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(-)biology/tinker/Makefile (-19 / +13 lines)
Lines 2-8 Link Here
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# $FreeBSD: head/biology/tinker/Makefile 308054 2012-12-01 00:00:43Z sperber $
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# $FreeBSD: head/biology/tinker/Makefile 308054 2012-12-01 00:00:43Z sperber $
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PORTNAME=	tinker
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PORTNAME=	tinker
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PORTVERSION=	6.1.01
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PORTVERSION=	6.2.01
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CATEGORIES=	biology
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CATEGORIES=	biology
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MASTER_SITES=	http://dasher.wustl.edu/tinker/downloads/
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MASTER_SITES=	http://dasher.wustl.edu/tinker/downloads/
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Lines 11-18 Link Here
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RESTRICTED=	author requests no distribution except from his FTP site
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RESTRICTED=	author requests no distribution except from his FTP site
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OPTIONS_DEFINE=	OPTIMIZED_FFLAGS DATA DOCS EXAMPLES
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OPTIONS_DEFINE=	OPTIMIZED_FFLAGS DOCS EXAMPLES
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OPTIONS_DEFAULT=DATA
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OPTIMIZED_FFLAGS_DESC=	compilation optimizations
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OPTIMIZED_FFLAGS_DESC=	compilation optimizations
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WRKSRC=		${WRKDIR}/${PORTNAME}
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WRKSRC=		${WRKDIR}/${PORTNAME}
Lines 28-36 Link Here
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SUB_FILES=	pkg-message
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SUB_FILES=	pkg-message
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DOCS=		0README *.pdf *.txt
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SAMPLES=	0README *.make *.dyn *.int *.frac *.key *.seq *.pdb *.xyz
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BENCHES=	0README *.dyn0 *.log *.key *.run *.xyz results*
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.include <bsd.port.pre.mk>
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.include <bsd.port.pre.mk>
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Lines 41-71 Link Here
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.endif # i386
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.endif # i386
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.endif
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.endif
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.if empty(PORT_OPTIONS:MDATA)
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NOPORTDATA=	yes
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.endif
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post-extract:
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post-extract:
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	@${CHMOD} -R u+w ${WRKSRC}
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	@${CHMOD} -R u+w ${WRKSRC}
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post-install:
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post-install:
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	@${MKDIR} ${DATADIR}
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	@${MKDIR} ${DATADIR}
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	${INSTALL_DATA} ${INSTALL_WRKSRC}/tinker.txt ${DATADIR}
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	(cd ${INSTALL_WRKSRC} && ${INSTALL_DATA} tinker.txt ${DATADIR})
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	@${MKDIR} ${DATADIR}/params
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	${INSTALL_DATA} ${WRKSRC}/params/* ${DATADIR}/params
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.if ${PORT_OPTIONS:MDATA}
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	@${MKDIR} ${DATADIR}/bench
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	@${MKDIR} ${DATADIR}/bench
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	${INSTALL_DATA} ${BENCHES:S|^|${WRKSRC}/bench/|} ${DATADIR}/bench
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	(cd ${WRKSRC}/bench && ${INSTALL_DATA} \
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		0README *.dyn0 *.log *.key *.run *.xyz results* \
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		${DATADIR}/bench)
