# This is a shell archive.  Save it in a file, remove anything before
# this line, and then unpack it by entering "sh file".  Note, it may
# create directories; files and directories will be owned by you and
# have default permissions.
#
# This archive contains:
#
#	dlpoly-classic
#	dlpoly-classic/files
#	dlpoly-classic/files/dlpoly-gui.in
#	dlpoly-classic/Makefile
#	dlpoly-classic/distinfo
#	dlpoly-classic/pkg-descr
#	dlpoly-classic/pkg-message
#	dlpoly-classic/pkg-plist
#
echo c - dlpoly-classic
mkdir -p dlpoly-classic > /dev/null 2>&1
echo c - dlpoly-classic/files
mkdir -p dlpoly-classic/files > /dev/null 2>&1
echo x - dlpoly-classic/files/dlpoly-gui.in
sed 's/^X//' >dlpoly-classic/files/dlpoly-gui.in << '8ccece602e9f4e7ef2285d77c91babf8'
X#!/bin/sh
X
Xif [ $# != 1 ]; then
X    printf "Usage: $0 file\n"
X    exit 1
Xfi
X
Xjava -jar %%DATADIR%%/GUI.jar
X
8ccece602e9f4e7ef2285d77c91babf8
echo x - dlpoly-classic/Makefile
sed 's/^X//' >dlpoly-classic/Makefile << 'e6733a6cae96141ac0e8321eafdbd03f'
X############################################################################
X# New ports collection Makefile for:   dlpoly-classic
X# Date created:        21 Jan 2010
X# Whom:                Jason Bacon <jwbacon@tds.net>
X#
X# $FreeBSD$
X#
X############################################################################
X
XPORTNAME=	dlpoly
XPORTVERSION=	1.8
XCATEGORIES=	science java
XMASTER_SITES=	http://ccpforge.cse.rl.ac.uk/gf/download/frsrelease/238/2028/
XPKGNAMESUFFIX=	classic
XDISTNAME=	dl_class_${PORTVERSION}
X
XMAINTAINER=	jwbacon@tds.net
XCOMMENT=	Molecular dynamics simulation package
X
XBUILD_DEPENDS=	${LOCALBASE}/bin/gmake:${PORTSDIR}/devel/gmake \
X		${LOCALBASE}/mpi/openmpi/bin/mpif90:${PORTSDIR}/net/openmpi
XRUN_DEPENDS=	${LOCALBASE}/mpi/openmpi/bin/mpirun:${PORTSDIR}/net/openmpi
X
XOPTIONS=	GUI	"Install Java GUI"		on
X
XUSE_JAVA=	yes
XUSE_FORTRAN=	yes
X
XSUB_FILES=	dlpoly-gui
X
XBUILD_WRKSRC=	${WRKSRC}/source
X
XMPIF90=		${LOCALBASE}/mpi/openmpi/bin/mpif90
X
X.include <bsd.port.pre.mk>
X
X.if defined(WITH_GUI)
XPLIST_FILES+=	bin/dlpoly-gui \
X		${DATADIR_REL}/GUI.jar
XPLIST_DIRS+=	${DATADIR_REL}
X.endif
X
Xpost-patch:
X	${CP} ${WRKSRC}/build/MakePAR ${WRKSRC}/build/MakeSEQ ${BUILD_WRKSRC}
X	${REINPLACE_CMD} 's|gfortran|${FC}|g' ${BUILD_WRKSRC}/MakeSEQ
X	${REINPLACE_CMD} 's|DLPOLY\.X|dlpoly-classic|g' ${BUILD_WRKSRC}/MakeSEQ
X	${REINPLACE_CMD} 's|mpif90|${MPIF90}|g' \
X		${BUILD_WRKSRC}/MakePAR
X	${REINPLACE_CMD} 's|DLPOLY\.X|dlpoly-classic-mpi|g' \
X		${BUILD_WRKSRC}/MakePAR
X
Xdo-build:
X	(cd ${BUILD_WRKSRC} && \
X		${CP} -f MakeSEQ Makefile && \
X		${MAKE} ${FC})
X	(cd ${BUILD_WRKSRC} && \
X		${MAKE} clean && \
X		${CP} -f MakePAR Makefile && \
X		${MAKE} gfortran)
X
Xdo-install:
