4 files changed, 387 insertions, 444 deletions

diff --git a/biology/tinker/Makefile b/biology/tinker/Makefile
index aaafaf3a2f4f..d344589f45a3 100644
--- a/biology/tinker/Makefile
+++ b/biology/tinker/Makefile
@@ -6,18 +6,17 @@
 #
 
 PORTNAME=	tinker
-PORTVERSION=	4.1
+PORTVERSION=	4.2.20040819
 CATEGORIES=	biology
 MASTER_SITES=	ftp://dasher.wustl.edu/pub/
 DISTNAME=	${PORTNAME}
+DIST_SUBDIR=	${PORTNAME}-${PORTVERSION}
 
 MAINTAINER=	ports@FreeBSD.org
 COMMENT=	A general purpose molecular modelling package
 
 BUILD_DEPENDS=	imake:${X_IMAKE_PORT}
 
-BROKEN=		Distfile has been updated to version 4.2.  Port needs update
-
 MAKE_ENV+=	HAVE_G2C=yes INSTALL_PROGRAM="${INSTALL_PROGRAM}"
 
 WRKSRC=		${WRKDIR}/tinker/source
@@ -28,13 +27,20 @@ INSTALL_TARGET=	rename
 USE_REINPLACE=	yes
 RESTRICTED=	author requests no distribution except from his FTP site
 
-pre-fetch:
-	@${ECHO_MSG} ""
-	@${ECHO_MSG} If you get a CHECKSUM mismatch, try doing a \'make distclean\' first.
-	@${ECHO_MSG} ""
+DOCS=		README *.pdf *.txt release*
+SAMPLES=	README clean.make *.1st *.boat *.cell *.chair *.dat *.dyn0	\
+		*.key *.log *.pdb *.run *.xyz
+BENCHES=	README *.dyn0 *.log *.key *.run *.xyz results*
 
 .include <bsd.port.pre.mk>
 
+.if defined(WITH_OPTIMIZED_FLAGS)
+FFLAGS+=	-O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations
+.if (${ARCH} == "i386")
+FFLAGS+=	-mfancy-math-387 -malign-double
+.endif # i386
+.endif
+
 .if defined(WITH_VIEWER)
 USE_XLIB=	yes
 PLIST_SUB+=	WITH_VIEWER=""
@@ -49,12 +55,6 @@ pre-extract:
 	@${ECHO_MSG} ""
 .endif
 
-.if defined(WITH_OPTIMIZED_FLAGS)
-FFLAGS+=	-O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations
-.if (${MACHINE_ARCH} == "i386")
-FFLAGS+=	-mfancy-math-387 -malign-double
-.endif # i386
-.endif
 pre-everything::
 .if !defined(WITH_OPTIMIZED_FLAGS)
 	@${ECHO_MSG} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
@@ -67,82 +67,34 @@ post-patch:
 	@${REINPLACE_CMD} -e 's,%%FFLAGS%%,${FFLAGS},g' ${WRKSRC}/../make/Makefile
 
