# Copyright 1999-2010 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ccp4/ccp4-6.0.1-r1.ebuild,v 1.11 2010/12/16 13:09:16 jlec Exp $ inherit eutils gnuconfig toolchain-funcs SRC="ftp://ftp.ccp4.ac.uk/ccp4" PATCH_TOT="12" PATCH1=( src/mmdb_app_ chainsaw.cpp-11May2006.diff ) PATCH2=( src anisoanl.f-r1.22-r1.24.diff ) PATCH3=( src/sc_ sc.f-r1.9-r1.9.2.1.diff ) PATCH4=( src/sc_ setup.fh-r1.5-r1.5.2.1.diff ) PATCH5=( src contact.f-12June2006.diff ) PATCH6=( ccp4i/tasks refmac5.tcl-r1.39.2.3-r1.42.diff ) PATCH7=( src act.f-6July2006.diff ) PATCH8=( src rotmat.f-17July2006.diff ) PATCH9=( src/molrep_ molrep.f-r1.28-r1.28.2.1.diff ) PATCH10=( src cad.f-r1.70-r1.72.diff ) PATCH11=( src mtztona4.f-r1.23-r1.24.diff ) PATCH12=( src omit.f-r1.12-r1.13.diff ) DESCRIPTION="Protein X-ray crystallography toolkit" HOMEPAGE="http://www.ccp4.ac.uk/" RESTRICT="mirror" SRC_URI="${SRC}/${PV}/packed/${P}-core-src.tar.gz" for i in $(seq $PATCH_TOT); do NAME="PATCH${i}[1]" SRC_URI="${SRC_URI} ${SRC}/${PV}/patches/${!NAME}" done LICENSE="ccp4" SLOT="0" KEYWORDS="ppc x86" IUSE="X" # app-office/sc overlaps sc binary and man page # We can't rename ours since the automated ccp4i interface expects it there, # as do many scripts. app-office/sc can't rename its because that's the name # of the package. RDEPEND=" >=dev-lang/tcl-8.3 >=dev-lang/tk-8.3 >=dev-tcltk/blt-2.4 virtual/lapack virtual/blas =sci-libs/fftw-2* sci-chemistry/pdb-extract sci-chemistry/rasmol sci-libs/mccp4 app-shells/tcsh !app-office/sc X? ( x11-libs/libX11 x11-libs/libXt x11-libs/libXaw )" DEPEND="${RDEPEND} X? ( x11-misc/imake x11-proto/inputproto x11-proto/xextproto )" S="${WORKDIR}/${PN}-${PV}" src_unpack() { unpack ${A} cd "${S}" einfo "Applying upstream patches ..." for patch in $(seq $PATCH_TOT); do base="PATCH${patch}" dir=$(eval echo \${${base}[0]}) p=$(eval echo \${${base}[1]}) pushd ${dir} >& /dev/null ccp_patch "${DISTDIR}/${p}" popd >& /dev/null done einfo "Done." echo einfo "Applying Gentoo patches ..." # These two only needed when attempting to install outside build dir via # --bindir and --libdir instead of straight copying after build # it attempts to install some libraries during the build #ccp_patch "${FILESDIR}"/${P}-install-libs-at-install-time.patch # hklview/ipdisp.exe/xdlmapman/ipmosflm can't find libxdl_view # without this patch when --libdir is set # Rotgen still needs more patching to find it #ccp_patch "${FILESDIR}"/add-xdl-libdir.patch # it tries to create libdir, bindir etc on live system in configure ccp_patch "${FILESDIR}"/${PV}-dont-make-dirs-in-configure.patch # We already have sci-chemistry/rasmol ccp_patch "${FILESDIR}"/dont-build-rasmol.patch # We already have sci-chemistry/pdb-extract # Use configure option instead # ccp_patch "${FILESDIR}"/dont-build-pdb-extract.patch ccp_patch "${FILESDIR}"/create-mosflm-bindir.patch ccp_patch "${FILESDIR}"/make-mosflm-libdir.patch ccp_patch "${FILESDIR}"/make-mosflm-index-libdir.patch ccp_patch "${FILESDIR}"/make-mosflm-cbf-libdir.patch ccp_patch "${FILESDIR}"/make-ipmosflm-dir.patch # Don't use these when we aren't building phaser # ccp_patch "${FILESDIR}"/make-phaser-bindir.patch # ccp_patch "${FILESDIR}"/no-phaser-ld-assume-kernel.patch # # scons config.py tries to chmod python on live system # ccp_patch "${FILESDIR}"/dont-chmod-python-binary.patch # Don't use this when we aren't building clipper # For some reason clipper check for $enableval even when --enable is passed ccp_patch "${FILESDIR}"/pass-clipper-enablevals.patch ccp_patch "${FILESDIR}"/clipper-find-mccp4-includes.patch # Default to firefox browser, not 'netscape' ccp_patch "${FILESDIR}"/ccp4i-default-to-firefox.patch # Also use -lpthread when linking blas and lapack # We may need more fixing to use libcblas for the C files ccp_patch "${FILESDIR}"/check-blas-lapack-pthread.patch # gerror_ gets defined twice on ppc if you're using gfortran/g95 ccp_patch "${FILESDIR}"/${PV}-ppc-double-define-gerror.patch einfo "Done." # done applying Gentoo patches echo gnuconfig_update } src_compile() { # Build system is broken if we set LDFLAGS unset LDFLAGS # GENTOO_OSNAME can be one of: # irix irix64 sunos sunos64 aix hpux osf1 linux freebsd # linux_compaq_compilers linux_intel_compilers generic Darwin # ia64_linux_intel Darwin_ibm_compilers linux_ibm_compilers if [[ "$(tc-getFC)" = "ifort" ]]; then if use ia64; then GENTOO_OSNAME="ia64_linux_intel" else # Should be valid for x86, maybe amd64 GENTOO_OSNAME="linux_intel_compilers" fi else # Should be valid for x86 and amd64, at least GENTOO_OSNAME="linux" fi # Sets up env ln -s \ ccp4.setup-bash \ "${S}"/include/ccp4.setup # We agree to the license by emerging this, set in LICENSE sed -i \ -e "s~^\(^agreed=\).*~\1yes~g" \ "${S}"/configure # Fix up variables -- need to reset CCP4_MASTER at install-time sed -i \ -e "s~^\(setenv CCP4_MASTER.*\)/.*~\1${WORKDIR}~g" \ -e "s~^\(setenv CCP4I_TCLTK.*\)/usr/local/bin~\1/usr/bin~g" \ "${S}"/include/ccp4.setup* # Set up variables for build source "${S}"/include/ccp4.setup export CC=$(tc-getCC) export CXX=$(tc-getCXX) export COPTIM=${CFLAGS} export CXXOPTIM=${CXXFLAGS} # Default to -O2 if FFLAGS is unset export FC=$(tc-getFC) export FOPTIM=${FFLAGS:- -O2} # Can't use econf, configure rejects unknown options like --prefix ./configure \ $(use_enable X x) \ --with-shared-libs \ --with-fftw=/usr \ --with-warnings \ --disable-pdb_extract \ --disable-cctbx \ --disable-phaser \ --tmpdir="${TMPDIR}" \ ${GENTOO_OSNAME} || die "econf failed" emake -j1 || die "emake failed" } src_install() { # Set up variables for build source "${S}"/include/ccp4.setup # Only needed when using --bindir and --libdir # Needed to avoid errors. Originally tried to make lib and bin # in configure script, now patched out by dont-make-dirs-in-configure.patch # dodir /usr/include /usr/$(get_libdir) /usr/bin # make install || die "install failed" einstall || die "install failed" # Fix env sed -i \ -e "s~^\(setenv CCP4_MASTER.*\)${WORKDIR}~\1/usr~g" \ -e "s~^\(setenv CCP4.*\$CCP4_MASTER\).*~\1~g" \ -e "s~^\(setenv CCP4I_TOP\).*~\1 \$CCP4/$(get_libdir)/ccp4/ccp4i~g" \ -e "s~^\(.*setenv CINCL.*\$CCP4\).*~\1/share/ccp4/include~g" \ -e "s~^\(.*setenv CLIBD .*\$CCP4\).*~\1/share/ccp4/data~g" \ -e "s~^\(.*setenv CLIBD_MON .*\)\$CCP4.*~\1\$CLIBD/monomers/~g" \ -e "s~^\(.*setenv MOLREPLIB .*\)\$CCP4.*~\1\$CLIBD/monomers/~g" \ -e "s~^\(.*setenv CCP4_BROWSER.*\).