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	@${MKDIR} ${DATADIR}/params
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	(cd ${WRKSRC}/params && ${INSTALL_DATA} * ${DATADIR}/params)
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	@${MKDIR} ${DATADIR}/test
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	@${MKDIR} ${DATADIR}/test
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	${INSTALL_DATA} ${WRKSRC}/test/* ${DATADIR}/test
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	(cd ${WRKSRC}/test && ${INSTALL_DATA} * ${DATADIR}/test)
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.endif
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.if ${PORT_OPTIONS:MDOCS}
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.if ${PORT_OPTIONS:MDOCS}
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	@${MKDIR} ${DOCSDIR}
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	@${MKDIR} ${DOCSDIR}
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	${INSTALL_DATA} ${DOCS:S|^|${WRKSRC}/doc/|} ${DOCSDIR}
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	(cd ${WRKSRC}/doc && ${INSTALL_DATA} 0README *.pdf *.txt ${DOCSDIR})
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.endif
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.endif
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.if ${PORT_OPTIONS:MEXAMPLES}
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.if ${PORT_OPTIONS:MEXAMPLES}
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	@${MKDIR} ${EXAMPLESDIR}
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	@${MKDIR} ${EXAMPLESDIR}
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	${INSTALL_DATA} ${SAMPLES:S|^|${WRKSRC}/example/|} ${EXAMPLESDIR}
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	(cd ${WRKSRC}/example && ${INSTALL_DATA} \
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		0README *.make *.dyn *.int *.frac *.key *.seq *.pdb *.xyz \
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		${EXAMPLESDIR})
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.endif
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.endif
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	@${ECHO_CMD}
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	@${ECHO_CMD}
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	@${CAT} ${PKGMESSAGE}
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	@${CAT} ${PKGMESSAGE}
(-)biology/tinker/distinfo (-2 / +2 lines)
Lines 1-2 Link Here
1
SHA256 (tinker-6.1.01.tar.gz) = fa287c381fd866822b19396fa152406b8463421f0a27902867cdbbf6b67233e4
1
SHA256 (tinker-6.2.01.tar.gz) = a19fd7e1b5afa7b55245b50f3358c43ae88efd664185ca32506e5ee9d504c88d
2
SIZE (tinker-6.1.01.tar.gz) = 19478639
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SIZE (tinker-6.2.01.tar.gz) = 19561083
(-)biology/tinker/files/patch-make__Makefile (-14 / +5 lines)
Lines 1-16 Link Here
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--- make/Makefile.orig	2012-06-29 14:51:42.000000000 +0900
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--- make/Makefile.orig	2012-06-29 14:51:42.000000000 +0900
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+++ make/Makefile	2012-11-10 00:12:19.000000000 +0900
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+++ make/Makefile	2012-11-10 00:12:19.000000000 +0900
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@@ -9,8 +9,8 @@
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 ##
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 ##   1. make all              Build all the TINKER executables
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 ##   2. make rename           Move the executables to BINDIR
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-##   3. make remove_links     Create soft links in LINKDIR
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-##   4. make create_links     Remove soft links from LINKDIR
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+##   3. make remove_links     Remove soft links in LINKDIR
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+##   4. make create_links     Create soft links from LINKDIR
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 ##   6. make listing          Concatenate source to tinker.txt
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 ##   5. make clean            Delete objects and executables
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 ##
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@@ -30,9 +30,9 @@
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@@ -30,9 +30,9 @@
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 ##  LINKDIR      Linked Copies of TINKER Executables
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 ##  LINKDIR      Linked Copies of TINKER Executables
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 ##