X	${INSTALL_PROGRAM} ${WRKSRC}/execute/dlpoly-classic ${PREFIX}/bin
X	${INSTALL_PROGRAM} ${WRKSRC}/execute/dlpoly-classic-mpi ${PREFIX}/bin
X.ifndef(NOPORTDOCS)
X	${MKDIR} ${DOCSDIR}
X	${INSTALL_DATA} ${WRKSRC}/manual/* ${DOCSDIR}
X.endif
X.ifndef(NOPORTEXAMPLES)
X	${MKDIR} ${EXAMPLESDIR}
X	${CP} -R ${WRKSRC}/execute ${EXAMPLESDIR}
X	${RM} ${EXAMPLESDIR}/execute/dlpoly*
X.endif
X.if defined(WITH_GUI)
X	${MKDIR} ${DATADIR}
X	${INSTALL_DATA} ${WRKSRC}/java/GUI.jar ${DATADIR}
X	${INSTALL_SCRIPT} ${WRKDIR}/dlpoly-gui ${PREFIX}/bin
X.endif
X
Xpost-install:
X	@${CAT} pkg-message
X
X.include <bsd.port.post.mk>
e6733a6cae96141ac0e8321eafdbd03f
echo x - dlpoly-classic/distinfo
sed 's/^X//' >dlpoly-classic/distinfo << 'bbcc4b809c0b37c3db6020bd385ee198'
XSHA256 (dl_class_1.8.tar.gz) = 4ee7e7ded64dd659ddccca6e26326045ce8f49b59217dcbb404363e5a5daf3d5
XSIZE (dl_class_1.8.tar.gz) = 2769075
bbcc4b809c0b37c3db6020bd385ee198
echo x - dlpoly-classic/pkg-descr
sed 's/^X//' >dlpoly-classic/pkg-descr << '055159969769f4c6214fb6e91179e24f'
XDL_POLY is a general purpose classical molecular dynamics (MD) simulation
Xsoftware developed at Daresbury Laboratory by I.T. Todorov and W. Smith.
X
XWWW: http://ccpforge.cse.rl.ac.uk/gf/project/dl_poly_classic/
055159969769f4c6214fb6e91179e24f
echo x - dlpoly-classic/pkg-message
sed 's/^X//' >dlpoly-classic/pkg-message << 'd6bc18e33bd49a1a71d61a544a1da4a3'
X------------------------------------------------------------------------------
XThis port provides both serial and parallel (MPI) binaries.  Use of
Xthe MPI binary is strongly recommended on any machine with multiple
Xcores available.  The serial binary is provided only for testing and
Xvery small models.
X
XTo run a model on a workstation using 4 cores, use:
X
X	mpirun -n 4 dlpoly-classic-mpi
X
XTo run on a cluster, please see the documentation for your scheduler software.
X------------------------------------------------------------------------------
d6bc18e33bd49a1a71d61a544a1da4a3
echo x - dlpoly-classic/pkg-plist
sed 's/^X//' >dlpoly-classic/pkg-plist << 'c32ecda4ba91ccda3b22001dddba27d2'
Xbin/dlpoly-classic
Xbin/dlpoly-classic-mpi
X%%PORTDOCS%%%%DOCSDIR%%/USRMAN.pdf
X%%PORTEXAMPLES%%%%EXAMPLESDIR%%/execute/README
X%%PORTEXAMPLES%%%%EXAMPLESDIR%%/execute/cleanup
X%%PORTEXAMPLES%%%%EXAMPLESDIR%%/execute/copy
X%%PORTEXAMPLES%%%%EXAMPLESDIR%%/execute/gopoly
X%%PORTEXAMPLES%%%%EXAMPLESDIR%%/execute/gui
X%%PORTEXAMPLES%%%%EXAMPLESDIR%%/execute/select
X%%PORTEXAMPLES%%%%EXAMPLESDIR%%/execute/store
X%%PORTEXAMPLES%%%%EXAMPLESDIR%%/execute/supa
X%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/execute
X%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%
X%%PORTDOCS%%@dirrm %%DOCSDIR%%
c32ecda4ba91ccda3b22001dddba27d2
exit