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204 lines
4.2 KiB
Makefile
204 lines
4.2 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= 4.5.4
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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= flo@FreeBSD.org
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COMMENT= Compute molecular dynamics
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USE_GNOME= libxml2
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USE_GMAKE= yes
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USE_AUTOTOOLS= libtool
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USE_LDCONFIG= yes
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CONFIGURE_ENV= CPPFLAGS=-I${LOCALBASE}/include LDFLAGS=-L${LOCALBASE}/lib
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CONFIGURE_ARGS= --exec-prefix=${PREFIX} --program-suffix="" --enable-shared
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PLIST_SUB= BUILD=${MACHINE_ARCH}-portbld-freebsd${OSREL}
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OPTIONS= FFTW3 "Use FFT routines from math/fftw3" on \
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FFTW2 "Use FFT routines from math/fftw" off \
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GSL "Enable extra analysis using math/gsl" on \
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FLOAT "Use single instead of double precision" off \
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X11 "Build and install X11 programs" on \
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MPICH "Enable MPI support using net/mpich2" off \
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OMPI "Enable MPI support using net/openmpi" off
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.include <bsd.port.pre.mk>
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.if ${ARCH} == i386
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CONFIGURE_ARGS+= --disable-ia32-sse
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.endif
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.if ${OSVERSION} < 700000
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CONFIGURE_ARGS+= --disable-ia32-sse --disable-x86-64-sse
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.endif
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.if !defined(WITHOUT_FFTW3) && defined(WITH_FFTW2)
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IGNORE= cannot build with FFTW3 and FFTW2. Run 'make config' again and choose only one of them
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.endif
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.if defined(WITH_MPICH) && defined(WITH_OMPI)
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IGNORE= cannot build with MPICH and OpenMPI support. Run 'make config' again and choose only one of them
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.endif
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.if !defined(WITHOUT_FFTW3)
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CONFIGURE_ARGS+= --with-fft=fftw3
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. if defined(WITH_FLOAT)
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LIB_DEPENDS+= fftw3f.5:${PORTSDIR}/math/fftw3-float
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. else
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LIB_DEPENDS+= fftw3.5:${PORTSDIR}/math/fftw3
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. endif
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.else
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. if defined(WITH_FFTW2)
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CONFIGURE_ARGS+= --with-fft=fftw2
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. if defined(WITH_FLOAT)
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LIB_DEPENDS+= sfftw.2:${PORTSDIR}/math/fftw-float
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. else
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LIB_DEPENDS+= fftw.2:${PORTSDIR}/math/fftw
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. endif
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. else
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CONFIGURE_ARGS+= --with-fft=fftpack
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. endif
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.endif
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.if !defined(WITHOUT_GSL)
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CONFIGURE_ARGS+= --with-gsl
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LIB_DEPENDS+= gsl.16:${PORTSDIR}/math/gsl
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.else
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CONFIGURE_ARGS+= --without-gsl
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.endif
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.if !defined(WITHOUT_X11)
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PLIST_SUB+= X11=""
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CONFIGURE_ARGS+= --with-x
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USE_XORG= x11
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.else
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PLIST_SUB+= X11="@comment "
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CONFIGURE_ARGS+= --without-x
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.endif
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.if defined(WITH_FLOAT)
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PLIST_SUB+= SUFFIX_D="" SUFFIX_DOUBLE=""
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.else
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CONFIGURE_ARGS+= --disable-float
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PLIST_SUB+= SUFFIX_D=_d SUFFIX_DOUBLE=_double
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.endif
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.if defined(WITH_MPICH) || defined(WITH_OMPI)
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CONFIGURE_ARGS+= --enable-mpi
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.if defined(WITH_MPICH)
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CONFIGURE_ENV+= MPICC=${PREFIX}/bin/mpicc
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BUILD_DEPENDS+= ${LOCALBASE}/bin/mpicc:${PORTSDIR}/net/mpich2
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RUN_DEPENDS+= ${LOCALBASE}/bin/mpicc:${PORTSDIR}/net/mpich2
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.elif defined(WITH_OMPI)
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CONFIGURE_ENV+= MPICC=${PREFIX}/mpi/openmpi/bin/mpicc
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BUILD_DEPENDS+= ${LOCALBASE}/mpi/openmpi/bin/mpicc:${PORTSDIR}/net/openmpi
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RUN_DEPENDS+= ${LOCALBASE}/mpi/openmpi/bin/mpicc:${PORTSDIR}/net/openmpi
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.endif
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PLIST_SUB+= SUFFIX_MPI="_mpi" MPI=""
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.else
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PLIST_SUB+= SUFFIX_MPI="" MPI="@comment "
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.endif
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MAN1= do_dssp.1 \
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editconf.1 \
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eneconv.1 \
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g_anadock.1 \
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g_anaeig.1 \
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g_analyze.1 \
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g_angle.1 \
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g_bar.1 \
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g_bond.1 \
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g_bundle.1 \
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g_chi.1 \
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g_cluster.1 \
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g_clustsize.1 \
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g_confrms.1 \
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g_covar.1 \
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g_current.1 \
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g_density.1 \
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g_densmap.1 \
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g_dielectric.1 \
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g_dih.1 \
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g_dipoles.1 \
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g_disre.1 \
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g_dist.1 \
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g_dyndom.1 \
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g_enemat.1 \
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g_energy.1 \
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g_filter.1 \
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g_gyrate.1 \
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g_h2order.1 \
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g_hbond.1 \
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g_helix.1 \
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g_helixorient.1 \
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g_lie.1 \
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g_mdmat.1 \
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g_membed.1 \
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g_mindist.1 \
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g_morph.1 \
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g_msd.1 \
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g_nmeig.1 \
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g_nmens.1 \
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g_nmtraj.1 \
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g_order.1 \
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g_polystat.1 \
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g_potential.1 \
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g_principal.1 \
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g_protonate.1 \
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g_rama.1 \
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g_rdf.1 \
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g_rms.1 \
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g_rmsdist.1 \
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g_rmsf.1 \
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g_rotacf.1 \
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g_rotmat.1 \
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g_saltbr.1 \
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g_sas.1 \
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g_select.1 \
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g_sgangle.1 \
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g_sham.1 \
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g_sigeps.1 \
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g_sorient.1 \
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g_spatial.1 \
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g_spol.1 \
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g_tcaf.1 \
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g_traj.1 \
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g_tune_pme.1 \
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g_vanhove.1 \
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g_velacc.1 \
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g_wham.1 \
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g_wheel.1 \
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g_x2top.1 \
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g_xrama.1 \
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genbox.1 \
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genconf.1 \
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genion.1 \
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genrestr.1 \
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gmxcheck.1 \
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gmxdump.1 \
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grompp.1 \
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make_edi.1 \
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make_ndx.1 \
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mdrun.1 \
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mk_angndx.1 \
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ngmx.1 \
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pdb2gmx.1 \
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tpbconv.1 \
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trjcat.1 \
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trjconv.1 \
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trjorder.1 \
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xpm2ps.1
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MAN7= gromacs.7
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.include <bsd.port.post.mk>
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