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 ##
Lines 64-70 Link Here
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53
 
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 ##
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 ##
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 ##  Machine:  Macintosh
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 ##  Machine:  Macintosh
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@@ -592,6 +606,8 @@
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@@ -595,6 +609,8 @@
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            xyzpdb.x \
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            xyzpdb.x \
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            xyzsybyl.x
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            xyzsybyl.x
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Lines 73-79 Link Here
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 .f.o:
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 .f.o:
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 	${F77} ${F77FLAGS} ${OPTFLAGS} $*.f 
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 	${F77} ${F77FLAGS} ${OPTFLAGS} $*.f 
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@@ -601,8 +617,8 @@
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@@ -604,8 +620,8 @@
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 server.o:
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 server.o:
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 	${F77} ${F77FLAGS} ${OPTFLAGS} server.f
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 	${F77} ${F77FLAGS} ${OPTFLAGS} server.f
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68
 
Lines 84-90 Link Here
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73
 
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 all:	${EXEFILES}
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 all:	${EXEFILES}
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@@ -613,65 +629,65 @@
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@@ -616,66 +632,66 @@
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 	cat *.i *.f *.c > tinker.txt
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 	cat *.i *.f *.c > tinker.txt
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78
 
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 rename:
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 rename:
Lines 133-138 Link Here
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-	mv  testgrad.x   $(BINDIR)/testgrad
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-	mv  testgrad.x   $(BINDIR)/testgrad
134
-	mv  testhess.x   $(BINDIR)/testhess
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-	mv  testhess.x   $(BINDIR)/testhess
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-	mv  testpair.x   $(BINDIR)/testpair
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-	mv  testpair.x   $(BINDIR)/testpair
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-	mv  testpol.x    $(BINDIR)/testpol
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-	mv  testrot.x    $(BINDIR)/testrot
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-	mv  testrot.x    $(BINDIR)/testrot
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-	mv  timer.x      $(BINDIR)/timer
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-	mv  timer.x      $(BINDIR)/timer
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-	mv  timerot.x    $(BINDIR)/timerot
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-	mv  timerot.x    $(BINDIR)/timerot
Lines 192-197 Link Here
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+	${BSD_INSTALL_PROGRAM}  testgrad.x   $(BINDIR)/testgrad
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+	${BSD_INSTALL_PROGRAM}  testgrad.x   $(BINDIR)/testgrad
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+	${BSD_INSTALL_PROGRAM}  testhess.x   $(BINDIR)/testhess
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+	${BSD_INSTALL_PROGRAM}  testhess.x   $(BINDIR)/testhess
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+	${BSD_INSTALL_PROGRAM}  testpair.x   $(BINDIR)/testpair
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+	${BSD_INSTALL_PROGRAM}  testpair.x   $(BINDIR)/testpair
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+	${BSD_INSTALL_PROGRAM}  testpol.x    $(BINDIR)/testpol
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+	${BSD_INSTALL_PROGRAM}  testrot.x    $(BINDIR)/testrot
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+	${BSD_INSTALL_PROGRAM}  testrot.x    $(BINDIR)/testrot
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+	${BSD_INSTALL_PROGRAM}  timer.x      $(BINDIR)/timer
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+	${BSD_INSTALL_PROGRAM}  timer.x      $(BINDIR)/timer
