# Copyright 1999-2013 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: /var/cvsroot/gentoo-x86/sci-chemistry/vmd/vmd-1.9.1-r1.ebuild,v 1.5 2013/03/01 08:23:03 jlec Exp $ EAPI=5 PYTHON_DEPEND="2" inherit eutils multilib prefix python toolchain-funcs DESCRIPTION="Visual Molecular Dynamics" HOMEPAGE="http://www.ks.uiuc.edu/Research/vmd/" SRC_URI=" http://dev.gentoo.org/~jlec/distifles/${P}-gentoo-patches-2.tar.xz ${P}.src.tar.gz" SLOT="0" LICENSE="vmd" KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" IUSE="cuda msms povray tachyon xinerama" RESTRICT="fetch" # currently, tk-8.5* with USE=truetype breaks some # tk apps such as Sequence Viewer or Timeline. CDEPEND=" =dev-lang/tk-8.5*[-truetype] dev-lang/perl dev-python/numpy sci-libs/netcdf virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-3.1 || ( sys-devel/gcc:4.4 sys-devel/gcc:4.5 ) ) xinerama? ( x11-libs/libXinerama )" DEPEND="${CDEPEND} dev-lang/swig" RDEPEND="${CDEPEND} sci-biology/stride sci-chemistry/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray ) tachyon? ( media-gfx/tachyon )" VMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=VMD" # Binary only plugin!! QA_PREBUILT="usr/lib*/vmd/plugins/LINUX/tcl/intersurf1.1/bin/intersurf.so" QA_FLAGS_IGNORED_amd64=" usr/lib64/vmd/plugins/LINUX/tcl/volutil1.3/volutil" QA_FLAGS_IGNORED_x86=" usr/lib/vmd/plugins/LINUX/tcl/volutil1.3/volutil" pkg_nofetch() { elog "Please download ${P}.src.tar.gz from" elog "${VMD_DOWNLOAD}" elog "after agreeing to the license and get" elog "http://dev.gentoo.org/~jlec/distfiles/${P}-gentoo-patches-2.tar.xz" elog "Place both in ${DISTDIR}" } pkg_setup() { python_set_active_version 2 python_pkg_setup } src_prepare() { cd "${WORKDIR}"/plugins epatch "${WORKDIR}"/${P}-gentoo-plugins.patch [[ ${SILENT} == yes ]] || sed '/^.SILENT/d' -i $(find -name Makefile) sed \ -e "s:CC = gcc:CC = $(tc-getCC):" \ -e "s:CXX = g++:CXX = $(tc-getCXX):" \ -e "s:COPTO =.*\":COPTO = -fPIC -o\":" \ -e "s:LOPTO = .*\":LOPTO = ${LDFLAGS} -fPIC -o\":" \ -e "s:CCFLAGS =.*\":CCFLAGS = ${CFLAGS}\":" \ -e "s:CXXFLAGS =.*\":CXXFLAGS = ${CXXFLAGS}\":" \ -e "s:SHLD = gcc:SHLD = $(tc-getCC) -shared:" \ -e "s:SHXXLD = g++:SHXXLD = $(tc-getCXX) -shared:" \ -e "s:-ltcl8.5:-ltcl:" \ -i Make-arch || die "Failed to set up plugins Makefile" sed \ -e '/^AR /s:=:?=:g' \ -e '/^RANLIB /s:=:?=:g' \ -i ../plugins/*/Makefile || die tc-export AR RANLIB sed \ -e "s:\$(CXXFLAGS)::g" \ -i hesstrans/Makefile || die # prepare vmd itself cd "${S}" epatch "${WORKDIR}"/${P}-gentoo-base.patch # PREFIX sed \ -e "s:/usr/include/:${EPREFIX}/usr/include:g" \ -i configure || die sed \ -e "s:gentoo-bindir:${ED}/usr/bin:g" \ -e "s:gentoo-libdir:${ED}/usr/$(get_libdir):g" \ -e "s:gentoo-opengl-include:${EPREFIX}/usr/include/GL:g" \ -e "s:gentoo-opengl-libs:${EPREFIX}/usr/$(get_libdir):g" \ -e "s:gentoo-gcc:$(tc-getCC):g" \ -e "s:gentoo-g++:$(tc-getCXX):g" \ -e "s:gentoo-nvcc:${EPREFIX}/opt/cuda/bin/nvcc:g" \ -e "s:gentoo-cflags:${CFLAGS}:g" \ -e "s:gentoo-cxxflags:${CXXFLAGS}:g" \ -e "s:gentoo-nvflags: -O3 -v:g" \ -e "s:gentoo-ldflags:${LDFLAGS}:g" \ -e "s:gentoo-plugindir:${WORKDIR}/plugins:g" \ -e "s:gentoo-fltk-include:$(fltk-config --includedir):g" \ -e "s:gentoo-fltk-libs:$(dirname $(fltk-config --libs)) -Wl,-rpath,$(dirname $(fltk-config --libs)):g" \ -e "s:gentoo-netcdf-include:${EPREFIX}/usr/include:g" \ -e "s:gentoo-netcdf-libs:${EPREFIX}/usr/$(get_libdir):g" \ -i configure || die # local NUMPY_INCLUDE="numpy/core/include" # sed -e "s:gentoo-python-include:${EPREFIX}$(python_get_includedir):" \ # -e "s:gentoo-python-lib:${EPREFIX}$(python_get_libdir):" \ # -e "s:gentoo-python-link:$(PYTHON):" \ # -e "s:gentoo-numpy-include:${EPREFIX}$(python_get_sitedir)/${NUMPY_INCLUDE}:" \ # -i configure || die "failed setting up python" if use cuda; then local gcc_bindir if has_version sys-devel/gcc:4.5; then gcc_bindir="$(ls -d ${EPREFIX}/usr/*pc-linux-gnu/gcc-bin/4.5*)" elif has_version sys-devel/gcc:4.4; then gcc_bindir="$(ls -d ${EPREFIX}/usr/*pc-linux-gnu/gcc-bin/4.4*)" else ewarn "Please install gcc with a version between 4.4* and 4.5*" fi sed \ -e "s:gentoo-cuda-lib:${EPREFIX}/opt/cuda/$(get_libdir):g" \ -e "/^\$arch_nvccflags/s:=:= \"--compiler-bindir=${gcc_bindir} \" . \n:1" \ -i configure || die fi sed \ -e "s:LINUXPPC:LINUX:g" \ -e "s:LINUXALPHA:LINUX:g" \ -e "s:LINUXAMD64:LINUX:g" \ -e "s:gentoo-stride:${EPREFIX}/usr/bin/stride:g" \ -e "s:gentoo-surf:${EPREFIX}/usr/bin/surf:g" \ -e "s:gentoo-tachyon:${EPREFIX}/usr/bin/tachyon:g" \ -i "${S}"/bin/vmd.sh || die "failed setting up vmd wrapper script" } src_configure() { local myconf="OPENGL FLTK TK TCL PTHREADS PYTHON IMD NETCDF NUMPY NOSILENT XINPUT" rm -f configure.options && echo $myconf >> configure.options use cuda && myconf+=" CUDA" # use mpi && myconf+=" MPI" # use tachion && myconf+=" LIBTACHYON" use xinerama && myconf+=" XINERAMA" export \ PYTHON_INCLUDE_DIR="${EPREFIX}$(python_get_includedir)" \ PYTHON_LIBRARY_DIR="${EPREFIX}$(python_get_libdir)" \ PYTHON_LIBRARY="$(python_get_library -l)" \ NUMPY_INCLUDE_DIR="${EPREFIX}$(python_get_sitedir)/numpy/core/include" \ NUMPY_LIBRARY_DIR="${EPREFIX}$(python_get_sitedir)/numpy/core/include" ./configure LINUX \ ${myconf} || die } src_compile() { # build plugins cd "${WORKDIR}"/plugins emake \ TCLINC="-I${EPREFIX}/usr/include" \ TCLLIB="-L${EPREFIX}/usr/$(get_libdir)" \ NETCDFLIB="$(pkg-config --libs-only-L netcdf) ${EPREFIX}/usr/$(get_libdir)/libnetcdf.so" \ NETCDFINC="$(pkg-config --cflags-only-I netcdf) ${EPREFIX}/usr/include" \ NETCDFLDFLAGS="$(pkg-config --libs netcdf)" \ LINUX # build vmd cd "${S}"/src emake } src_install() { # install plugins cd "${WORKDIR}"/plugins emake \ PLUGINDIR="${ED}/usr/$(get_libdir)/${PN}/plugins" \ distrib # install vmd cd "${S}"/src emake install # install docs cd "${S}" dodoc Announcement README doc/ig.pdf doc/ug.pdf # remove some of the things we don't want and need in # /usr/lib cd "${ED}"/usr/$(get_libdir)/vmd rm -fr doc README Announcement LICENSE || \ die "failed to clean up /usr/lib/vmd directory" # adjust path in vmd wrapper sed \ -e "s:${ED}::" -i "${ED}"/usr/bin/${PN} \ -e "/^defaultvmddir/s:^.*$:defaultvmddir=\"${EPREFIX}/usr/$(get_libdir)/${PN}\":g" \ || die "failed to set up vmd wrapper script" # install icon and generate desktop entry insinto /usr/share/pixmaps doins "${WORKDIR}"/vmd.png eprefixify "${WORKDIR}"/vmd.desktop domenu "${WORKDIR}"/vmd.desktop }