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# Created by: Stephen Montgomery-Smith <stephen@math.missouri.edu>
# $FreeBSD$
PORTNAME= vmd
DISTVERSION= 1.9.3
PORTREVISION= 5
CATEGORIES= science graphics python tcl tk
MASTER_SITES= http://jedi.ks.uiuc.edu/~johns/raytracer/files/0.99b6/:tachyon \
http://www.photonlimited.com/~johns/tachyon/files/0.99b6/:tachyon \
http://webclu.bio.wzw.tum.de/stride/:stride \
ftp://ftp.ebi.ac.uk/pub/software/unix/stride/src/:stride
DISTFILES= ${VMD_DIST} \
${TACHYON_DIST}:tachyon \
${STRIDE_DIST}:stride
MAINTAINER= dbn@FreeBSD.org
COMMENT= Molecular visualization program
LICENSE= VMD BSD3CLAUSE STRIDE
LICENSE_COMB= multi
BUILD_DEPENDS= makedepend:devel/makedepend \
${PYNUMPY}
LIB_DEPENDS= libexpat.so:textproc/expat2 \
libfltk.so:x11-toolkits/fltk \
libnetcdf.so:science/netcdf
RUN_DEPENDS= ${PYNUMPY}
LICENSE_FILE_VMD= ${WRKSRC}/LICENSE
LICENSE_PERMS_VMD= auto-accept
LICENSE_NAME_VMD= Visual Molecular Dynamics Software License Agreement
LICENSE_DISTFILES_VMD= ${VMD_DIST}
LICENSE_FILE_BSD3CLAUSE= ${WRKSRC}/lib/tachyon/Copyright
LICENSE_DISTFILES_BSD3CLAUSE= ${TACHYON_DIST}
LICENSE_TEXT_STRIDE= ${FILESDIR}/stride.txt
LICENSE_PERMS_STRIDE= dist-mirror pkg-mirror auto-accept
LICENSE_NAME_STRIDE= Stride Copyright Notice
LICENSE_DISTFILES_STRIDE=${STRIDE_DIST}
USES= gmake perl5 python shebangfix sqlite tcl tk
SHEBANG_FILES= ${WRKDIR}/plugins/topotools/*.tcl
USE_PERL5= build
USE_GL= gl glu
USE_XORG= x11
ONLY_FOR_ARCHS= i386 amd64
CONFIGURE_ENV= PYTHON_INCLUDE_DIR=${PYTHON_INCLUDEDIR} \
PYTHON_LIBRARY_DIR=${PYTHON_LIBDIR} \
NUMPY_INCLUDE_DIR=${PYTHON_SITELIBDIR}/numpy/core/include \
NUMPY_LIBRARY_DIR=${PYTHON_SITELIBDIR} \
TCL_INCLUDE_DIR=${TCL_INCLUDEDIR} \
TCL_LIBRARY_DIR=${LOCALBASE}/lib \
TK_INCLUDE_DIR=${TK_INCLUDEDIR} \
TK_LIBRARY_DIR=${LOCALBASE}/lib
CONFIGURE_ARGS= ${VMD_ARCH} OPENGL FLTK TK IMD TCL PTHREADS LIBTACHYON NETCDF NUMPY PYTHON
INSTALL_WRKSRC= ${WRKSRC}/src
MAKE_ENV= EXPATINC=-I${LOCALBASE}/include \
EXPATLIB=-L${LOCALBASE}/lib \
EXPATLDFLAGS=-lexpat \
EXPATDYNAMIC=1 \
NETCDFINC=-I${LOCALBASE}/include \
NETCDFLIB=-L${LOCALBASE}/lib \
NETCDFLDFLAGS=-lnetcdf \
SQLITEINC=-I${LOCALBASE}/include \
SQLITELIB=-L${LOCALBASE}/lib \
SQLITELDFLAGS=-lsqlite3 \
SQLITEDYNAMIC=1 \
TCLLIB=-L${LOCALBASE}/lib \
TCLINC=-I${TCL_INCLUDEDIR} \
TCLLDFLAGS=-ltcl${TCL_VER:S/.//} \
TKLDFLAGS="-ltk${TK_VER:S/.//} -lX11"
VMD_DIST= ${PORTNAME}-${DISTVERSION}.src.tar.gz
TACHYON_DIST= tachyon-0.99b6.tar.gz
STRIDE_DIST= stride.tar.gz
STRIDE_DOC= stride.doc
.include <bsd.port.pre.mk>
.if ${ARCH} == "amd64"
VMD_ARCH= FREEBSDAMD64
.else
VMD_ARCH= FREEBSD
.endif
PLIST_SUB+= VMD_ARCH=${VMD_ARCH}
# Check for VMD sources
.if !exists(${DISTDIR}/${VMD_DIST})
IGNORE= license restrictions require manual fetching of the distribution\
source. Please visit http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=VMD\
with a browser. You will be required to register, log in, and accept\
the University of Illinois agreement before you can download the\
${VMD_DIST} source file. Place this file in ${DISTDIR} and try again.
