| # Copyright 1999-2015 Gentoo Foundation |
| # Distributed under the terms of the GNU General Public License v2 |
| # $Id$ |
| |
| EAPI=5 |
| |
| PYTHON_COMPAT=( python2_7 ) |
| |
| inherit autotools eutils fortran-2 flag-o-matic gnuconfig python-single-r1 toolchain-funcs |
| |
| MY_P="${PN/-apps}-${PV}" |
| |
| #UPDATE="04_03_09" |
| #PATCHDATE="090511" |
| |
| PATCH_TOT="0" |
| |
| DESCRIPTION="Protein X-ray crystallography toolkit" |
| HOMEPAGE="http://www.ccp4.ac.uk/" |
| SRC="ftp://ftp.ccp4.ac.uk/ccp4" |
| SRC_URI=" |
| ${SRC}/${PV}/${MY_P}-core-src.tar.gz |
| https://dev.gentoo.org/~jlec/distfiles/${PV}-oasis4.0.patch.bz2" |
| # patch tarball from upstream |
| [[ -n ${UPDATE} ]] && SRC_URI="${SRC_URI} ${SRC}/${PV}/updates/${P}-src-patch-${UPDATE}.tar.gz" |
| # patches created by us |
| [[ -n ${PATCHDATE} ]] && SRC_URI="${SRC_URI} https://dev.gentoo.org/~jlec/science-dist/${PV}-${PATCHDATE}-updates.patch.bz2" |
| |
| for i in $(seq $PATCH_TOT); do |
| NAME="PATCH${i}[1]" |
| SRC_URI="${SRC_URI} |
| ${SRC}/${PV}/patches/${!NAME}" |
| done |
| |
| LICENSE="ccp4" |
| SLOT="0" |
| KEYWORDS="amd64 ~ppc x86 ~amd64-linux ~x86-linux" |
| IUSE="examples X" |
| |
| X11DEPS=" |
| x11-libs/libX11 |
| x11-libs/libXaw |
| x11-libs/libXt |
| x11-libs/libxdl_view" |
| |
| TKDEPS=" |
| >=dev-lang/tk-8.3:0= |
| >=dev-tcltk/blt-2.4 |
| dev-tcltk/iwidgets |
| dev-tcltk/itcl |
| dev-tcltk/itk |
| >=dev-tcltk/tdom-0.8 |
| dev-tcltk/tktreectrl" |
| |
| SCILIBS=" |
| ~sci-libs/ccp4-libs-${PV} |
| >=sci-libs/ccp4-libs-${PV}-r7 |
| sci-libs/clipper |
| sci-libs/fftw:2.1 |
| sci-libs/mmdb:0 |
| sci-libs/ssm |
| virtual/blas |
| virtual/lapack" |
| |
| SCIAPPS=" |
| sci-chemistry/pdb-extract |
| sci-chemistry/pymol |
| sci-chemistry/rasmol |
| >=sci-chemistry/oasis-4.0-r1" |
| |
| RDEPEND=" |
| ${TKDEPS} |
| ${SCILIBS} |
| app-shells/tcsh |
| dev-python/pyxml |
| dev-libs/libxml2:2 |
| dev-libs/libjwc_c |
| dev-libs/libjwc_f |
| dev-libs/boehm-gc |
| !app-office/sc |
| !<sci-chemistry/ccp4-6.1.3 |
| X? ( ${X11DEPS} )" |
| DEPEND="${RDEPEND} |
| X? ( |
| x11-misc/imake |
| x11-proto/inputproto |
| x11-proto/xextproto |
| )" |
| PDEPEND="${SCIAPPS}" |
| |
| RESTRICT="mirror" |
| |
| S="${WORKDIR}/${MY_P}" |
| |
| pkg_setup() { |
| fortran-2_pkg_setup |
| python-single-r1_pkg_setup |
| } |
| |
| src_prepare() { |
| tc-export PKG_CONFIG |
| 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 |
| |
| [[ -n ${PATCHDATE} ]] && epatch "${WORKDIR}"/${PV}-${PATCHDATE}-updates.patch |
| |
| einfo "Applying Gentoo patches ..." |
| |
| # 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 |
| # Also remember to create the bindir. |
| ccp_patch "${FILESDIR}"/${PV}-dont-build-double-and-make-bindir.patch |
| |
| # libraries come from sci-libs/ccp4-libs |
| ccp_patch "${FILESDIR}"/${PV}-dont-build-libs.patch |
| |
| # We have seperate ebuilds for those |
| for bin in molref xia scala imosflm balbes; do |
| ccp_patch "${FILESDIR}"/${PV}-dont-build-${bin}.patch |
| done |
| |
| # don't configure what is not build |
| ccp_patch "${FILESDIR}"/${PV}-dont-configure.patch |
| |
| # Set python paths correctly |
| ccp_patch "${FILESDIR}"/${PV}-pythonpath.patch |
| |
| # Set python paths correctly |
