mirror of
https://git.FreeBSD.org/ports.git
synced 2024-12-24 04:33:24 +00:00
160 lines
3.0 KiB
Makefile
160 lines
3.0 KiB
Makefile
# 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= 1
|
|
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_LIBTOOL_VER= 15
|
|
INSTALLS_SHLIB= yes
|
|
CONFIGURE_TARGET= --build=${MACHINE_ARCH}-portbld-freebsd${OSREL}
|
|
CONFIGURE_ENV= CPPFLAGS=-I${LOCALBASE}/include LDFLAGS=-L${LOCALBASE}/lib
|
|
CONFIGURE_ARGS= --exec-prefix=${PREFIX}
|
|
|
|
PLIST_SUB= BUILD=${MACHINE_ARCH}-portbld-freebsd${OSREL}
|
|
|
|
.ifndef WITHOUT_FFTW
|
|
.ifdef WITH_FLOAT
|
|
IGNORE= Cannot currently build with fftw and single precision floating point
|
|
.elifdef WITH_MPI
|
|
IGNORE= Cannot currently build with fftw and mpi support
|
|
.endif
|
|
.endif
|
|
|
|
.ifdef WITHOUT_X
|
|
PLIST_SUB+= WITHOUT_X="@comment "
|
|
CONFIGURE_ARGS+= --without-x
|
|
.else
|
|
PLIST_SUB+= WITHOUT_X=
|
|
CONFIGURE_ARGS+= --with-x
|
|
USE_XLIB= yes
|
|
.endif
|
|
|
|
.ifndef WITH_FLOAT
|
|
CONFIGURE_ARGS+= --disable-float --program-suffix=
|
|
PLIST_SUB+= SUFFIX_D=_d SUFFIX_DOUBLE=_double
|
|
.else
|
|
PLIST_SUB+= SUFFIX_D= SUFFIX_DOUBLE=
|
|
.endif
|
|
|
|
.ifdef WITHOUT_FFTW
|
|
CONFIGURE_ARGS+= --without-fftw
|
|
.endif
|
|
|
|
.ifdef WITH_MPI
|
|
CONFIGURE_ARGS+= --enable-mpi
|
|
CONFIGURE_ENV+= MPICC=${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>
|