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564a799c71
USE_GCC=yes has been omitted though. Remove USE_FORTRAN handling from bsd.port.mk and bsd.gcc.mk. Minor cleanups in some ports like USE_GMAKE, NOPORTDOCS,... Exp-run: bdrewery Approved by: portmgr (bdrewery)
164 lines
6.4 KiB
Makefile
164 lines
6.4 KiB
Makefile
# Created by: NAKATA Maho <maho@FreeBSD.org>
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# $FreeBSD$
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PORTNAME= gamess
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PORTVERSION= ${SNAPDATE}
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CATEGORIES= science
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MASTER_SITES= #http://www.msg.ameslab.gov/GAMESS/License_Agreement.html
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DISTNAME= gamess-current
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DIST_SUBDIR= ${PORTNAME}/${PORTVERSION}
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MAINTAINER= maho@FreeBSD.org
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COMMENT= A freely obtainable ab-initio molecular orbital calculation program
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USES= fortran gmake
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WRKSRC= ${WRKDIR}/gamess
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SNAPDATE= 20130501.1
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RESTRICTED= NOT DISTRIBUTED FREELY. BUT YOU CAN OBTAIN SOURCE CODE FREELY.
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.if !exists(${DISTDIR}/${DISTFILES})
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IGNORE=you must manually get the source distribution from master site. http://www.msg.ameslab.gov/GAMESS/download.html. Please select "Source code distribution", and check on "running on Intel compatible PC running Linux". You must have license, and freely obtainable
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.endif
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MANUAL_PACKAGE_BUILD=You must manually get the source distribution from master site. http://www.msg.ameslab.gov/GAMESS/download.html. Please select "Source code distribution", and check on "running on Intel compatible PC running Linux". You must have license, and freely obtainable.
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NO_STAGE= yes
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.include <bsd.port.pre.mk>
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.if exists(${LOCALBASE}/lib/libgoto2.so)
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WITH_BLAS?= gotoblas
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.elif exists(${LOCALBASE}/lib/libatlas.so)
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WITH_BLAS?= atlas
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.else
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WITH_BLAS?= reference
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.endif
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. if ${WITH_BLAS} == reference
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LIB_DEPENDS+= blas:${PORTSDIR}/math/blas
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LIB_DEPENDS+= lapack:${PORTSDIR}/math/lapack
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BLAS= -lblas
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LAPACK= -llapack
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.elif ${WITH_BLAS} == gotoblas
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LIB_DEPENDS+= goto2:${PORTSDIR}/math/gotoblas
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BLAS= -lgoto2p
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LAPACK= -lgoto2p
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.elif ${WITH_BLAS} == atlas
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LIB_DEPENDS+= atlas:${PORTSDIR}/math/atlas
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BLAS= -lptf77blas
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LAPACK= -lalapack -lptcblas
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.endif
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.if defined(WITH_OPTIMIZED_FLAGS)
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.if ${ARCH} == "amd64"
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CFLAGS+= -pipe -O3 -ffast-math -funroll-all-loops -fpeel-loops -ftracer -funswitch-loops -funit-at-a-time
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FFLAGS+= -pipe -O3 -ffast-math -funroll-all-loops -fpeel-loops -ftracer -funswitch-loops -funit-at-a-time
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.elif ${ARCH} == "i386"
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CFLAGS+= -pipe -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double -mcpu=i686 -march=i686 -mfancy-math-387
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FFLAGS+= -pipe -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double -mcpu=i686 -march=i686 -mfancy-math-387
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.endif
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.endif
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#WITH_IFC= yes #currently building with ifc is broken
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.if defined(WITH_IFC)
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FC= ${LOCALBASE}/intel_fc_80/bin/ifort
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F77= ${LOCALBASE}/intel_fc_80/bin/ifort
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CC= ${LOCALBASE}/intel_cc_80/bin/icc
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FFLAGS= -axP -xW -ipo -O3 -Vaxlib
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CFLAGS= -axP -xW -ipo -O3 -Vaxlib
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LIBSVM= -lsvml
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LIBG2C= -lg2c
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.else
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LIBG2C=
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LIBSVM=
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.endif
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.if defined(WITH_IFC)
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FORTRAN= ifort
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.else
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FORTRAN= gfortran
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.endif
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pre-build:
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${CP} ${FILESDIR}/install.info ${WRKSRC}
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${CP} ${FILESDIR}/Makefile.top ${WRKSRC}/Makefile
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@${REINPLACE_CMD} -e 's+%%PREFIX%%+${PREFIX}+g' ${WRKSRC}/gms-files.csh
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.if ${ARCH} == "amd64"