| ccp_patch "${FILESDIR}"/${PV}-pisa.patch |
| |
| # Set python paths correctly |
| ccp_patch "${FILESDIR}"/${PV}-clipper-template.patch |
| |
| # Fix upstreams code |
| ccp_patch "${FILESDIR}"/${PV}-impl-dec.patch |
| |
| # Not renaming, but unbundling libs |
| ccp_patch "${FILESDIR}"/${PV}-rename-rapper-ng.patch |
| |
| # Use pkg-config to detect BLAS/LAPCK |
| ccp_patch "${FILESDIR}"/${PV}-lapack.patch |
| |
| # unbundle libs |
| ccp_patch "${FILESDIR}"/${PV}-unbundle.patch |
| |
| # tcl-8.6 |
| ccp_patch "${FILESDIR}"/${P}-tcl8.6.patch |
| |
| # Update things for oasis 4 usage |
| epatch "${WORKDIR}"/${PV}-oasis4.0.patch |
| sed 's: oasis : :g' -i src/Makefile.in || die |
| |
| einfo "Done." # done applying Gentoo patches |
| echo |
| |
| find ./lib/src/mmdb ./lib/ssm ./lib/clipper ./lib/fftw lib/lapack -delete |
| |
| sed \ |
| -e "s:/usr:${EPREFIX}/usr:g" \ |
| -e 's:-Wl,-rpath,$CLIB::g' \ |
| -e 's: -rpath $CLIB::g' \ |
| -e 's: -I${srcdir}/include/cpp_c_headers::g' \ |
| -e 's:sleep 1:sleep .2:g' \ |
| -e 's:\\$(XCIF_LIB):-L$srcdir/lib/ccif -lccif:g' \ |
| -e 's:\\$(XLAPACK_LIB):${XLAPACK_LIB}:g' \ |
| -e 's:\\$(CXX_LIBS):\${CXX_LIBS}:g' \ |
| -e 's:\\$(XLDFLAGS):\${XLDFLAGS}:g' \ |
| -i configure || die |
| |
| sed \ |
| -e '/o crunch2/s:$: ${XLAPACK_LIB}:g' \ |
| -i src/Makefile* || die |
| |
| find "${S}" -name "Makefile.*" \ |
| -exec sed -e 's|_FLAGS-|_FLAGS:-|g' -e "s:\(eval \$([[:alnum:]]*)\):\1 \$(GENTOOLDFLAGS):g" -i '{}' \; |
| |
| # Don't build refmac, sfcheck, balbes, molrep binaries; available from the standalone version |
| sed -i -e "/^REFMACTARGETS/s:^.*:REFMACTARGETS="":g" configure || die |
| |
| # Rapper bundles libxml2 and boehm-gc. Don't build, use or install those. |
| pushd src/rapper 2>/dev/null |
| eautoreconf |
| popd 2>/dev/null |
| |
| gnuconfig_update |
| |
| python_fix_shebang -f . |
| } |
| |
| src_configure() { |
| # Build system is broken if we set LDFLAGS |
| export GENTOOLDFLAGS="${LDFLAGS}" |
| unset LDFLAGS |
| |
| # These are broken with ./src/procheck/ps.f |
| filter-flags "-floop-*" |
| |
| # GENTOO_OSNAME can be one of: |
| # irix irix64 sunos sunos64 aix hpux osf1 linux freebsd |
| # linux_compaq_compilers linux_intel_compilers generic Darwin |
| # ia64_linux_intel Darwin_ibm_compilers linux_ibm_compilers |
| if [[ "$(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 || die |
| |
| # Fix up variables -- need to reset CCP4_MASTER at install-time |
| sed -i \ |
| -e "s~^\(setenv CCP4_MASTER.*\)/.*~\1${WORKDIR}~g" \ |
| -e "s~^\(export CCP4_MASTER.*\)/.*~\1${WORKDIR}~g" \ |
| -e "s~^\(.*export CBIN=.*\)\$CCP4.*~\1\$CCP4/libexec/ccp4/bin/~g" \ |
| -e "s~^\(.*setenv CBIN .*\)\$CCP4.*~\1\$CCP4/libexec/ccp4/bin/~g" \ |
| -e "s~^\(setenv CCP4I_TCLTK.*\)/usr/local/bin~\1${EPREFIX}/usr/bin~g" \ |
| "${S}"/include/ccp4.setup* || die |
| |
| # Set up variables for build |
| source "${S}"/include/ccp4.setup-sh |
| |
| export CC=$(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=${FFLAGS:- -O2} |
| export BINSORT_SCR="${T}" |
| export CCP4_MASTER="${WORKDIR}" |
| export CCP4I_TCLTK="${EPREFIX}/usr/bin" |
| export MAKE="make ${MAKEOPTS} ${EXTRA_EMAKE}" |
| |
| # Can't use econf, configure rejects unknown options like --prefix |