*~\1 firefox~g" \ "${S}"/include/ccp4.setup* # Get rid of S instances # Also the main clipper library is built as libclipper-core, not libclipper sed -i \ -e "s:${S}:usr:g" \ -e "s:lclipper :lclipper-core :g" \ "${S}"/bin/clipper-config # sed -i \ # -e "s:${S}:usr:g" \ # "${S}"/$(get_libdir)/cctbx/cctbx_build/setpaths* # Bins dobin "${S}"/bin/* || die # Libs for file in "${S}"/lib/*; do if [[ -d ${file} ]]; then continue elif [[ -x ${file} ]]; then dolib.so ${file} || die else insinto /usr/$(get_libdir) doins ${file} || die fi done # Fix libdir in all *.la files sed -i \ -e "s:^\(libdir=\).*:\1\'/usr/$(get_libdir)\':g" \ "${D}"/usr/$(get_libdir)/*.la # Library symlinks local LIBNAMES="libclipper-ccp4.so.0.0.0 libclipper-cif.so.0.0.0 libclipper-contrib.so.0.0.0 libclipper-core.so.0.0.0 libclipper-minimol.so.0.0.0 libclipper-mmdbold.so.0.0.0 libclipper-mmdb.so.0.0.0 libclipper-mtz.so.1.0.0 libclipper-phs.so.0.0.0 libjwc_c.so.0.1.1 libjwc_f.so.0.1.1 libssm.so.0.0.0 libxdl_viewextra.so.0.0.0 libxdl_view.so.2.0.0" for LIBNAME in ${LIBNAMES}; do library_dosym ${LIBNAME} done # dosym libclipper-ccp4.so.0.0.0 /usr/$(get_libdir)/libclipper-ccp4.so # dosym libclipper-ccp4.so.0.0.0 /usr/$(get_libdir)/libclipper-ccp4.so.0 # dosym libclipper-ccp4.so.0.0.0 /usr/$(get_libdir)/libclipper-ccp4.so.0.0 # # dosym libclipper-cif.so.0.0.0 /usr/$(get_libdir)/libclipper-cif.so # dosym libclipper-cif.so.0.0.0 /usr/$(get_libdir)/libclipper-cif.so.0 # dosym libclipper-cif.so.0.0.0 /usr/$(get_libdir)/libclipper-cif.so.0.0 # # dosym libclipper-contrib.so.0.0.0 /usr/$(get_libdir)/libclipper-contrib.so # dosym libclipper-contrib.so.0.0.0 /usr/$(get_libdir)/libclipper-contrib.so.0 # dosym libclipper-contrib.so.0.0.0 /usr/$(get_libdir)/libclipper-contrib.so.0.0 # # dosym libclipper-core.so.0.0.0 /usr/$(get_libdir)/libclipper-core.so # dosym libclipper-core.so.0.0.0 /usr/$(get_libdir)/libclipper-core.so.0 # dosym libclipper-core.so.0.0.0 /usr/$(get_libdir)/libclipper-core.so.0.0 # # dosym libclipper-minimol.so.0.0.0 /usr/$(get_libdir)/libclipper-minimol.so # dosym libclipper-minimol.so.0.0.0 /usr/$(get_libdir)/libclipper-minimol.so.0 # dosym libclipper-minimol.so.0.0.0 /usr/$(get_libdir)/libclipper-minimol.so.0.0 # # dosym libclipper-mmdbold.so.0.0.0 /usr/$(get_libdir)/libclipper-mmdbold.so # dosym libclipper-mmdbold.so.0.0.0 /usr/$(get_libdir)/libclipper-mmdbold.so.0 # dosym libclipper-mmdbold.so.0.0.0 /usr/$(get_libdir)/libclipper-mmdbold.so.0.0 # # dosym libclipper-mmdb.so.0.0.0 /usr/$(get_libdir)/libclipper-mmdb.so # dosym libclipper-mmdb.so.0.0.0 /usr/$(get_libdir)/libclipper-mmdb.so.0 # dosym libclipper-mmdb.so.0.0.0 /usr/$(get_libdir)/libclipper-mmdb.so.0.0 # # dosym libclipper-mtz.so.1.0.0 /usr/$(get_libdir)/libclipper-mtz.so # dosym libclipper-mtz.so.1.0.0 /usr/$(get_libdir)/libclipper-mtz.so.1 # dosym libclipper-mtz.so.1.0.0 /usr/$(get_libdir)/libclipper-mtz.so.1.0 # # dosym libclipper-phs.so.0.0.0 /usr/$(get_libdir)/libclipper-phs.so # dosym libclipper-phs.so.0.0.0 /usr/$(get_libdir)/libclipper-phs.so.0 # dosym libclipper-phs.so.0.0.0 /usr/$(get_libdir)/libclipper-phs.so.0.0 # # dosym libjwc_c.so.0.1.1 /usr/$(get_libdir)/libjwc_c.so # dosym libjwc_c.so.0.1.1 /usr/$(get_libdir)/libjwc_c.so.0 # dosym libjwc_c.so.0.1.1 /usr/$(get_libdir)/libjwc_c.so.0.1 # # dosym libjwc_f.so.0.1.1 /usr/$(get_libdir)/libjwc_f.so # dosym libjwc_f.so.0.1.1 /usr/$(get_libdir)/libjwc_f.so.0 # dosym libjwc_f.so.0.1.1 /usr/$(get_libdir)/libjwc_f.so.0.1 # # dosym libssm.so.0.0.0 /usr/$(get_libdir)/libssm.so # dosym