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# $FreeBSD$
PORTNAME= dlpoly
PORTVERSION= 1.8
PORTREVISION= 15
CATEGORIES= science java
MASTER_SITES= http://ccpforge.cse.rl.ac.uk/gf/download/frsrelease/238/2028/
PKGNAMESUFFIX= classic
DISTNAME= dl_class_${PORTVERSION}
MAINTAINER= jwb@FreeBSD.org
COMMENT= Molecular dynamics simulation package
BUILD_DEPENDS= ${LOCALBASE}/mpi/openmpi/bin/mpif90:net/openmpi
RUN_DEPENDS= ${LOCALBASE}/mpi/openmpi/bin/mpirun:net/openmpi
OPTIONS_DEFINE= GUI DOCS EXAMPLES
OPTIONS_DEFAULT= GUI
GUI_DESC= Install Java GUI
USES= fortran gmake
SUB_FILES= dlpoly-gui
BUILD_WRKSRC= ${WRKSRC}/source
MPIF90= ${LOCALBASE}/mpi/openmpi/bin/mpif90
GUI_USE= JAVA=yes
GUI_PLIST_FILES= bin/dlpoly-gui \
${DATADIR_REL}/GUI.jar
post-patch:
${CP} ${WRKSRC}/build/MakePAR ${WRKSRC}/build/MakeSEQ ${BUILD_WRKSRC}
${REINPLACE_CMD} 's|gfortran|${FC}|g' ${BUILD_WRKSRC}/MakeSEQ
${REINPLACE_CMD} 's|DLPOLY\.X|dlpoly-classic|g' ${BUILD_WRKSRC}/MakeSEQ
${REINPLACE_CMD} 's|mpif90|${MPIF90}|g' \
${BUILD_WRKSRC}/MakePAR
${REINPLACE_CMD} 's|DLPOLY\.X|dlpoly-classic-mpi|g' \
${BUILD_WRKSRC}/MakePAR
do-build:
(cd ${BUILD_WRKSRC} && \
${CP} -f MakeSEQ Makefile && \
${MAKE} ${FC})
(cd ${BUILD_WRKSRC} && \
${MAKE} clean && \
${CP} -f MakePAR Makefile && \
${MAKE} gfortran)
.include <bsd.port.options.mk>
do-install:
${INSTALL_PROGRAM} ${WRKSRC}/execute/dlpoly-classic ${STAGEDIR}${PREFIX}/bin
${INSTALL_PROGRAM} ${WRKSRC}/execute/dlpoly-classic-mpi ${STAGEDIR}${PREFIX}/bin
@${MKDIR} ${STAGEDIR}${DOCSDIR}
${INSTALL_DATA} ${WRKSRC}/manual/* ${STAGEDIR}${DOCSDIR}
@${MKDIR} ${STAGEDIR}${EXAMPLESDIR}
${CP} -R ${WRKSRC}/execute ${STAGEDIR}${EXAMPLESDIR}
${RM} ${STAGEDIR}${EXAMPLESDIR}/execute/dlpoly*
.if ${PORT_OPTIONS:MGUI}
@${MKDIR} ${STAGEDIR}${DATADIR}
${INSTALL_DATA} ${WRKSRC}/java/GUI.jar ${STAGEDIR}${DATADIR}
${INSTALL_SCRIPT} ${WRKDIR}/dlpoly-gui ${STAGEDIR}${PREFIX}/bin
.endif
.include <bsd.port.mk>
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