 post-install:
-	@${MKDIR} ${PREFIX}/share/tinker
-	@${MKDIR} ${PREFIX}/share/tinker/params
+	@${MKDIR} ${DATADIR}/params
 	@${INSTALL_DATA} ${WRKDIR}/tinker/source/tinker.txt \
-${PREFIX}/share/tinker
+		${DATADIR}
 	@${INSTALL_DATA} ${WRKDIR}/tinker/params/* \
-${PREFIX}/share/tinker/params
-
+		${DATADIR}/params
 .if !defined(NOPORTDOCS)
-	@${MKDIR} ${PREFIX}/share/doc/tinker
-	@${MKDIR} ${PREFIX}/share/examples/tinker
-	@${MKDIR} ${PREFIX}/share/tinker/bench
-	@${MKDIR} ${PREFIX}/share/tinker/test
-	@${INSTALL_DATA} ${WRKDIR}/tinker/doc/README \
-${PREFIX}/share/doc/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/doc/*.pdf \
-${PREFIX}/share/doc/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/doc/*.txt \
-${PREFIX}/share/doc/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/doc/release* \
-${PREFIX}/share/doc/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/example/README \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_SCRIPT} ${WRKDIR}/tinker/example/clean.make \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/example/*.1st \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/example/*.boat \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/example/*.cell \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/example/*.chair \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/example/*.dat \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/example/*.dyn0 \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/example/*.key \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/example/*.log \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/example/*.pdb \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/example/*.xyz \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_SCRIPT} ${WRKDIR}/tinker/example/*.run \
-${PREFIX}/share/examples/tinker
-	@${INSTALL_DATA} ${WRKDIR}/tinker/bench/README \
-${PREFIX}/share/tinker/bench
-	@${INSTALL_DATA} ${WRKDIR}/tinker/bench/*.dyn0 \
-${PREFIX}/share/tinker/bench
-	@${INSTALL_DATA} ${WRKDIR}/tinker/bench/*.log \
-${PREFIX}/share/tinker/bench
-	@${INSTALL_DATA} ${WRKDIR}/tinker/bench/*.key \
-${PREFIX}/share/tinker/bench
-	@${INSTALL_SCRIPT} ${WRKDIR}/tinker/bench/*.run \
-${PREFIX}/share/tinker/bench
-	@${INSTALL_DATA} ${WRKDIR}/tinker/bench/*.xyz \
-${PREFIX}/share/tinker/bench
-	@${INSTALL_DATA} ${WRKDIR}/tinker/bench/results* \
-${PREFIX}/share/tinker/bench
-	@${INSTALL_DATA} ${WRKDIR}/tinker/test/* ${PREFIX}/share/tinker/test
+	@${MKDIR} ${DOCSDIR}
+	@${MKDIR} ${EXAMPLESDIR}
+	@${MKDIR} ${DATADIR}/bench
+	@${MKDIR} ${DATADIR}/test
+	@${INSTALL_DATA} ${DOCS:S|^|${WRKDIR}/tinker/doc/|} ${DOCSDIR}
+	@${INSTALL_DATA} ${SAMPLES:S|^|${WRKDIR}/tinker/example/|} ${EXAMPLESDIR}
+	@${INSTALL_DATA} ${BENCHES:S|^|${WRKDIR}/tinker/bench/|} ${DATADIR}/bench
+	@${INSTALL_DATA} ${WRKDIR}/tinker/test/* ${DATADIR}/test
 .endif
-
 .if defined(WITH_VIEWER)
-	@${MKDIR} ${PREFIX}/share/tinker/rasmol
+	@${MKDIR} ${DATADIR}/rasmol
 	@${INSTALL_PROGRAM} ${WRKDIR}/tinker/rasmol/tview-* ${PREFIX}/bin
 	@${INSTALL_SCRIPT} ${FILESDIR}/tview ${PREFIX}/bin
 	@${INSTALL_DATA} ${WRKDIR}/tinker/rasmol/rasmol.hlp \
-		${PREFIX}/share/tinker/rasmol
+		${DATADIR}/rasmol
 .endif
 	@${ECHO_MSG} ""
 	@${ECHO_MSG} "   **********************************************************"
 	@${ECHO_MSG} "       The author requests that you return a license form    "
 	@${ECHO_MSG} "       to him if you find Tinker to be useful.               "
 	@${ECHO_MSG} "                                                             "
-	@${ECHO_MSG} "       See ${PREFIX}/share/doc/tinker for license forms.     "
+	@${ECHO_MSG} "       See ${DOCSDIR} for license forms.     "
 	@${ECHO_MSG} "   **********************************************************"
 	@${ECHO_MSG} ""
 