| ./configure \ |
| $(use_enable X x) \ |
| --with-shared-libs \ |
| --with-fftw="${EPREFIX}/usr" \ |
| --with-warnings \ |
| --disable-pdb_extract \ |
| --disable-cctbx \ |
| --disable-phaser \ |
| --disable-diffractionImg \ |
| --disable-clipper \ |
| --disable-ssm \ |
| --disable-mosflm \ |
| --disable-mrbump \ |
| --tmpdir="${TMPDIR}" \ |
| ${GENTOO_OSNAME} || die "configure failed" |
| |
| # We do this manually, since disabling the clipper libraries also |
| # disables the clipper programs |
| pushd src/clipper_progs 2>/dev/null |
| econf \ |
| --prefix="${S}" \ |
| --bindir="${ED}"/usr/libexec/ccp4/bin \ |
| --with-ccp4="${S}" \ |
| --with-clipper="${EPREFIX}/usr" \ |
| --with-fftw="${EPREFIX}/usr" \ |
| --with-mmdb="${EPREFIX}/usr" \ |
| CXX=$(tc-getCXX) |
| popd 2>/dev/null |
| } |
| |
| src_compile() { |
| # fsplit is required for the programs |
| pushd lib/src 2>/dev/null |
| emake fsplit -j1 || die |
| popd 2>/dev/null |
| |
| # We do this manually, since disabling the clipper libraries also |
| # disables the clipper programs |
| pushd src/clipper_progs 2>/dev/null |
| emake || die |
| popd 2>/dev/null |
| |
| emake -j1 || die "emake failed" |
| } |
| |
| src_install() { |
| # Set up variables for build |
| source "${S}"/include/ccp4.setup-sh |
| |
| # if we don't make this, a ton of programs fail to install |
| mkdir "${S}"/bin || die |
| |
| # We do this manually, since disabling the clipper libraries also |
| # disables the clipper programs |
| pushd "${S}"/src/clipper_progs 2>/dev/null |
| emake install || die |
| popd 2>/dev/null |
| |
| einstall || die "install failed" |
| |
| # Collision with sci-chemistry/mrbump |
| rm -f "${S}"/bin/{mrbump,pydbviewer} || die |
| |
| # Bins |
| exeinto /usr/libexec/ccp4/bin/ |
| doexe "${S}"/bin/* || die |
| |
| # Libs |
| for file in "${S}"/lib/*; do |
| if [[ -d ${file} ]]; then |
| continue |
| elif [[ -x ${file} ]]; then |
| dolib.so ${file} || die |
| else |
| insinto /usr/$(get_libdir) |
| doins ${file} || die |
| fi |
| done |
| |
| rm -f "${S}"/include/ccp4.setup* |
| |
| # smartie -- log parsing |
| insinto /usr/share/ccp4 |
| doins -r "${S}"/share/smartie || die |
| |
| # Install docs and examples |
| local _man |
| pushd "${S}"/man/cat1 > /dev/null |
| for _man in *; do |
| newman ${_man} ${_man%??}-ccp4${_man:${#_man}-2:2} |
| done |
| popd > /dev/null |
| |
| mv "${S}"/manual/README "${S}"/manual/README-manual |
| dodoc manual/* README CHANGES doc/* examples/README || die |
| |
| rm "${ED}"/usr/share/doc/${PF}/GNUmakefile.* |
| rm "${ED}"/usr/share/doc/${PF}/COPYING.* |
| |
| dohtml -r "${S}"/html/* |
| |
| if use examples; then |
| 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 |
| fi |
| # Needed for ccp4i docs to work |
| dosym ../../share/doc/${PF}/examples /usr/$(get_libdir)/ccp4/examples || die |
| dosym ../../share/doc/${PF}/html /usr/$(get_libdir)/ccp4/html || die |
| |
| cat >> "${T}"/baubles <<- EOF |
| #!${EPREFIX}/bin/bash |
| exec "${EPYTHON}" "\${CCP4}/share/ccp4/smartie/baubles.py" |
| EOF |
| |
| exeinto /usr/libexec/ccp4/bin/ |
| doexe "${T}"/baubles || die |
| } |
| |
| # Epatch wrapper for bulk patching |
| ccp_patch() { |
| EPATCH_SINGLE_MSG=" ${1##*/} ..." epatch ${1} |
| } |