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+	${BSD_INSTALL_PROGRAM}  timerot.x    $(BINDIR)/timerot
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+	${BSD_INSTALL_PROGRAM}  timerot.x    $(BINDIR)/timerot
(-)biology/tinker/files/pkg-message.in (-1 / +1 lines)
Lines 3-6 Link Here
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   to him if you find Tinker to be useful.
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   to him if you find Tinker to be useful.
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   See %%DOCSDIR%% for license forms.
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   See %%DOCSDIR%% for license forms.
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**********************************************************"
6
**********************************************************
(-)biology/tinker/pkg-plist (-132 / +143 lines)
Lines 43-48 Link Here
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bin/testgrad
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bin/testgrad
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bin/testhess
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bin/testhess
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bin/testpair
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bin/testpair
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bin/testpol
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bin/testrot
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bin/testrot
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bin/timer
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bin/timer
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bin/timerot
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bin/timerot
Lines 256-261 Link Here
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexanes.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexanes.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexanes.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexanes.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexanes.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexanes.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/iamoeba.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/iamoeba.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/imidazole.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/imidazole.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/imidazole.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/imidazole.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/imidazole.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/imidazole.xyz
Lines 362-367 Link Here
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pyrrole.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pyrrole.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/retinoic.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/retinoic.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/retinoic.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/retinoic.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ring.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ring.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/skunk.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/skunk.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/skunk.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/skunk.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/spc.key
372
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/spc.key
Lines 437-487 Link Here
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/white.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/white.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/white.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/white.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/white.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/white.xyz
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%%PORTDATA%%%%DATADIR%%/bench/0README
445
%%DATADIR%%/bench/0README
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%%PORTDATA%%%%DATADIR%%/bench/bench1.key
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%%DATADIR%%/bench/bench1.key
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%%PORTDATA%%%%DATADIR%%/bench/bench1.run
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%%DATADIR%%/bench/bench1.run
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%%PORTDATA%%%%DATADIR%%/bench/bench1.xyz
448
%%DATADIR%%/bench/bench1.xyz
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%%PORTDATA%%%%DATADIR%%/bench/bench2.key
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%%DATADIR%%/bench/bench2.key
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%%PORTDATA%%%%DATADIR%%/bench/bench2.run
450