diff --git a/biology/tinker/distinfo b/biology/tinker/distinfo
index 9f464b07bcfd..84a9c240921c 100644
--- a/biology/tinker/distinfo
+++ b/biology/tinker/distinfo
@@ -1 +1,2 @@
-MD5 (tinker.tar.gz) = 5d02d9ae2964b232b2edcbd5ef3c478e
+MD5 (tinker-4.2.20040819/tinker.tar.gz) = ac4d54ee05451bac3ed1ce51b27087bf
+SIZE (tinker-4.2.20040819/tinker.tar.gz) = 8177366
diff --git a/biology/tinker/files/patch-aa b/biology/tinker/files/patch-aa
index f115ed7936b5..3ac9a9e15f8a 100644
--- a/biology/tinker/files/patch-aa
+++ b/biology/tinker/files/patch-aa
@@ -1,5 +1,5 @@
---- ../make/Makefile.orig	Sat Apr 19 03:32:36 2003
-+++ ../make/Makefile	Fri Jul 25 11:33:40 2003
+--- ../make/Makefile.orig	Thu Aug 19 17:37:44 2004
++++ ../make/Makefile	Thu Aug 19 22:52:41 2004
 @@ -9,8 +9,8 @@
  ##
  ##   1. make all              Build all the TINKER executables
@@ -24,25 +24,6 @@
  
  ####################################################################
  ##  Known Machine Types; Uncomment One of the Following Sections  ##
-@@ -101,12 +101,12 @@
- ##  Compiler: Intel Fortran
- ##
- 
--F77 = /usr/intel/compiler70/ia32/bin/ifc
--LIBS =
--F77FLAGS = -c
--OPTFLAGS = -O2 -cm -w
--LIBFLAGS = -crusv
--LINKFLAGS = -Vaxlib
-+#F77 = /usr/intel/compiler70/ia32/bin/ifc
-+#LIBS =
-+#F77FLAGS = -c
-+#OPTFLAGS = -O2 -cm -w
-+#LIBFLAGS = -crusv
-+#LINKFLAGS = -Vaxlib
- 
- ##
- ##  Machine:  IntelPC / Linux
 @@ -122,6 +122,20 @@
  #LIBFLAGS = -crusv
  #LINKFLAGS =
@@ -64,7 +45,7 @@
  #################################################################
  ##  Should not be Necessary to Change Things Below this Point  ##
  #################################################################
-@@ -522,11 +536,13 @@
+@@ -529,11 +543,13 @@
             xyzpdb.x \
             xyzsybyl.x
  