.endif
do-extract:
${MKDIR} ${WRKDIR} ${WRKSRC}/lib/stride
${TAR} -xzf ${DISTDIR}/${VMD_DIST} -C ${WRKDIR}
${TAR} -xzf ${WRKSRC}/lib/surf/surf.tar.Z -C ${WRKSRC}/lib/surf
${TAR} -xzf ${DISTDIR}/${TACHYON_DIST} -C ${WRKSRC}/lib
${TAR} -xzf ${DISTDIR}/${STRIDE_DIST} -C ${WRKSRC}/lib/stride
post-patch:
${REINPLACE_CMD} \
-e "s|-lpython2.5|-l${PYTHON_VERSION}${PYTHON_ABIVER}|" \
-e "s|/usr/local|${LOCALBASE}|g" \
-e "s|-fno-for-scope||g" \
-e "s/\"gcc\"/\"${CC}\"/;s/\"g++\"/\"${CXX}\"/" \
${WRKSRC}/configure
${REINPLACE_CMD} -e "s/.SILENT:/#.SILENT:/" ${WRKDIR}/plugins/Makefile
${REINPLACE_CMD} "s/.SILENT:/#.SILENT:/" ${WRKDIR}/plugins/*/Makefile
${REINPLACE_CMD} "s%log2f(\([^ ,]*\))%logf(\1)/(float)M_LN2%g" \
${WRKSRC}/src/Orbital.C
${REINPLACE_CMD} -E "s/(SHLD[[:space:]]*=[[:space:]]*)gcc/\1${CC}/" \
${WRKDIR}/plugins/Make-arch
${REINPLACE_CMD} -E "s/(CC[[:space:]]*=[[:space:]]*)(gcc|cc)/\1${CC}/" \
${WRKSRC}/lib/stride/Makefile \
${WRKSRC}/lib/surf/Makefile \
${WRKSRC}/lib/tachyon/unix/Make-arch \
${WRKDIR}/plugins/cionize/Makefile.specialbuilds \
${WRKDIR}/plugins/cionize/Makefile.mine \
${WRKDIR}/plugins/cionize/Makefile.testing \
${WRKDIR}/plugins/Make-arch \
${WRKDIR}/plugins/molfile_plugin/f77/Makefile
${REINPLACE_CMD} -E "s/(CXX[[:space:]]*=[[:space:]]*)g\+\+/\1${CXX}/" \
${WRKDIR}/plugins/fmtool/Makefile.specialbuilds \
${WRKDIR}/plugins/hesstrans/src/foo/Makefile \
${WRKDIR}/plugins/hesstrans/src/foo/nm_gnu.mak \
${WRKDIR}/plugins/Make-arch
${REINPLACE_CMD} -e "s/return *;/return 0;/g" \
${WRKSRC}/lib/surf/*.c
do-build:
${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${_MAKE_JOBS} bsd -C ${WRKSRC}/lib/tachyon/unix
${MV} ${WRKSRC}/lib/tachyon/compile/bsd/tachyon ${WRKSRC}/lib/tachyon/tachyon_${VMD_ARCH}
${SETENV} ${MAKE_ENV} PLUGINDIR=${WRKSRC}/plugins ${MAKE_CMD} ${VMD_ARCH} distrib -C ${WRKDIR}/plugins
cd ${WRKSRC} && ${SETENV} ${CONFIGURE_ENV} ${CONFIGURE_CMD} ${CONFIGURE_ARGS}
${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${_MAKE_JOBS} all -C ${WRKSRC}/src
${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${_MAKE_JOBS} depend -C ${WRKSRC}/lib/surf
${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${_MAKE_JOBS} surf -C ${WRKSRC}/lib/surf
${MV} ${WRKSRC}/lib/surf/surf ${WRKSRC}/lib/surf/surf_${VMD_ARCH}
${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${_MAKE_JOBS} -C ${WRKSRC}/lib/stride
${MV} ${WRKSRC}/lib/stride/stride ${WRKSRC}/lib/stride/stride_${VMD_ARCH}
post-install:
${REINPLACE_CMD} -i '' -e 's|${STAGEDIR}||g' ${STAGEDIR}${PREFIX}/bin/vmd
${STRIP_CMD} ${STAGEDIR}${LOCALBASE}/lib/vmd/*${VMD_ARCH} \
${STAGEDIR}${LOCALBASE}/lib/vmd/plugins/${VMD_ARCH}/molfile/*.so
.for f in tcl/autopsf1.6/psfcheck.so tcl/hesstrans1.0/hesstrans.so \
tcl/mutator1.5/libalchemify.so tcl/pmepot1.0/libpmepot.so \
tcl/psfgen1.6/libpsfgen.so tcl/rnaview1.1/rnaview \
tcl/signalproc1.1/specden.so tcl/signalproc1.1/fftcmds.so \
tcl/signalproc1.1/sgsmooth.so tcl/volutil1.3/volutil \
tcl/clustalw1.1/clustalw tcl/libbiokit1.1/tcl_libbiokit.so \
tcl/libbiokit1.1/q tcl/libbiokit1.1/seqqr \
tcl/libbiokit1.1/structqr tcl/libbiokit1.1/qpair \
tcl/libbiokit1.1/rmsd tcl/libbiokit1.1/percid \
tcl/phylotree1.2/upgmaclu tcl/stamp1.2/stamp \
tcl/bossconvert1.0/Topology \
bin/catdcd5.1/catdcd bin/cionize1.0/cionize
${STRIP_CMD} ${STAGEDIR}${LOCALBASE}/lib/vmd/plugins/${VMD_ARCH}/${f}
.endfor
.include <bsd.port.post.mk>
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