Date: Sat, 23 Mar 2013 03:26:49 +0900 From: KATO Tsuguru <tkato432@yahoo.com> To: FreeBSD-gnats-submit@FreeBSD.org Subject: ports/177261: biology/tinker: Update to version 6.2.01 Message-ID: <20130323032649.fa9f0d159cb6a0ec2eacb552@yahoo.com> Resent-Message-ID: <201303221840.r2MIe6Am020242@freefall.freebsd.org>
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>Number: 177261 >Category: ports >Synopsis: biology/tinker: Update to version 6.2.01 >Confidential: no >Severity: non-critical >Priority: low >Responsible: freebsd-ports-bugs >State: open >Quarter: >Keywords: >Date-Required: >Class: change-request >Submitter-Id: current-users >Arrival-Date: Fri Mar 22 18:40:05 UTC 2013 >Closed-Date: >Last-Modified: >Originator: KATO Tsuguru >Release: FreeBSD 7.4-RELEASE-p10 i386 >Organization: >Environment: >Description: - Update to version 6.2.01 >How-To-Repeat: >Fix: diff -urN /usr/ports/biology/tinker/Makefile biology/tinker/Makefile --- /usr/ports/biology/tinker/Makefile 2012-12-01 17:12:20.000000000 +0900 +++ biology/tinker/Makefile 2013-03-21 16:16:10.000000000 +0900 @@ -2,7 +2,7 @@ # $FreeBSD: head/biology/tinker/Makefile 308054 2012-12-01 00:00:43Z sperber $ PORTNAME= tinker -PORTVERSION= 6.1.01 +PORTVERSION= 6.2.01 CATEGORIES= biology MASTER_SITES= http://dasher.wustl.edu/tinker/downloads/ @@ -11,8 +11,7 @@ RESTRICTED= author requests no distribution except from his FTP site -OPTIONS_DEFINE= OPTIMIZED_FFLAGS DATA DOCS EXAMPLES -OPTIONS_DEFAULT=DATA +OPTIONS_DEFINE= OPTIMIZED_FFLAGS DOCS EXAMPLES OPTIMIZED_FFLAGS_DESC= compilation optimizations WRKSRC= ${WRKDIR}/${PORTNAME} @@ -28,9 +27,6 @@ SUB_FILES= pkg-message -DOCS= 0README *.pdf *.txt -SAMPLES= 0README *.make *.dyn *.int *.frac *.key *.seq *.pdb *.xyz -BENCHES= 0README *.dyn0 *.log *.key *.run *.xyz results* .include <bsd.port.pre.mk> @@ -41,31 +37,29 @@ .endif # i386 .endif -.if empty(PORT_OPTIONS:MDATA) -NOPORTDATA= yes -.endif - post-extract: @${CHMOD} -R u+w ${WRKSRC} post-install: @${MKDIR} ${DATADIR} - ${INSTALL_DATA} ${INSTALL_WRKSRC}/tinker.txt ${DATADIR} - @${MKDIR} ${DATADIR}/params - ${INSTALL_DATA} ${WRKSRC}/params/* ${DATADIR}/params -.if ${PORT_OPTIONS:MDATA} + (cd ${INSTALL_WRKSRC} && ${INSTALL_DATA} tinker.txt ${DATADIR}) @${MKDIR} ${DATADIR}/bench - ${INSTALL_DATA} ${BENCHES:S|^|${WRKSRC}/bench/|} ${DATADIR}/bench + (cd ${WRKSRC}/bench && ${INSTALL_DATA} \ + 0README *.dyn0 *.log *.key *.run *.xyz results* \ + ${DATADIR}/bench) + @${MKDIR} ${DATADIR}/params + (cd ${WRKSRC}/params && ${INSTALL_DATA} * ${DATADIR}/params) @${MKDIR} ${DATADIR}/test - ${INSTALL_DATA} ${WRKSRC}/test/* ${DATADIR}/test -.endif + (cd ${WRKSRC}/test && ${INSTALL_DATA} * ${DATADIR}/test) .if ${PORT_OPTIONS:MDOCS} @${MKDIR} ${DOCSDIR} - ${INSTALL_DATA} ${DOCS:S|^|${WRKSRC}/doc/|} ${DOCSDIR} + (cd ${WRKSRC}/doc && ${INSTALL_DATA} 0README *.pdf *.txt ${DOCSDIR}) .endif .if ${PORT_OPTIONS:MEXAMPLES} @${MKDIR} ${EXAMPLESDIR} - ${INSTALL_DATA} ${SAMPLES:S|^|${WRKSRC}/example/|} ${EXAMPLESDIR} + (cd ${WRKSRC}/example && ${INSTALL_DATA} \ + 0README *.make *.dyn *.int *.frac *.key *.seq *.pdb *.xyz \ + ${EXAMPLESDIR}) .endif @${ECHO_CMD} @${CAT} ${PKGMESSAGE} diff -urN /usr/ports/biology/tinker/distinfo biology/tinker/distinfo --- /usr/ports/biology/tinker/distinfo 2012-12-01 17:12:20.000000000 +0900 +++ biology/tinker/distinfo 2013-03-21 08:59:50.000000000 +0900 @@ -1,2 +1,2 @@ -SHA256 (tinker-6.1.01.tar.gz) = fa287c381fd866822b19396fa152406b8463421f0a27902867cdbbf6b67233e4 -SIZE (tinker-6.1.01.tar.gz) = 19478639 +SHA256 (tinker-6.2.01.tar.gz) = a19fd7e1b5afa7b55245b50f3358c43ae88efd664185ca32506e5ee9d504c88d +SIZE (tinker-6.2.01.tar.gz) = 19561083 diff -urN /usr/ports/biology/tinker/files/patch-make__Makefile biology/tinker/files/patch-make__Makefile --- /usr/ports/biology/tinker/files/patch-make__Makefile 2012-12-01 17:12:19.000000000 +0900 +++ biology/tinker/files/patch-make__Makefile 2013-03-21 16:00:23.000000000 +0900 @@ -1,16 +1,5 @@ --- make/Makefile.orig 2012-06-29 14:51:42.000000000 +0900 +++ make/Makefile 2012-11-10 00:12:19.000000000 +0900 -@@ -9,8 +9,8 @@ - ## - ## 1. make all Build all the TINKER executables - ## 2. make rename Move the executables to BINDIR --## 3. make remove_links Create soft links in LINKDIR --## 4. make create_links Remove soft links from LINKDIR -+## 3. make remove_links Remove soft links in LINKDIR -+## 4. make create_links Create soft links from LINKDIR - ## 6. make listing Concatenate source to tinker.txt - ## 5. make clean Delete objects and executables - ## @@ -30,9 +30,9 @@ ## LINKDIR Linked Copies of TINKER Executables ## @@ -64,7 +53,7 @@ ## ## Machine: Macintosh -@@ -592,6 +606,8 @@ +@@ -595,6 +609,8 @@ xyzpdb.x \ xyzsybyl.x @@ -73,7 +62,7 @@ .f.o: ${F77} ${F77FLAGS} ${OPTFLAGS} $*.f -@@ -601,8 +617,8 @@ +@@ -604,8 +620,8 @@ server.o: ${F77} ${F77FLAGS} ${OPTFLAGS} server.f @@ -84,7 +73,7 @@ all: ${EXEFILES} -@@ -613,65 +629,65 @@ +@@ -616,66 +632,66 @@ cat *.i *.f *.c > tinker.txt rename: @@ -133,6 +122,7 @@ - mv testgrad.x $(BINDIR)/testgrad - mv testhess.x $(BINDIR)/testhess - mv testpair.x $(BINDIR)/testpair +- mv testpol.x $(BINDIR)/testpol - mv testrot.x $(BINDIR)/testrot - mv timer.x $(BINDIR)/timer - mv timerot.x $(BINDIR)/timerot @@ -192,6 +182,7 @@ + ${BSD_INSTALL_PROGRAM} testgrad.x $(BINDIR)/testgrad + ${BSD_INSTALL_PROGRAM} testhess.x $(BINDIR)/testhess + ${BSD_INSTALL_PROGRAM} testpair.x $(BINDIR)/testpair ++ ${BSD_INSTALL_PROGRAM} testpol.x $(BINDIR)/testpol + ${BSD_INSTALL_PROGRAM} testrot.x $(BINDIR)/testrot + ${BSD_INSTALL_PROGRAM} timer.x $(BINDIR)/timer + ${BSD_INSTALL_PROGRAM} timerot.x $(BINDIR)/timerot diff -urN /usr/ports/biology/tinker/files/pkg-message.in biology/tinker/files/pkg-message.in --- /usr/ports/biology/tinker/files/pkg-message.in 2012-12-01 17:12:19.000000000 +0900 +++ biology/tinker/files/pkg-message.in 2013-03-21 16:14:04.000000000 +0900 @@ -3,4 +3,4 @@ to him if you find Tinker to be useful. See %%DOCSDIR%% for license forms. -**********************************************************" +********************************************************** diff -urN /usr/ports/biology/tinker/pkg-plist biology/tinker/pkg-plist --- /usr/ports/biology/tinker/pkg-plist 2012-12-01 17:12:20.000000000 +0900 +++ biology/tinker/pkg-plist 2013-03-21 16:17:52.000000000 +0900 @@ -43,6 +43,7 @@ bin/testgrad bin/testhess bin/testpair +bin/testpol bin/testrot bin/timer bin/timerot @@ -256,6 +257,8 @@ %%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexanes.dyn %%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexanes.key %%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexanes.xyz +%%PORTEXAMPLES%%%%EXAMPLESDIR%%/iamoeba.key +%%PORTEXAMPLES%%%%EXAMPLESDIR%%/iamoeba.xyz %%PORTEXAMPLES%%%%EXAMPLESDIR%%/imidazole.int %%PORTEXAMPLES%%%%EXAMPLESDIR%%/imidazole.key %%PORTEXAMPLES%%%%EXAMPLESDIR%%/imidazole.xyz @@ -362,6 +365,8 @@ %%PORTEXAMPLES%%%%EXAMPLESDIR%%/pyrrole.xyz %%PORTEXAMPLES%%%%EXAMPLESDIR%%/retinoic.key %%PORTEXAMPLES%%%%EXAMPLESDIR%%/retinoic.xyz +%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ring.key +%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ring.xyz %%PORTEXAMPLES%%%%EXAMPLESDIR%%/skunk.key %%PORTEXAMPLES%%%%EXAMPLESDIR%%/skunk.xyz %%PORTEXAMPLES%%%%EXAMPLESDIR%%/spc.key @@ -437,51 +442,52 @@ %%PORTEXAMPLES%%%%EXAMPLESDIR%%/white.int %%PORTEXAMPLES%%%%EXAMPLESDIR%%/white.key %%PORTEXAMPLES%%%%EXAMPLESDIR%%/white.xyz -%%PORTDATA%%%%DATADIR%%/bench/0README -%%PORTDATA%%%%DATADIR%%/bench/bench1.key -%%PORTDATA%%%%DATADIR%%/bench/bench1.run -%%PORTDATA%%%%DATADIR%%/bench/bench1.xyz -%%PORTDATA%%%%DATADIR%%/bench/bench2.key -%%PORTDATA%%%%DATADIR%%/bench/bench2.run -%%PORTDATA%%%%DATADIR%%/bench/bench2.xyz -%%PORTDATA%%%%DATADIR%%/bench/bench3.key -%%PORTDATA%%%%DATADIR%%/bench/bench3.run -%%PORTDATA%%%%DATADIR%%/bench/bench3.xyz -%%PORTDATA%%%%DATADIR%%/bench/bench4.dyn0 -%%PORTDATA%%%%DATADIR%%/bench/bench4.key -%%PORTDATA%%%%DATADIR%%/bench/bench4.log -%%PORTDATA%%%%DATADIR%%/bench/bench4.run -%%PORTDATA%%%%DATADIR%%/bench/bench4.xyz -%%PORTDATA%%%%DATADIR%%/bench/bench5.dyn0 -%%PORTDATA%%%%DATADIR%%/bench/bench5.key -%%PORTDATA%%%%DATADIR%%/bench/bench5.log -%%PORTDATA%%%%DATADIR%%/bench/bench5.run -%%PORTDATA%%%%DATADIR%%/bench/bench5.xyz -%%PORTDATA%%%%DATADIR%%/bench/bench6.key -%%PORTDATA%%%%DATADIR%%/bench/bench6.log -%%PORTDATA%%%%DATADIR%%/bench/bench6.run -%%PORTDATA%%%%DATADIR%%/bench/bench6.xyz -%%PORTDATA%%%%DATADIR%%/bench/bench7.key -%%PORTDATA%%%%DATADIR%%/bench/bench7.log -%%PORTDATA%%%%DATADIR%%/bench/bench7.run -%%PORTDATA%%%%DATADIR%%/bench/bench7.xyz -%%PORTDATA%%%%DATADIR%%/bench/results-2.3 -%%PORTDATA%%%%DATADIR%%/bench/results-2.4 -%%PORTDATA%%%%DATADIR%%/bench/results-2.9 -%%PORTDATA%%%%DATADIR%%/bench/results-3.1 -%%PORTDATA%%%%DATADIR%%/bench/results-3.2 -%%PORTDATA%%%%DATADIR%%/bench/results-3.4 -%%PORTDATA%%%%DATADIR%%/bench/results-3.5 -%%PORTDATA%%%%DATADIR%%/bench/results-3.7 -%%PORTDATA%%%%DATADIR%%/bench/results-3.8 -%%PORTDATA%%%%DATADIR%%/bench/results-3.9 -%%PORTDATA%%%%DATADIR%%/bench/results-4.0 -%%PORTDATA%%%%DATADIR%%/bench/results-4.1 -%%PORTDATA%%%%DATADIR%%/bench/results-4.2 -%%PORTDATA%%%%DATADIR%%/bench/results-4.3 -%%PORTDATA%%%%DATADIR%%/bench/results-5.0 -%%PORTDATA%%%%DATADIR%%/bench/results-5.1 -%%PORTDATA%%%%DATADIR%%/bench/results-6.0 +%%DATADIR%%/bench/0README +%%DATADIR%%/bench/bench1.key +%%DATADIR%%/bench/bench1.run +%%DATADIR%%/bench/bench1.xyz +%%DATADIR%%/bench/bench2.key +%%DATADIR%%/bench/bench2.run +%%DATADIR%%/bench/bench2.xyz +%%DATADIR%%/bench/bench3.key +%%DATADIR%%/bench/bench3.run +%%DATADIR%%/bench/bench3.xyz +%%DATADIR%%/bench/bench4.dyn0 +%%DATADIR%%/bench/bench4.key +%%DATADIR%%/bench/bench4.log +%%DATADIR%%/bench/bench4.run +%%DATADIR%%/bench/bench4.xyz +%%DATADIR%%/bench/bench5.dyn0 +%%DATADIR%%/bench/bench5.key +%%DATADIR%%/bench/bench5.log +%%DATADIR%%/bench/bench5.run +%%DATADIR%%/bench/bench5.xyz +%%DATADIR%%/bench/bench6.key +%%DATADIR%%/bench/bench6.log +%%DATADIR%%/bench/bench6.run +%%DATADIR%%/bench/bench6.xyz +%%DATADIR%%/bench/bench7.key +%%DATADIR%%/bench/bench7.log +%%DATADIR%%/bench/bench7.run +%%DATADIR%%/bench/bench7.xyz +%%DATADIR%%/bench/results-2.3 +%%DATADIR%%/bench/results-2.4 +%%DATADIR%%/bench/results-2.9 +%%DATADIR%%/bench/results-3.1 +%%DATADIR%%/bench/results-3.2 +%%DATADIR%%/bench/results-3.4 +%%DATADIR%%/bench/results-3.5 +%%DATADIR%%/bench/results-3.7 +%%DATADIR%%/bench/results-3.8 +%%DATADIR%%/bench/results-3.9 +%%DATADIR%%/bench/results-4.0 +%%DATADIR%%/bench/results-4.1 +%%DATADIR%%/bench/results-4.2 +%%DATADIR%%/bench/results-4.3 +%%DATADIR%%/bench/results-5.0 +%%DATADIR%%/bench/results-5.1 +%%DATADIR%%/bench/results-6.0 +%%DATADIR%%/bench/results-6.2 %%DATADIR%%/params/0README %%DATADIR%%/params/amber94.prm %%DATADIR%%/params/amber96.prm @@ -497,6 +503,7 @@ %%DATADIR%%/params/charmm22cmap.prm %%DATADIR%%/params/dang.prm %%DATADIR%%/params/hoch.prm +%%DATADIR%%/params/iwater.prm %%DATADIR%%/params/mm2.prm %%DATADIR%%/params/mm3.prm %%DATADIR%%/params/mm3pro.prm @@ -508,95 +515,99 @@ %%DATADIR%%/params/smoothua.prm %%DATADIR%%/params/tiny.prm %%DATADIR%%/params/water.prm -%%PORTDATA%%%%DATADIR%%/test/0README -%%PORTDATA%%%%DATADIR%%/test/anion.dat -%%PORTDATA%%%%DATADIR%%/test/anion.dyn0 -%%PORTDATA%%%%DATADIR%%/test/anion.key -%%PORTDATA%%%%DATADIR%%/test/anion.log -%%PORTDATA%%%%DATADIR%%/test/anion.run -%%PORTDATA%%%%DATADIR%%/test/anion.xyz -%%PORTDATA%%%%DATADIR%%/test/argon.1st -%%PORTDATA%%%%DATADIR%%/test/argon.key -%%PORTDATA%%%%DATADIR%%/test/argon.log -%%PORTDATA%%%%DATADIR%%/test/argon.run -%%PORTDATA%%%%DATADIR%%/test/cluster.dat -%%PORTDATA%%%%DATADIR%%/test/cluster.key -%%PORTDATA%%%%DATADIR%%/test/cluster.log -%%PORTDATA%%%%DATADIR%%/test/cluster.run -%%PORTDATA%%%%DATADIR%%/test/cluster.xyz -%%PORTDATA%%%%DATADIR%%/test/crambin.key -%%PORTDATA%%%%DATADIR%%/test/crambin.log -%%PORTDATA%%%%DATADIR%%/test/crambin.pdb -%%PORTDATA%%%%DATADIR%%/test/crambin.run -%%PORTDATA%%%%DATADIR%%/test/cyclohex.boat -%%PORTDATA%%%%DATADIR%%/test/cyclohex.chair -%%PORTDATA%%%%DATADIR%%/test/cyclohex.key -%%PORTDATA%%%%DATADIR%%/test/cyclohex.log -%%PORTDATA%%%%DATADIR%%/test/cyclohex.run -%%PORTDATA%%%%DATADIR%%/test/dhfr.dyn -%%PORTDATA%%%%DATADIR%%/test/dhfr.key -%%PORTDATA%%%%DATADIR%%/test/dhfr.log -%%PORTDATA%%%%DATADIR%%/test/dhfr.run -%%PORTDATA%%%%DATADIR%%/test/dhfr.xyz -%%PORTDATA%%%%DATADIR%%/test/dialanine.key -%%PORTDATA%%%%DATADIR%%/test/dialanine.log -%%PORTDATA%%%%DATADIR%%/test/dialanine.run -%%PORTDATA%%%%DATADIR%%/test/dialanine.xyz -%%PORTDATA%%%%DATADIR%%/test/enkephalin.dat -%%PORTDATA%%%%DATADIR%%/test/enkephalin.key -%%PORTDATA%%%%DATADIR%%/test/enkephalin.log -%%PORTDATA%%%%DATADIR%%/test/enkephalin.run -%%PORTDATA%%%%DATADIR%%/test/ethanol.000 -%%PORTDATA%%%%DATADIR%%/test/ethanol.020 -%%PORTDATA%%%%DATADIR%%/test/ethanol.040 -%%PORTDATA%%%%DATADIR%%/test/ethanol.060 -%%PORTDATA%%%%DATADIR%%/test/ethanol.080 -%%PORTDATA%%%%DATADIR%%/test/ethanol.100 -%%PORTDATA%%%%DATADIR%%/test/ethanol.120 -%%PORTDATA%%%%DATADIR%%/test/ethanol.140 -%%PORTDATA%%%%DATADIR%%/test/ethanol.160 -%%PORTDATA%%%%DATADIR%%/test/ethanol.180 -%%PORTDATA%%%%DATADIR%%/test/ethanol.dat -%%PORTDATA%%%%DATADIR%%/test/ethanol.key -%%PORTDATA%%%%DATADIR%%/test/ethanol.log -%%PORTDATA%%%%DATADIR%%/test/ethanol.run -%%PORTDATA%%%%DATADIR%%/test/ethanol.xyz -%%PORTDATA%%%%DATADIR%%/test/formamide.cell -%%PORTDATA%%%%DATADIR%%/test/formamide.dat -%%PORTDATA%%%%DATADIR%%/test/formamide.key -%%PORTDATA%%%%DATADIR%%/test/formamide.log -%%PORTDATA%%%%DATADIR%%/test/formamide.run -%%PORTDATA%%%%DATADIR%%/test/gpcr.blk -%%PORTDATA%%%%DATADIR%%/test/gpcr.key -%%PORTDATA%%%%DATADIR%%/test/gpcr.log -%%PORTDATA%%%%DATADIR%%/test/gpcr.run -%%PORTDATA%%%%DATADIR%%/test/gpcr.xyz -%%PORTDATA%%%%DATADIR%%/test/helix.1st -%%PORTDATA%%%%DATADIR%%/test/helix.key -%%PORTDATA%%%%DATADIR%%/test/helix.log -%%PORTDATA%%%%DATADIR%%/test/helix.run -%%PORTDATA%%%%DATADIR%%/test/ifabp.dat -%%PORTDATA%%%%DATADIR%%/test/ifabp.key -%%PORTDATA%%%%DATADIR%%/test/ifabp.log -%%PORTDATA%%%%DATADIR%%/test/ifabp.run -%%PORTDATA%%%%DATADIR%%/test/ifabp.xyz -%%PORTDATA%%%%DATADIR%%/test/salt.cell -%%PORTDATA%%%%DATADIR%%/test/salt.key -%%PORTDATA%%%%DATADIR%%/test/salt.log -%%PORTDATA%%%%DATADIR%%/test/salt.run -%%PORTDATA%%%%DATADIR%%/test/tetraala.dat -%%PORTDATA%%%%DATADIR%%/test/tetraala.key -%%PORTDATA%%%%DATADIR%%/test/tetraala.log -%%PORTDATA%%%%DATADIR%%/test/tetraala.run -%%PORTDATA%%%%DATADIR%%/test/water.key -%%PORTDATA%%%%DATADIR%%/test/water.log -%%PORTDATA%%%%DATADIR%%/test/water.pot -%%PORTDATA%%%%DATADIR%%/test/water.run -%%PORTDATA%%%%DATADIR%%/test/water.xyz +%%DATADIR%%/test/0README +%%DATADIR%%/test/anion.dat +%%DATADIR%%/test/anion.dyn0 +%%DATADIR%%/test/anion.key +%%DATADIR%%/test/anion.log +%%DATADIR%%/test/anion.run +%%DATADIR%%/test/anion.xyz +%%DATADIR%%/test/argon.1st +%%DATADIR%%/test/argon.key +%%DATADIR%%/test/argon.log +%%DATADIR%%/test/argon.run +%%DATADIR%%/test/cluster.dat +%%DATADIR%%/test/cluster.key +%%DATADIR%%/test/cluster.log +%%DATADIR%%/test/cluster.run +%%DATADIR%%/test/cluster.xyz +%%DATADIR%%/test/crambin.key +%%DATADIR%%/test/crambin.log +%%DATADIR%%/test/crambin.pdb +%%DATADIR%%/test/crambin.run +%%DATADIR%%/test/cyclohex.boat +%%DATADIR%%/test/cyclohex.chair +%%DATADIR%%/test/cyclohex.key +%%DATADIR%%/test/cyclohex.log +%%DATADIR%%/test/cyclohex.run +%%DATADIR%%/test/dhfr.dyn +%%DATADIR%%/test/dhfr.key +%%DATADIR%%/test/dhfr.log +%%DATADIR%%/test/dhfr.run +%%DATADIR%%/test/dhfr.xyz +%%DATADIR%%/test/dialanine.key +%%DATADIR%%/test/dialanine.log +%%DATADIR%%/test/dialanine.run +%%DATADIR%%/test/dialanine.xyz +%%DATADIR%%/test/enkephalin.dat +%%DATADIR%%/test/enkephalin.key +%%DATADIR%%/test/enkephalin.log +%%DATADIR%%/test/enkephalin.run +%%DATADIR%%/test/ethanol.000 +%%DATADIR%%/test/ethanol.020 +%%DATADIR%%/test/ethanol.040 +%%DATADIR%%/test/ethanol.060 +%%DATADIR%%/test/ethanol.080 +%%DATADIR%%/test/ethanol.100 +%%DATADIR%%/test/ethanol.120 +%%DATADIR%%/test/ethanol.140 +%%DATADIR%%/test/ethanol.160 +%%DATADIR%%/test/ethanol.180 +%%DATADIR%%/test/ethanol.dat +%%DATADIR%%/test/ethanol.key +%%DATADIR%%/test/ethanol.log +%%DATADIR%%/test/ethanol.run +%%DATADIR%%/test/ethanol.xyz +%%DATADIR%%/test/formamide.cell +%%DATADIR%%/test/formamide.dat +%%DATADIR%%/test/formamide.key +%%DATADIR%%/test/formamide.log +%%DATADIR%%/test/formamide.run +%%DATADIR%%/test/gpcr.blk +%%DATADIR%%/test/gpcr.key +%%DATADIR%%/test/gpcr.log +%%DATADIR%%/test/gpcr.run +%%DATADIR%%/test/gpcr.xyz +%%DATADIR%%/test/helix.1st +%%DATADIR%%/test/helix.key +%%DATADIR%%/test/helix.log +%%DATADIR%%/test/helix.run +%%DATADIR%%/test/ice.key +%%DATADIR%%/test/ice.log +%%DATADIR%%/test/ice.run +%%DATADIR%%/test/ice.xyz +%%DATADIR%%/test/ifabp.dat +%%DATADIR%%/test/ifabp.key +%%DATADIR%%/test/ifabp.log +%%DATADIR%%/test/ifabp.run +%%DATADIR%%/test/ifabp.xyz +%%DATADIR%%/test/salt.cell +%%DATADIR%%/test/salt.key +%%DATADIR%%/test/salt.log +%%DATADIR%%/test/salt.run +%%DATADIR%%/test/tetraala.dat +%%DATADIR%%/test/tetraala.key +%%DATADIR%%/test/tetraala.log +%%DATADIR%%/test/tetraala.run +%%DATADIR%%/test/water.key +%%DATADIR%%/test/water.log +%%DATADIR%%/test/water.pot +%%DATADIR%%/test/water.run +%%DATADIR%%/test/water.xyz %%DATADIR%%/tinker.txt -%%PORTDATA%%@dirrm %%DATADIR%%/test +@dirrm %%DATADIR%%/test @dirrm %%DATADIR%%/params -%%PORTDATA%%@dirrm %%DATADIR%%/bench +@dirrm %%DATADIR%%/bench @dirrm %%DATADIR%% %%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%% %%PORTDOCS%%@dirrm %%DOCSDIR%% >Release-Note: >Audit-Trail: >Unformatted:
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