@@ -80,7 +61,7 @@
  
  all:	${EXEFILES}
  
-@@ -537,58 +553,58 @@
+@@ -544,59 +560,59 @@
  	cat *.i *.f > tinker.txt
  
  rename:
@@ -110,6 +91,7 @@
 -	mv  path.x       $(BINDIR)/path
 -	mv  pdbxyz.x     $(BINDIR)/pdbxyz
 -	mv  polarize.x   $(BINDIR)/polarize
+-	mv  prmedit.x    $(BINDIR)/prmedit
 -	mv  protein.x    $(BINDIR)/protein
 -	mv  pss.x        $(BINDIR)/pss
 -	mv  pssrigid.x   $(BINDIR)/pssrigid
@@ -162,6 +144,7 @@
 +	${INSTALL_PROGRAM}  path.x       $(BINDIR)/path
 +	${INSTALL_PROGRAM}  pdbxyz.x     $(BINDIR)/pdbxyz
 +	${INSTALL_PROGRAM}  polarize.x   $(BINDIR)/polarize
++	${INSTALL_PROGRAM}  prmedit.x    $(BINDIR)/prmedit
 +	${INSTALL_PROGRAM}  protein.x    $(BINDIR)/protein
 +	${INSTALL_PROGRAM}  pss.x        $(BINDIR)/pss
 +	${INSTALL_PROGRAM}  pssrigid.x   $(BINDIR)/pssrigid
diff --git a/biology/tinker/pkg-plist b/biology/tinker/pkg-plist
index b7d3ffb5ca15..f9e728d8df1c 100644
--- a/biology/tinker/pkg-plist
+++ b/biology/tinker/pkg-plist
@@ -24,6 +24,7 @@ bin/optrigid
 bin/path
 bin/pdbxyz
 bin/polarize
+bin/prmedit
 bin/protein
 bin/pss
 bin/pssrigid
@@ -55,6 +56,7 @@ bin/xyzint
 bin/xyzpdb
 bin/xyzsybyl
 %%PORTDOCS%%%%DOCSDIR%%/README
+%%PORTDOCS%%%%DOCSDIR%%/ffe-guide.pdf
 %%PORTDOCS%%%%DOCSDIR%%/guide.pdf
 %%PORTDOCS%%%%DOCSDIR%%/guide.txt
 %%PORTDOCS%%%%DOCSDIR%%/license.pdf
@@ -66,6 +68,7 @@ bin/xyzsybyl
 %%PORTDOCS%%%%DOCSDIR%%/release-3.9
 %%PORTDOCS%%%%DOCSDIR%%/release-4.0
 %%PORTDOCS%%%%DOCSDIR%%/release-4.1
+%%PORTDOCS%%%%DOCSDIR%%/release-4.2
 %%PORTDOCS%%%%DOCSDIR%%/summary.pdf
 %%PORTDOCS%%%%DOCSDIR%%/summary.txt
 %%PORTDOCS%%share/examples/tinker/README
@@ -115,350 +118,354 @@ bin/xyzsybyl
 %%PORTDOCS%%share/examples/tinker/salt.key
 %%PORTDOCS%%share/examples/tinker/salt.log
 %%PORTDOCS%%share/examples/tinker/salt.run
-%%PORTDOCS%%share/tinker/bench/README
-%%PORTDOCS%%share/tinker/bench/bench1.key
-%%PORTDOCS%%share/tinker/bench/bench1.run
-%%PORTDOCS%%share/tinker/bench/bench1.xyz
-%%PORTDOCS%%share/tinker/bench/bench2.key
-%%PORTDOCS%%share/tinker/bench/bench2.run
-%%PORTDOCS%%share/tinker/bench/bench2.xyz
-%%PORTDOCS%%share/tinker/bench/bench3.key
-%%PORTDOCS%%share/tinker/bench/bench3.run
-%%PORTDOCS%%share/tinker/bench/bench3.xyz
-%%PORTDOCS%%share/tinker/bench/bench4.dyn0
-%%PORTDOCS%%share/tinker/bench/bench4.key
-%%PORTDOCS%%share/tinker/bench/bench4.log
-%%PORTDOCS%%share/tinker/bench/bench4.run
-%%PORTDOCS%%share/tinker/bench/bench4.xyz
-%%PORTDOCS%%share/tinker/bench/bench5.dyn0
-%%PORTDOCS%%share/tinker/bench/bench5.key
-%%PORTDOCS%%share/tinker/bench/bench5.log
-%%PORTDOCS%%share/tinker/bench/bench5.run
-%%PORTDOCS%%share/tinker/bench/bench5.xyz