libssm.so.0.0.0 /usr/$(get_libdir)/libssm.so.0 # dosym libssm.so.0.0.0 /usr/$(get_libdir)/libssm.so.0.0 # # dosym libxdl_viewextra.so.0.0.0 /usr/$(get_libdir)/libxdl_viewextra.so # dosym libxdl_viewextra.so.0.0.0 /usr/$(get_libdir)/libxdl_viewextra.so.0 # dosym libxdl_viewextra.so.0.0.0 /usr/$(get_libdir)/libxdl_viewextra.so.0.0 # # dosym libxdl_view.so.2.0.0 /usr/$(get_libdir)/libxdl_view.so # dosym libxdl_view.so.2.0.0 /usr/$(get_libdir)/libxdl_view.so.2 # dosym libxdl_view.so.2.0.0 /usr/$(get_libdir)/libxdl_view.so.2.0 # Environment files, setup scripts, etc. insinto /usr/share/ccp4/include doins "${S}"/include/* || die # CCP4Interface - GUI insinto /usr/$(get_libdir)/ccp4 doins -r "${S}"/ccp4i || die exeinto /usr/$(get_libdir)/ccp4/ccp4i/bin doexe "${S}"/ccp4i/bin/* || die # Data insinto /usr/share/ccp4 doins -r "${S}"/lib/data || die # Include files insinto /usr/include for i in ccp4 clipper mmdb ssm; do doins -r "${S}"/include/${i} || die done # Install docs and examples doman "${S}"/man/cat1/* mv "${S}"/manual/README "${S}"/manual/README-manual dodoc "${S}"/manual/* dodoc "${S}"/README "${S}"/CHANGES dodoc "${S}"/doc/* rm "${D}"/usr/share/doc/${PF}/GNUmakefile.gz rm "${D}"/usr/share/doc/${PF}/COPYING.gz dohtml -r "${S}"/html/* dodoc "${S}"/examples/README # Fix wrongly installed HTML pages from clipper dohtml "${D}"/usr/html/* rm -rf "${D}"/usr/html for i in data rnase toxd; do docinto examples/${i} dodoc "${S}"/examples/${i}/* done docinto examples/tutorial dohtml -r "${S}"/examples/tutorial/html examples/tutorial/tut.css for i in data results; do docinto examples/tutorial/${i} dodoc "${S}"/examples/tutorial/${i}/* done for i in non-runnable runnable; do docinto examples/unix/${i} dodoc "${S}"/examples/unix/${i} done # Needed for ccp4i docs to work dosym ../../share/doc/${PF}/examples /usr/$(get_libdir)/ccp4/examples dosym ../../share/doc/${PF}/html /usr/$(get_libdir)/ccp4/html # Fix overlaps with other packages rm "${D}"/usr/share/man/man1/rasmol.1* } pkg_postinst() { einfo "The Web browser defaults to firefox. Change CCP4_BROWSER" einfo "in /usr/share/ccp4/include/ccp4.setup* to modify this." ewarn "Set your .bashrc or other shell login file to source" ewarn "one of the ccp4.setup* files in ${ROOT}usr/share/ccp4/include." ewarn "CCP4 will not work without this." } # Epatch wrapper for bulk patching ccp_patch() { EPATCH_SINGLE_MSG=" ${1##*/} ..." epatch ${1} } # Links libname.so, libname.so.major and libname.so.major.minor # to libname.so.major.minor.micro library_dosym() { local LIBNAME LIBDIR SUFFIX CORE_LIBNAME LIB_MAJOR LIB_MINOR LIB_VERSIONS LIBNAME=${1} LIBDIR=${2:-/usr/$(get_libdir)} # Tag / on the end of libdir if needed if [[ ${LIBDIR:$((${#LIBDIR}-1)):1} != "/" ]]; then LIBDIR="${LIBDIR}/" fi if [[ "${LIBNAME}" != *.so.* ]]; then msg="library_dosym() requires a shared, versioned library as an argument" eerror "$msg" die "$msg" fi SUFFIX=${LIBNAME##*so.} CORE_LIBNAME=${LIBNAME%.so.*} CORE_LIBNAME="${CORE_LIBNAME}.so" LIB_MAJOR=${SUFFIX%%.*} LIB_MINOR=${SUFFIX#*.} LIB_MINOR=${SUFFIX%%.*} LIB_VERSIONS="${LIB_MAJOR} ${LIB_MAJOR}.${LIB_MINOR}" for LIB_SUFFIX in .${LIB_MAJOR} .${LIB_MAJOR}.${LIB_MINOR} ""; do einfo "Calling dosym ${LIBNAME} ${LIBDIR} ${CORE_LIBNAME} ${LIB_SUFFIX}" dosym ${LIBNAME} ${LIBDIR}${CORE_LIBNAME}${LIB_SUFFIX} done }