%%DATADIR%%/bench/bench2.run
446
%%PORTDATA%%%%DATADIR%%/bench/bench2.xyz
451
%%DATADIR%%/bench/bench2.xyz
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%%PORTDATA%%%%DATADIR%%/bench/bench3.key
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%%DATADIR%%/bench/bench3.key
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%%PORTDATA%%%%DATADIR%%/bench/bench3.run
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%%DATADIR%%/bench/bench3.run
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%%PORTDATA%%%%DATADIR%%/bench/bench3.xyz
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%%DATADIR%%/bench/bench3.xyz
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%%PORTDATA%%%%DATADIR%%/bench/bench4.dyn0
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%%DATADIR%%/bench/bench4.dyn0
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%%PORTDATA%%%%DATADIR%%/bench/bench4.key
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%%DATADIR%%/bench/bench4.key
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%%PORTDATA%%%%DATADIR%%/bench/bench4.log
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%%DATADIR%%/bench/bench4.log
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%%PORTDATA%%%%DATADIR%%/bench/bench4.run
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%%DATADIR%%/bench/bench4.run
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%%PORTDATA%%%%DATADIR%%/bench/bench4.xyz
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%%DATADIR%%/bench/bench4.xyz
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%%PORTDATA%%%%DATADIR%%/bench/bench5.dyn0
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%%DATADIR%%/bench/bench5.dyn0
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%%PORTDATA%%%%DATADIR%%/bench/bench5.key
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%%DATADIR%%/bench/bench5.key
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%%PORTDATA%%%%DATADIR%%/bench/bench5.log
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%%DATADIR%%/bench/bench5.log
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%%PORTDATA%%%%DATADIR%%/bench/bench5.run
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%%DATADIR%%/bench/bench5.run
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%%PORTDATA%%%%DATADIR%%/bench/bench5.xyz
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%%DATADIR%%/bench/bench5.xyz
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%%PORTDATA%%%%DATADIR%%/bench/bench6.key
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%%DATADIR%%/bench/bench6.key
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%%PORTDATA%%%%DATADIR%%/bench/bench6.log
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%%DATADIR%%/bench/bench6.log
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%%PORTDATA%%%%DATADIR%%/bench/bench6.run
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%%DATADIR%%/bench/bench6.run
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%%PORTDATA%%%%DATADIR%%/bench/bench6.xyz
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%%DATADIR%%/bench/bench6.xyz
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%%PORTDATA%%%%DATADIR%%/bench/bench7.key
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%%DATADIR%%/bench/bench7.key
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%%PORTDATA%%%%DATADIR%%/bench/bench7.log
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%%DATADIR%%/bench/bench7.log
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%%PORTDATA%%%%DATADIR%%/bench/bench7.run
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%%DATADIR%%/bench/bench7.run
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%%PORTDATA%%%%DATADIR%%/bench/bench7.xyz
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%%DATADIR%%/bench/bench7.xyz
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%%PORTDATA%%%%DATADIR%%/bench/results-2.3
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%%DATADIR%%/bench/results-2.3
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%%PORTDATA%%%%DATADIR%%/bench/results-2.4
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%%DATADIR%%/bench/results-2.4
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%%PORTDATA%%%%DATADIR%%/bench/results-2.9
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%%DATADIR%%/bench/results-2.9
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%%PORTDATA%%%%DATADIR%%/bench/results-3.1
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%%DATADIR%%/bench/results-3.1
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%%PORTDATA%%%%DATADIR%%/bench/results-3.2
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%%DATADIR%%/bench/results-3.2
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%%PORTDATA%%%%DATADIR%%/bench/results-3.4