-%%PORTDOCS%%share/tinker/bench/results-2.3
-%%PORTDOCS%%share/tinker/bench/results-2.4
-%%PORTDOCS%%share/tinker/bench/results-2.9
-%%PORTDOCS%%share/tinker/bench/results-3.1
-%%PORTDOCS%%share/tinker/bench/results-3.2
-%%PORTDOCS%%share/tinker/bench/results-3.4
-%%PORTDOCS%%share/tinker/bench/results-3.5
-%%PORTDOCS%%share/tinker/bench/results-3.7
-%%PORTDOCS%%share/tinker/bench/results-3.8
-%%PORTDOCS%%share/tinker/bench/results-3.9
-%%PORTDOCS%%share/tinker/bench/results-4.0
-%%PORTDOCS%%share/tinker/bench/results-4.1
-share/tinker/params/README
-share/tinker/params/amber94.prm
-share/tinker/params/amber96.prm
-share/tinker/params/amber98.prm
-share/tinker/params/amber99.prm
-share/tinker/params/amoeba.prm
-share/tinker/params/charmm19.prm
-share/tinker/params/charmm27.prm
-share/tinker/params/dudek.prm
-share/tinker/params/hoch.prm
-share/tinker/params/mm2.prm
-share/tinker/params/mm3.prm
-share/tinker/params/mm3pro.prm
-share/tinker/params/oplsaa.prm
-share/tinker/params/oplsaal.prm
-share/tinker/params/oplsua.prm
-share/tinker/params/smooth.prm
-share/tinker/params/smoothaa.prm
-share/tinker/params/water.prm
-%%WITH_VIEWER%%share/tinker/rasmol/rasmol.hlp
-%%PORTDOCS%%share/tinker/test/README
-%%PORTDOCS%%share/tinker/test/alkane.key
-%%PORTDOCS%%share/tinker/test/alkane.xyz
-%%PORTDOCS%%share/tinker/test/amoeba.key
-%%PORTDOCS%%share/tinker/test/amoeba.xyz
-%%PORTDOCS%%share/tinker/test/arach.int
-%%PORTDOCS%%share/tinker/test/arach.key
-%%PORTDOCS%%share/tinker/test/arach.xyz
-%%PORTDOCS%%share/tinker/test/azulene.int
-%%PORTDOCS%%share/tinker/test/azulene.key
-%%PORTDOCS%%share/tinker/test/azulene.xyz
-%%PORTDOCS%%share/tinker/test/bdna.int
-%%PORTDOCS%%share/tinker/test/bdna.key
-%%PORTDOCS%%share/tinker/test/bdna.make
-%%PORTDOCS%%share/tinker/test/bdna.seq
-%%PORTDOCS%%share/tinker/test/bdna.xyz
-%%PORTDOCS%%share/tinker/test/bearing.key
-%%PORTDOCS%%share/tinker/test/bearing.xyz
-%%PORTDOCS%%share/tinker/test/bearing2.key
-%%PORTDOCS%%share/tinker/test/bearing2.xyz
-%%PORTDOCS%%share/tinker/test/benzene.int
-%%PORTDOCS%%share/tinker/test/benzene.key
-%%PORTDOCS%%share/tinker/test/benzene.xyz
-%%PORTDOCS%%share/tinker/test/bowl.int
-%%PORTDOCS%%share/tinker/test/bowl.key
-%%PORTDOCS%%share/tinker/test/bowl.xyz
-%%PORTDOCS%%share/tinker/test/bowl2.key
-%%PORTDOCS%%share/tinker/test/bowl2.xyz
-%%PORTDOCS%%share/tinker/test/bowl3.key
-%%PORTDOCS%%share/tinker/test/bowl3.xyz
-%%PORTDOCS%%share/tinker/test/bucky.int
-%%PORTDOCS%%share/tinker/test/bucky.key
-%%PORTDOCS%%share/tinker/test/bucky.xyz
-%%PORTDOCS%%share/tinker/test/butane.int
