGRAM} polarize.x $(BINDIR)/polarize
		174	+ ${INSTALL_PROGRAM} poledit.x $(BINDIR)/poledit
		175	+ ${INSTALL_PROGRAM} potential.x $(BINDIR)/potential
147	+ ${INSTALL_PROGRAM} prmedit.x $(BINDIR)/prmedit	176	+ ${INSTALL_PROGRAM} prmedit.x $(BINDIR)/prmedit
148	+ ${INSTALL_PROGRAM} protein.x $(BINDIR)/protein	177	+ ${INSTALL_PROGRAM} protein.x $(BINDIR)/protein
149	+ ${INSTALL_PROGRAM} pss.x $(BINDIR)/pss	178	+ ${INSTALL_PROGRAM} pss.x $(BINDIR)/pss
Lines 159-168 Link Here
159	+ ${INSTALL_PROGRAM} sybylxyz.x $(BINDIR)/sybylxyz	188	+ ${INSTALL_PROGRAM} sybylxyz.x $(BINDIR)/sybylxyz
160	+ ${INSTALL_PROGRAM} testgrad.x $(BINDIR)/testgrad	189	+ ${INSTALL_PROGRAM} testgrad.x $(BINDIR)/testgrad
161	+ ${INSTALL_PROGRAM} testhess.x $(BINDIR)/testhess	190	+ ${INSTALL_PROGRAM} testhess.x $(BINDIR)/testhess
162	+ ${INSTALL_PROGRAM} testlight.x $(BINDIR)/testlight	191	+ ${INSTALL_PROGRAM} testpair.x $(BINDIR)/testpair
163	+ ${INSTALL_PROGRAM} testrot.x $(BINDIR)/testrot	192	+ ${INSTALL_PROGRAM} testrot.x $(BINDIR)/testrot
164	+ ${INSTALL_PROGRAM} timer.x $(BINDIR)/timer	193	+ ${INSTALL_PROGRAM} timer.x $(BINDIR)/timer
165	+ ${INSTALL_PROGRAM} timerot.x $(BINDIR)/timerot	194	+ ${INSTALL_PROGRAM} timerot.x $(BINDIR)/timerot
		195	+ ${INSTALL_PROGRAM} valence.x $(BINDIR)/valence
		196	+ ${INSTALL_PROGRAM} vibbig.x $(BINDIR)/vibbig
166	+ ${INSTALL_PROGRAM} vibrate.x $(BINDIR)/vibrate	197	+ ${INSTALL_PROGRAM} vibrate.x $(BINDIR)/vibrate
167	+ ${INSTALL_PROGRAM} vibrot.x $(BINDIR)/vibrot	198	+ ${INSTALL_PROGRAM} vibrot.x $(BINDIR)/vibrot
168	+ ${INSTALL_PROGRAM} xtalfit.x $(BINDIR)/xtalfit	199	+ ${INSTALL_PROGRAM} xtalfit.x $(BINDIR)/xtalfit

Lines 1-21 Link Here

(-)tinker/files/tview (-21 lines)
1	#!/bin/sh
2
3	# Determine if X is running
4	if [ -z $DISPLAY ]; then
5	echo You must be running X for this.
6	else
7	# Try to determine the color depth of the X server
8
9	DEPTH=`xwininfo -root \| grep Depth \| awk '{print $2}'`
10
11	if [ $DEPTH = 24 -o $DEPTH = 32 ]; then
12	PROGRAM=tview-32
13	elif [ $DEPTH = 16 ]; then
14	PROGRAM=tview-16
15	elif [ $DEPTH = 8 ]; then
16	PROGRAM=tview-8
17	else
18	echo Can not determine color depth of Display $DISPLAY
19	fi
20	exec $PROGRAM $@
21	fi

Lines 1-47 Link Here

(-)tinker/scripts/build_viewer (-47 lines)
1	#!/bin/sh
2
3	# This builds the molecular viewer for tinker files. It is a modified
4	# version of rasmol. One of the problems with rasmol is that is only
5	# works at one color depth. This script will build three viewers at
6	# different color depths, 8-bit, 16-bit, and 32-bit. The binaries are
7	# called tview-8, tview-16, and tview-32 respectively.
8
9	cd ${WRKSRC}/../rasmol
10
11	cp Imakefile Imakefile.orig
12
13	sed s@/user/ponder@${PREFIX}/share@ Imakefile > Imakefile.temp
14
15	sed s@'ComplexProgramTarget(rasmol)'@'ComplexProgramTarget(tview-32)'@ \
16	Imakefile.temp > Imakefile
17
18	xmkmf -a
19
20	make clean && make
21
22	sed -e s@'DEPTHDEF = -DTHIRTYTWOBIT'@'# DEPTHDEF = -DTHIRTYTWOBIT'@ \
23	-e s@'# DEPTHDEF = -DSIXTEENBIT'@'DEPTHDEF = -DSIXTEENBIT'@ \
24	-e s@'ComplexProgramTarget(rasmol)'@'ComplexProgramTarget(tview-16)'@ \
25	Imakefile.temp > Imakefile
26
27	xmkmf -a
28
29	make clean && make
30
31	sed -e s@'DEPTHDEF = -DTHIRTYTWOBIT'@'# DEPTHDEF = -DTHIRTYTWOBIT'@ \
32	-e s@'# DEPTHDEF = -DEIGHTBIT'@'DEPTHDEF = -DEIGHTBIT'@ \
33	-e s@'ComplexProgramTarget(rasmol)'@'ComplexProgramTarget(tview-8)'@ \
34	Imakefile.temp > Imakefile
35
36	xmkmf -a
37
38	make clean && make
39
40	# Restore Imakefile to original state so that rerunning this script does
41	# the right thing.
42	rm Imakefile.temp
43	mv Imakefile.orig Imakefile
44	xmkmf -a
45	make clean
46
47	exit 0