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd64+g' ${WRKSRC}/comp
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd64+g' ${WRKSRC}/compall
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd64+g' ${WRKSRC}/ddi/compddi
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd64+g' ${WRKSRC}/lked
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@${REINPLACE_CMD} -e 's+%%GMS_TARGET%%+freebsd64+g' ${WRKSRC}/install.info
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.elif ${ARCH} == "i386"
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd32+g' ${WRKSRC}/comp
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd32+g' ${WRKSRC}/compall
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd32+g' ${WRKSRC}/ddi/compddi
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@${REINPLACE_CMD} -e 's+%%ARCH%%+freebsd32+g' ${WRKSRC}/lked
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@${REINPLACE_CMD} -e 's+%%GMS_TARGET%%+freebsd32+g' ${WRKSRC}/install.info
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.endif
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@${REINPLACE_CMD} -e 's+%%GMS_PATH%%+${WRKSRC}+g ; \
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s+%%GMS_BUILD_DIR%%+${WRKSRC}+g ; \
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s+%%GMS_FORTRAN%%+${FORTRAN}+g ; \
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s+%%FC%%+${FC}+g ; \
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s+%%GMS_GFORTRAN_VERNO%%+${GCC_DEFAULT_VERSION}+g ; \
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s+%%GMS_DDI_COMM%%+sockets+g ; \
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s+%%GMS_MATHLIB%%+none+g ; \
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s+%%GMS_MATHLIB_PATH%%+${LOCALBASE}/lib+g' ${WRKSRC}/install.info
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${REINPLACE_CMD} -e 's+%%FC%%+${FC}+g ; \
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s+%%LDFLAGS%%+${LDFLAGS}+g ; \
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s+%%LOCALBASE%%+${LOCALBASE}+g ; \
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s+%%LIBSVM%%+${LIBSVM}+g ; \
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s+%%LIBG2C%%+${LIBG2C}+g ; \
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s+%%BLAS%%+${BLAS}+g ; \
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s+%%PTHREAD_LIBS%%+${PTHREAD_LIBS}+g' \
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${WRKSRC}/lked
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${REINPLACE_CMD} -e 's+%%FC%%+${FC}+g ; \
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s+%%FFLAGS%%+${FFLAGS}+g' \
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${WRKSRC}/comp
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${REINPLACE_CMD} -e 's+%%CC%%+${CC}+g' \
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${WRKSRC}/compall
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${REINPLACE_CMD} -e 's+%%PREFIX%%+${PREFIX}+g' \
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${WRKSRC}/rungms
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${REINPLACE_CMD} -e 's+%%FC%%+${FC}+g ; \
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s+%%GMS_FORTRAN%%+${FORTRAN}+g ; \
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s+%%PTHREAD_CFLAGS%%+${PTHREAD_CFLAGS}+g ; \
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s+%%PTHREAD_LIBS%%+${PTHREAD_LIBS}+g ; \
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s+%%UNDERSCORES%%+${UNDERSCORES}+g ; \
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s+%%CC%%+${CC}+g' \
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${WRKSRC}/ddi/compddi
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${CP} ${FILESDIR}/Makefile.tools ${WRKSRC}/tools/Makefile
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${REINPLACE_CMD} -e 's+%%FC%%+${FC}+g ; \
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s+%%FFLAGS%%+${FFLAGS}+g' \
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${WRKSRC}/tools/Makefile
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do-build:
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(cd ${WRKSRC}; ${GMAKE})
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do-install:
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${MKDIR} ${PREFIX}/bin/gms
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${MKDIR} ${PREFIX}/share/gamess
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${MKDIR} ${PREFIX}/share/gamess/mcpdata
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${MKDIR} ${PREFIX}/share/doc/gamess
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${MKDIR} ${PREFIX}/share/examples/gamess
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${INSTALL_SCRIPT} ${WRKDIR}/gamess/rungms ${PREFIX}/bin/gamess
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${CHMOD} 555 ${PREFIX}/bin/gamess
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${INSTALL_SCRIPT} ${WRKDIR}/gamess/gms-files.csh ${PREFIX}/bin/gms
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${INSTALL_PROGRAM} ${WRKDIR}/gamess/gamess.00.x ${PREFIX}/bin/gms
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${INSTALL_PROGRAM} ${WRKDIR}/gamess/ddi/ddikick.x ${PREFIX}/bin/gms
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${INSTALL_DATA} ${WRKDIR}/gamess/*.DOC ${PREFIX}/share/doc/gamess/
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${INSTALL_DATA} ${WRKDIR}/gamess/tests/standard/*.inp ${PREFIX}/share/examples/gamess/
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${MKDIR} ${PREFIX}/share/gamess/auxdata
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${MKDIR} ${PREFIX}/share/gamess/auxdata/BASES
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${MKDIR} ${PREFIX}/share/gamess/auxdata/EFP
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${MKDIR} ${PREFIX}/share/gamess/auxdata/MCP
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${MKDIR} ${PREFIX}/share/gamess/auxdata/QUANPOL
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${INSTALL_DATA} ${WRKDIR}/gamess/auxdata/ericfmt.dat ${PREFIX}/share/gamess/auxdata/
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${INSTALL_DATA} ${WRKDIR}/gamess/auxdata/BASES/* ${PREFIX}/share/gamess/auxdata/BASES
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${INSTALL_DATA} ${WRKDIR}/gamess/auxdata/EFP/* ${PREFIX}/share/gamess/auxdata/EFP
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${INSTALL_DATA} ${WRKDIR}/gamess/auxdata/MCP/* ${PREFIX}/share/gamess/auxdata/MCP
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${INSTALL_DATA} ${WRKDIR}/gamess/auxdata/QUANPOL/* ${PREFIX}/share/gamess/auxdata/QUANPOL
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${INSTALL_DATA} ${WRKDIR}/gamess/ddi/readme.ddi ${PREFIX}/share/doc/gamess/
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.include <bsd.port.post.mk>
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