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%%DATADIR%%/bench/results-3.4
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%%PORTDATA%%%%DATADIR%%/bench/results-3.5
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%%DATADIR%%/bench/results-3.5
475
%%PORTDATA%%%%DATADIR%%/bench/results-3.7
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%%DATADIR%%/bench/results-3.7
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%%PORTDATA%%%%DATADIR%%/bench/results-3.8
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%%DATADIR%%/bench/results-3.8
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%%PORTDATA%%%%DATADIR%%/bench/results-3.9
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%%DATADIR%%/bench/results-3.9
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%%PORTDATA%%%%DATADIR%%/bench/results-4.0
483
%%DATADIR%%/bench/results-4.0
479
%%PORTDATA%%%%DATADIR%%/bench/results-4.1
484
%%DATADIR%%/bench/results-4.1
480
%%PORTDATA%%%%DATADIR%%/bench/results-4.2
485
%%DATADIR%%/bench/results-4.2
481
%%PORTDATA%%%%DATADIR%%/bench/results-4.3
486
%%DATADIR%%/bench/results-4.3
482
%%PORTDATA%%%%DATADIR%%/bench/results-5.0
487
%%DATADIR%%/bench/results-5.0
483
%%PORTDATA%%%%DATADIR%%/bench/results-5.1
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%%DATADIR%%/bench/results-5.1
484
%%PORTDATA%%%%DATADIR%%/bench/results-6.0
489
%%DATADIR%%/bench/results-6.0
490
%%DATADIR%%/bench/results-6.2
485
%%DATADIR%%/params/0README
491
%%DATADIR%%/params/0README
486
%%DATADIR%%/params/amber94.prm
492
%%DATADIR%%/params/amber94.prm
487
%%DATADIR%%/params/amber96.prm
493
%%DATADIR%%/params/amber96.prm
Lines 497-502 Link Here
497
%%DATADIR%%/params/charmm22cmap.prm
503
%%DATADIR%%/params/charmm22cmap.prm
498
%%DATADIR%%/params/dang.prm
504
%%DATADIR%%/params/dang.prm
499
%%DATADIR%%/params/hoch.prm
505
%%DATADIR%%/params/hoch.prm
506
%%DATADIR%%/params/iwater.prm
500
%%DATADIR%%/params/mm2.prm
507
%%DATADIR%%/params/mm2.prm
501
%%DATADIR%%/params/mm3.prm
508
%%DATADIR%%/params/mm3.prm
502
%%DATADIR%%/params/mm3pro.prm
509
%%DATADIR%%/params/mm3pro.prm
Lines 508-602 Link Here
508
%%DATADIR%%/params/smoothua.prm
515
%%DATADIR%%/params/smoothua.prm
509
%%DATADIR%%/params/tiny.prm
516
%%DATADIR%%/params/tiny.prm
510
%%DATADIR%%/params/water.prm
517
%%DATADIR%%/params/water.prm
511
%%PORTDATA%%%%DATADIR%%/test/0README
518
%%DATADIR%%/test/0README
512
%%PORTDATA%%%%DATADIR%%/test/anion.dat
519
%%DATADIR%%/test/anion.dat
513
%%PORTDATA%%%%DATADIR%%/test/anion.dyn0
520
%%DATADIR%%/test/anion.dyn0
514
%%PORTDATA%%%%DATADIR%%/test/anion.key
521
%%DATADIR%%/test/anion.key
515
%%PORTDATA%%%%DATADIR%%/test/anion.log
522
%%DATADIR%%/test/anion.log
516
%%PORTDATA%%%%DATADIR%%/test/anion.run
523
%%DATADIR%%/test/anion.run
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%%PORTDATA%%%%DATADIR%%/test/anion.xyz
524
%%DATADIR%%/test/anion.xyz
518
%%PORTDATA%%%%DATADIR%%/test/argon.1st
525
%%DATADIR%%/test/argon.1st
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%%PORTDATA%%%%DATADIR%%/test/argon.key
526
%%DATADIR%%/test/argon.key
520
%%PORTDATA%%%%DATADIR%%/test/argon.log
527
%%DATADIR%%/test/argon.log
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%%PORTDATA%%%%DATADIR%%/test/argon.run
528
%%DATADIR%%/test/argon.run
522
%%PORTDATA%%%%DATADIR%%/test/cluster.dat
529
%%DATADIR%%/test/cluster.dat
523
%%PORTDATA%%%%DATADIR%%/test/cluster.key
530
%%DATADIR%%/test/cluster.key
524
%%PORTDATA%%%%DATADIR%%/test/cluster.log
531
%%DATADIR%%/test/cluster.log
525
%%PORTDATA%%%%DATADIR%%/test/cluster.run
532
%%DATADIR%%/test/cluster.run
526
%%PORTDATA%%%%DATADIR%%/test/cluster.xyz
533
%%DATADIR%%/test/cluster.xyz
527
%%PORTDATA%%%%DATADIR%%/test/crambin.key
534
%%DATADIR%%/test/crambin.key
528
%%PORTDATA%%%%DATADIR%%/test/crambin.log
535
%%DATADIR%%/test/crambin.log
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%%PORTDATA%%%%DATADIR%%/test/crambin.pdb
536
%%DATADIR%%/test/crambin.pdb
530
%%PORTDATA%%%%DATADIR%%/test/crambin.run
537
%%DATADIR%%/test/crambin.run
531
%%PORTDATA%%%%DATADIR%%/test/cyclohex.boat
538
%%DATADIR%%/test/cyclohex.boat
532
%%PORTDATA%%%%DATADIR%%/test/cyclohex.chair
539
%%DATADIR%%/test/cyclohex.chair
533
%%PORTDATA%%%%DATADIR%%/test/cyclohex.key
540
%%DATADIR%%/test/cyclohex.key
534
%%PORTDATA%%%%DATADIR%%/test/cyclohex.log
541
%%DATADIR%%/test/cyclohex.log
535
%%PORTDATA%%%%DATADIR%%/test/cyclohex.run
542
%%DATADIR%%/test/cyclohex.run
536
%%PORTDATA%%%%DATADIR%%/test/dhfr.dyn
543
%%DATADIR%%/test/dhfr.dyn
537
%%PORTDATA%%%%DATADIR%%/test/dhfr.key
544
%%DATADIR%%/test/dhfr.key
538
%%PORTDATA%%%%DATADIR%%/test/dhfr.log
545
%%DATADIR%%/test/dhfr.log
539
%%PORTDATA%%%%DATADIR%%/test/dhfr.run
546
%%DATADIR%%/test/dhfr.run
540
%%PORTDATA%%%%DATADIR%%/test/dhfr.xyz
547
%%DATADIR%%/test/dhfr.xyz
541
%%PORTDATA%%%%DATADIR%%/test/dialanine.key
548
%%DATADIR%%/test/dialanine.key
