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