-%%PORTDOCS%%share/tinker/test/butane.key
-%%PORTDOCS%%share/tinker/test/butane.xyz
-%%PORTDOCS%%share/tinker/test/butane2.int
-%%PORTDOCS%%share/tinker/test/butane2.key
-%%PORTDOCS%%share/tinker/test/butane2.xyz
-%%PORTDOCS%%share/tinker/test/butanes.dyn
-%%PORTDOCS%%share/tinker/test/butanes.key
-%%PORTDOCS%%share/tinker/test/butanes.xyz
-%%PORTDOCS%%share/tinker/test/butanex.key
-%%PORTDOCS%%share/tinker/test/butanex.xyz
-%%PORTDOCS%%share/tinker/test/butopls.int
-%%PORTDOCS%%share/tinker/test/butopls.key
-%%PORTDOCS%%share/tinker/test/butopls.xyz
-%%PORTDOCS%%share/tinker/test/butopls2.int
-%%PORTDOCS%%share/tinker/test/butopls2.key
-%%PORTDOCS%%share/tinker/test/butopls2.xyz
-%%PORTDOCS%%share/tinker/test/c5.key
-%%PORTDOCS%%share/tinker/test/c5.seq
-%%PORTDOCS%%share/tinker/test/c5.xyz
-%%PORTDOCS%%share/tinker/test/c7a.key
-%%PORTDOCS%%share/tinker/test/c7a.seq
-%%PORTDOCS%%share/tinker/test/c7a.xyz
-%%PORTDOCS%%share/tinker/test/c7e.key
-%%PORTDOCS%%share/tinker/test/c7e.seq
-%%PORTDOCS%%share/tinker/test/c7e.xyz
-%%PORTDOCS%%share/tinker/test/calmodulin.key
-%%PORTDOCS%%share/tinker/test/calmodulin.pdb
-%%PORTDOCS%%share/tinker/test/calmodulin.seq
-%%PORTDOCS%%share/tinker/test/calmodulin.xyz
-%%PORTDOCS%%share/tinker/test/copper.key
-%%PORTDOCS%%share/tinker/test/copper.xyz
-%%PORTDOCS%%share/tinker/test/cpentene.key
-%%PORTDOCS%%share/tinker/test/cpentene.xyz
-%%PORTDOCS%%share/tinker/test/crambin.key
-%%PORTDOCS%%share/tinker/test/crambin.pdb
-%%PORTDOCS%%share/tinker/test/crambin.seq
-%%PORTDOCS%%share/tinker/test/crambin.xyz
-%%PORTDOCS%%share/tinker/test/crambinx.key
-%%PORTDOCS%%share/tinker/test/crambinx.ray
-%%PORTDOCS%%share/tinker/test/crambinx.xyz
-%%PORTDOCS%%share/tinker/test/crown.int
-%%PORTDOCS%%share/tinker/test/crown.key
-%%PORTDOCS%%share/tinker/test/crown.xyz
-%%PORTDOCS%%share/tinker/test/cychept.int
-%%PORTDOCS%%share/tinker/test/cychept.key
-%%PORTDOCS%%share/tinker/test/cychept.xyz
-%%PORTDOCS%%share/tinker/test/cyclo.int
-%%PORTDOCS%%share/tinker/test/cyclo.key
-%%PORTDOCS%%share/tinker/test/cyclo.xyz
-%%PORTDOCS%%share/tinker/test/cyclo2.int
-%%PORTDOCS%%share/tinker/test/cyclo2.key
-%%PORTDOCS%%share/tinker/test/cyclo2.xyz
-%%PORTDOCS%%share/tinker/test/dang.key
-%%PORTDOCS%%share/tinker/test/dang.xyz
-%%PORTDOCS%%share/tinker/test/diamond.key
-%%PORTDOCS%%share/tinker/test/diamond.xyz
-%%PORTDOCS%%share/tinker/test/diene.int
-%%PORTDOCS%%share/tinker/test/diene.key
-%%PORTDOCS%%share/tinker/test/diene.xyz
-%%PORTDOCS%%share/tinker/test/dimethane.key
-%%PORTDOCS%%share/tinker/test/dimethane.xyz
-%%PORTDOCS%%share/tinker/test/enkephalin.int