542
%%PORTDATA%%%%DATADIR%%/test/dialanine.log
549
%%DATADIR%%/test/dialanine.log
543
%%PORTDATA%%%%DATADIR%%/test/dialanine.run
550
%%DATADIR%%/test/dialanine.run
544
%%PORTDATA%%%%DATADIR%%/test/dialanine.xyz
551
%%DATADIR%%/test/dialanine.xyz
545
%%PORTDATA%%%%DATADIR%%/test/enkephalin.dat
552
%%DATADIR%%/test/enkephalin.dat
546
%%PORTDATA%%%%DATADIR%%/test/enkephalin.key
553
%%DATADIR%%/test/enkephalin.key
547
%%PORTDATA%%%%DATADIR%%/test/enkephalin.log
554
%%DATADIR%%/test/enkephalin.log
548
%%PORTDATA%%%%DATADIR%%/test/enkephalin.run
555
%%DATADIR%%/test/enkephalin.run
549
%%PORTDATA%%%%DATADIR%%/test/ethanol.000
556
%%DATADIR%%/test/ethanol.000
550
%%PORTDATA%%%%DATADIR%%/test/ethanol.020
557
%%DATADIR%%/test/ethanol.020
551
%%PORTDATA%%%%DATADIR%%/test/ethanol.040
558
%%DATADIR%%/test/ethanol.040
552
%%PORTDATA%%%%DATADIR%%/test/ethanol.060
559
%%DATADIR%%/test/ethanol.060
553
%%PORTDATA%%%%DATADIR%%/test/ethanol.080
560
%%DATADIR%%/test/ethanol.080
554
%%PORTDATA%%%%DATADIR%%/test/ethanol.100
561
%%DATADIR%%/test/ethanol.100
555
%%PORTDATA%%%%DATADIR%%/test/ethanol.120
562
%%DATADIR%%/test/ethanol.120
556
%%PORTDATA%%%%DATADIR%%/test/ethanol.140
563
%%DATADIR%%/test/ethanol.140
557
%%PORTDATA%%%%DATADIR%%/test/ethanol.160
564
%%DATADIR%%/test/ethanol.160
558
%%PORTDATA%%%%DATADIR%%/test/ethanol.180
565
%%DATADIR%%/test/ethanol.180
559
%%PORTDATA%%%%DATADIR%%/test/ethanol.dat
566
%%DATADIR%%/test/ethanol.dat
560
%%PORTDATA%%%%DATADIR%%/test/ethanol.key
567
%%DATADIR%%/test/ethanol.key
561
%%PORTDATA%%%%DATADIR%%/test/ethanol.log
568
%%DATADIR%%/test/ethanol.log
562
%%PORTDATA%%%%DATADIR%%/test/ethanol.run
569
%%DATADIR%%/test/ethanol.run
563
%%PORTDATA%%%%DATADIR%%/test/ethanol.xyz
570
%%DATADIR%%/test/ethanol.xyz
564
%%PORTDATA%%%%DATADIR%%/test/formamide.cell
571
%%DATADIR%%/test/formamide.cell
565
%%PORTDATA%%%%DATADIR%%/test/formamide.dat
572
%%DATADIR%%/test/formamide.dat
566
%%PORTDATA%%%%DATADIR%%/test/formamide.key
573
%%DATADIR%%/test/formamide.key
567
%%PORTDATA%%%%DATADIR%%/test/formamide.log
574
%%DATADIR%%/test/formamide.log
568
%%PORTDATA%%%%DATADIR%%/test/formamide.run
575
%%DATADIR%%/test/formamide.run
569
%%PORTDATA%%%%DATADIR%%/test/gpcr.blk
576
%%DATADIR%%/test/gpcr.blk
570
%%PORTDATA%%%%DATADIR%%/test/gpcr.key
577
%%DATADIR%%/test/gpcr.key
571
%%PORTDATA%%%%DATADIR%%/test/gpcr.log
578
%%DATADIR%%/test/gpcr.log
572
%%PORTDATA%%%%DATADIR%%/test/gpcr.run
579
%%DATADIR%%/test/gpcr.run
573
%%PORTDATA%%%%DATADIR%%/test/gpcr.xyz
580
%%DATADIR%%/test/gpcr.xyz
574
%%PORTDATA%%%%DATADIR%%/test/helix.1st
581
%%DATADIR%%/test/helix.1st
575
%%PORTDATA%%%%DATADIR%%/test/helix.key
582
%%DATADIR%%/test/helix.key
576
%%PORTDATA%%%%DATADIR%%/test/helix.log
583
%%DATADIR%%/test/helix.log
577
%%PORTDATA%%%%DATADIR%%/test/helix.run
584
%%DATADIR%%/test/helix.run
578
%%PORTDATA%%%%DATADIR%%/test/ifabp.dat
585
%%DATADIR%%/test/ice.key
579
%%PORTDATA%%%%DATADIR%%/test/ifabp.key
586
%%DATADIR%%/test/ice.log
580
%%PORTDATA%%%%DATADIR%%/test/ifabp.log
587
%%DATADIR%%/test/ice.run
581
%%PORTDATA%%%%DATADIR%%/test/ifabp.run
588
%%DATADIR%%/test/ice.xyz
582
%%PORTDATA%%%%DATADIR%%/test/ifabp.xyz
589
%%DATADIR%%/test/ifabp.dat
583
%%PORTDATA%%%%DATADIR%%/test/salt.cell
590
%%DATADIR%%/test/ifabp.key
584
%%PORTDATA%%%%DATADIR%%/test/salt.key
591
%%DATADIR%%/test/ifabp.log
585
%%PORTDATA%%%%DATADIR%%/test/salt.log
592
%%DATADIR%%/test/ifabp.run
586
%%PORTDATA%%%%DATADIR%%/test/salt.run
593
%%DATADIR%%/test/ifabp.xyz
587
%%PORTDATA%%%%DATADIR%%/test/tetraala.dat
594
%%DATADIR%%/test/salt.cell
588
%%PORTDATA%%%%DATADIR%%/test/tetraala.key
595
%%DATADIR%%/test/salt.key
589
%%PORTDATA%%%%DATADIR%%/test/tetraala.log
596
%%DATADIR%%/test/salt.log
590
%%PORTDATA%%%%DATADIR%%/test/tetraala.run
597
%%DATADIR%%/test/salt.run
591
%%PORTDATA%%%%DATADIR%%/test/water.key
598
%%DATADIR%%/test/tetraala.dat
592
%%PORTDATA%%%%DATADIR%%/test/water.log
599
%%DATADIR%%/test/tetraala.key
593
%%PORTDATA%%%%DATADIR%%/test/water.pot
600
%%DATADIR%%/test/tetraala.log
594
%%PORTDATA%%%%DATADIR%%/test/water.run
601
%%DATADIR%%/test/tetraala.run
595
%%PORTDATA%%%%DATADIR%%/test/water.xyz
602
%%DATADIR%%/test/water.key
603
%%DATADIR%%/test/water.log
604
%%DATADIR%%/test/water.pot
605
%%DATADIR%%/test/water.run
606
%%DATADIR%%/test/water.xyz
596
%%DATADIR%%/tinker.txt
607
%%DATADIR%%/tinker.txt
597
%%PORTDATA%%@dirrm %%DATADIR%%/test
608
@dirrm %%DATADIR%%/test
598
@dirrm %%DATADIR%%/params
609
@dirrm %%DATADIR%%/params
599
%%PORTDATA%%@dirrm %%DATADIR%%/bench
610
@dirrm %%DATADIR%%/bench
600
@dirrm %%DATADIR%%
611
@dirrm %%DATADIR%%
601
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%
612
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%
602
%%PORTDOCS%%@dirrm %%DOCSDIR%%
613
%%PORTDOCS%%@dirrm %%DOCSDIR%%

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