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# New ports collection makefile for: gromacs
# Date created: August 28 2004
# Whom: Stephen Montgomery-Smith <stephen@math.missouri.edu>
#
# $FreeBSD$
#
PORTNAME= gromacs
PORTVERSION= 3.2.1
PORTREVISION= 4
CATEGORIES= science
MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/
MAINTAINER= stephen@math.missouri.edu
COMMENT= Compute molecular dynamics
.ifndef WITHOUT_FFTW
LIB_DEPENDS= fftw:${PORTSDIR}/math/fftw:install
.endif
.ifdef WITH_MPI
BUILD_DEPENDS= ${LOCALBASE}/mpich/bin/mpicc:${PORTSDIR}/net/mpich
RUN_DEPENDS= ${LOCALBASE}/mpich/bin/mpicc:${PORTSDIR}/net/mpich
.endif
USE_GMAKE= yes
USE_AUTOTOOLS= libtool:15
USE_LDCONFIG= yes
CONFIGURE_ENV= CPPFLAGS=-I${LOCALBASE}/include LDFLAGS=-L${LOCALBASE}/lib
CONFIGURE_ARGS= --exec-prefix=${PREFIX}
PLIST_SUB= BUILD=${MACHINE_ARCH}-portbld-freebsd${OSREL}
.ifndef WITHOUT_FFTW
.ifdef WITH_FLOAT
IGNORE= Cannot currently build with fftw and single precision floating point
.elifdef WITH_MPI
IGNORE= Cannot currently build with fftw and mpi support
.endif
.endif
.ifdef WITHOUT_X
PLIST_SUB+= WITHOUT_X="@comment "
CONFIGURE_ARGS+= --without-x
.else
PLIST_SUB+= WITHOUT_X=
CONFIGURE_ARGS+= --with-x
USE_XORG= x11
.endif
.ifndef WITH_FLOAT
CONFIGURE_ARGS+= --disable-float --program-suffix=
PLIST_SUB+= SUFFIX_D=_d SUFFIX_DOUBLE=_double
.else
PLIST_SUB+= SUFFIX_D= SUFFIX_DOUBLE=
.endif
.ifdef WITHOUT_FFTW
CONFIGURE_ARGS+= --without-fftw
.endif
.ifdef WITH_MPI
CONFIGURE_ARGS+= --enable-mpi
CONFIGURE_ENV+= MPICC=${PREFIX}/mpich/bin/mpicc
PLIST_SUB+= WITH_MPI= SUFFIX_MPI=_mpi WITHOUT_MPI="@comment "
.else
PLIST_SUB+= WITH_MPI="@comment " SUFFIX_MPI= WITHOUT_MPI=
.endif
MAN1= anadock.1 \
g_cluster.1 \
g_filter.1 \
g_potential.1 \
g_velacc.1 \
ngmx.1 \
cdist.1 \
g_clustsize.1 \
g_gyrate.1 \
g_rama.1 \
g_wham.1 \
pdb2gmx.1 \
disco.1 \
g_confrms.1 \
g_h2order.1 \
g_rdf.1 \
genbox.1 \
protonate.1 \
do_dssp.1 \
g_covar.1 \
g_hbond.1 \
g_rms.1 \
genconf.1 \
tpbconv.1 \
editconf.1 \
g_density.1 \
g_helix.1 \
g_rmsdist.1 \
genion.1 \
trjcat.1 \
eneconv.1 \
g_dielectric.1 \
g_lie.1 \
g_rmsf.1 \
genpr.1 \
trjconv.1 \
ffscan.1 \
g_dih.1 \
g_mdmat.1 \
g_rotacf.1 \
gmxcheck.1 \
trjorder.1 \
g_anaeig.1 \
g_dipoles.1 \
g_mindist.1 \
g_saltbr.1 \
gmxdump.1 \
wheel.1 \
g_analyze.1 \
g_disre.1 \
g_morph.1 \
g_sas.1 \
grompp.1 \
x2top.1 \
g_angle.1 \
g_dist.1 \
g_msd.1 \
g_sgangle.1 \
highway.1 \
xpm2ps.1 \
g_bond.1 \
g_dyndom.1 \
g_nmeig.1 \
g_sorient.1 \
make_ndx.1 \
xrama.1 \
g_bundle.1 \
g_enemat.1 \
g_nmens.1 \
g_tcaf.1 \
mdrun.1 \
g_chi.1 \
g_energy.1 \
g_order.1 \
g_traj.1 \
mk_angndx.1
.include <bsd.port.pre.mk>
pre-fetch:
@${ECHO}
@${ECHO} "OPTIONS:"
@${ECHO}
@${ECHO} "To compile without X11: define WITHOUT_X"
@${ECHO} "To compile using single precision floating point: define WITH_FLOAT"
@${ECHO} "To compile without fftw: define WITHOUT_FFTW"
@${ECHO} "To compile with mpi: define WITH_MPI"
@${ECHO}
.include <bsd.port.post.mk>
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