-%%PORTDOCS%%share/tinker/test/enkephalin.key
-%%PORTDOCS%%share/tinker/test/enkephalin.make
-%%PORTDOCS%%share/tinker/test/enkephalin.seq
-%%PORTDOCS%%share/tinker/test/enkephalin.xyz
-%%PORTDOCS%%share/tinker/test/ermer.int
-%%PORTDOCS%%share/tinker/test/ermer.key
-%%PORTDOCS%%share/tinker/test/ermer.xyz
-%%PORTDOCS%%share/tinker/test/ester.key
-%%PORTDOCS%%share/tinker/test/ester.xyz
-%%PORTDOCS%%share/tinker/test/ethane.int
-%%PORTDOCS%%share/tinker/test/ethane.key
-%%PORTDOCS%%share/tinker/test/ethane.xyz
-%%PORTDOCS%%share/tinker/test/ethanol.int
-%%PORTDOCS%%share/tinker/test/ethanol.key
-%%PORTDOCS%%share/tinker/test/ethanol.xyz
-%%PORTDOCS%%share/tinker/test/ethylene.int
-%%PORTDOCS%%share/tinker/test/ethylene.key
-%%PORTDOCS%%share/tinker/test/ethylene.xyz
-%%PORTDOCS%%share/tinker/test/flane.int
-%%PORTDOCS%%share/tinker/test/flane.key
-%%PORTDOCS%%share/tinker/test/flane.xyz
-%%PORTDOCS%%share/tinker/test/form.key
-%%PORTDOCS%%share/tinker/test/form.xyz
-%%PORTDOCS%%share/tinker/test/formbig.key
-%%PORTDOCS%%share/tinker/test/formbig.xyz
-%%PORTDOCS%%share/tinker/test/formbox.dyn
-%%PORTDOCS%%share/tinker/test/formbox.key
-%%PORTDOCS%%share/tinker/test/formbox.xyz
-%%PORTDOCS%%share/tinker/test/furan.int
-%%PORTDOCS%%share/tinker/test/furan.key
-%%PORTDOCS%%share/tinker/test/furan.xyz
-%%PORTDOCS%%share/tinker/test/glucose.key
-%%PORTDOCS%%share/tinker/test/glucose.xyz
-%%PORTDOCS%%share/tinker/test/glycerol.dyn
-%%PORTDOCS%%share/tinker/test/glycerol.key
-%%PORTDOCS%%share/tinker/test/glycerol.xyz
-%%PORTDOCS%%share/tinker/test/graphite.key
-%%PORTDOCS%%share/tinker/test/graphite.xyz
-%%PORTDOCS%%share/tinker/test/helix.dyn
-%%PORTDOCS%%share/tinker/test/helix.key
-%%PORTDOCS%%share/tinker/test/helix.xyz
-%%PORTDOCS%%share/tinker/test/heme.key
-%%PORTDOCS%%share/tinker/test/heme.xyz
-%%PORTDOCS%%share/tinker/test/hexane.int
-%%PORTDOCS%%share/tinker/test/hexane.key
-%%PORTDOCS%%share/tinker/test/hexane.xyz
-%%PORTDOCS%%share/tinker/test/hexanes.dyn
-%%PORTDOCS%%share/tinker/test/hexanes.key
-%%PORTDOCS%%share/tinker/test/hexanes.run
-%%PORTDOCS%%share/tinker/test/hexanes.xyz
-%%PORTDOCS%%share/tinker/test/imidazole.int
-%%PORTDOCS%%share/tinker/test/imidazole.key
-%%PORTDOCS%%share/tinker/test/imidazole.xyz
-%%PORTDOCS%%share/tinker/test/imine.int
-%%PORTDOCS%%share/tinker/test/imine.key
-%%PORTDOCS%%share/tinker/test/imine.xyz
-%%PORTDOCS%%share/tinker/test/lactam.key
-%%PORTDOCS%%share/tinker/test/lactam.xyz
-%%PORTDOCS%%share/tinker/test/lipid.key
-%%PORTDOCS%%share/tinker/test/lipid.xyz
-%%PORTDOCS%%share/tinker/test/melittin.key
-%%PORTDOCS%%share/tinker/test/melittin.pdb
-%%PORTDOCS%%share/tinker/test/melittin.seq
-%%PORTDOCS%%share/tinker/test/melittin.xyz
-%%PORTDOCS%%share/tinker/test/membrane.key
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+%%PORTDOCS%%%%DATADIR%%/test/tfe.key
+%%PORTDOCS%%%%DATADIR%%/test/tfe.xyz
+%%PORTDOCS%%%%DATADIR%%/test/thiadiene.int
+%%PORTDOCS%%%%DATADIR%%/test/thiadiene.key
+%%PORTDOCS%%%%DATADIR%%/test/thiadiene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/thiophene.int
+%%PORTDOCS%%%%DATADIR%%/test/thiophene.key
+%%PORTDOCS%%%%DATADIR%%/test/thiophene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/thr.int
+%%PORTDOCS%%%%DATADIR%%/test/thr.key
+%%PORTDOCS%%%%DATADIR%%/test/thr.xyz
+%%PORTDOCS%%%%DATADIR%%/test/tip3f.key
+%%PORTDOCS%%%%DATADIR%%/test/tip3f.xyz
+%%PORTDOCS%%%%DATADIR%%/test/tip3p.key
+%%PORTDOCS%%%%DATADIR%%/test/tip3p.xyz
+%%PORTDOCS%%%%DATADIR%%/test/tip4f.key
+%%PORTDOCS%%%%DATADIR%%/test/tip4f.xyz
+%%PORTDOCS%%%%DATADIR%%/test/tip4p.key
+%%PORTDOCS%%%%DATADIR%%/test/tip4p.xyz
+%%PORTDOCS%%%%DATADIR%%/test/tip5p.key
+%%PORTDOCS%%%%DATADIR%%/test/tip5p.xyz
+%%PORTDOCS%%%%DATADIR%%/test/trpcage.key
+%%PORTDOCS%%%%DATADIR%%/test/trpcage.pdb
+%%PORTDOCS%%%%DATADIR%%/test/trpcage.seq
+%%PORTDOCS%%%%DATADIR%%/test/trpcage.xyz
+%%PORTDOCS%%%%DATADIR%%/test/water.int
+%%PORTDOCS%%%%DATADIR%%/test/water.key
+%%PORTDOCS%%%%DATADIR%%/test/water.xyz
+%%PORTDOCS%%%%DATADIR%%/test/waterbig.key
+%%PORTDOCS%%%%DATADIR%%/test/waterbig.xyz
+%%PORTDOCS%%%%DATADIR%%/test/waterbox.dyn
+%%PORTDOCS%%%%DATADIR%%/test/waterbox.key
+%%PORTDOCS%%%%DATADIR%%/test/waterbox.xyz
+%%PORTDOCS%%%%DATADIR%%/test/waterdot.dyn
+%%PORTDOCS%%%%DATADIR%%/test/waterdot.key
+%%PORTDOCS%%%%DATADIR%%/test/waterdot.xyz
+%%PORTDOCS%%%%DATADIR%%/test/waterhuge.key
+%%PORTDOCS%%%%DATADIR%%/test/waterhuge.xyz
+%%PORTDOCS%%%%DATADIR%%/test/watersmall.dyn
+%%PORTDOCS%%%%DATADIR%%/test/watersmall.key
+%%PORTDOCS%%%%DATADIR%%/test/watersmall.xyz
+%%PORTDOCS%%%%DATADIR%%/test/watertiny.dyn
+%%PORTDOCS%%%%DATADIR%%/test/watertiny.key
+%%PORTDOCS%%%%DATADIR%%/test/watertiny.xyz
+%%PORTDOCS%%%%DATADIR%%/test/white.int
+%%PORTDOCS%%%%DATADIR%%/test/white.key
+%%PORTDOCS%%%%DATADIR%%/test/white.xyz
+%%DATADIR%%/tinker.txt
 %%PORTDOCS%%@dirrm %%DOCSDIR%%
 %%PORTDOCS%%@dirrm share/examples/tinker
-%%PORTDOCS%%@dirrm share/tinker/bench
-@dirrm share/tinker/params
-%%WITH_VIEWER%%@dirrm share/tinker/rasmol
-%%PORTDOCS%%@dirrm share/tinker/test
-@dirrm share/tinker
+%%PORTDOCS%%@dirrm %%DATADIR%%/bench
+@dirrm %%DATADIR%%/params
+%%WITH_VIEWER%%@dirrm %%DATADIR%%/rasmol
+%%PORTDOCS%%@dirrm %%DATADIR%%/test
+@dirrm %%DATADIR%%