diff options
Diffstat (limited to 'sci-chemistry/vmd/vmd-1.9.1.ebuild')
| -rw-r--r-- | sci-chemistry/vmd/vmd-1.9.1.ebuild | 207 |
1 files changed, 207 insertions, 0 deletions
diff --git a/sci-chemistry/vmd/vmd-1.9.1.ebuild b/sci-chemistry/vmd/vmd-1.9.1.ebuild new file mode 100644 index 000000000000..e2c148b4da24 --- /dev/null +++ b/sci-chemistry/vmd/vmd-1.9.1.ebuild @@ -0,0 +1,207 @@ +# Copyright 1999-2012 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.ebuild,v 1.1 2012/02/14 13:28:08 alexxy Exp $ + +EAPI="3" + +PYTHON_DEPEND="2" + +inherit eutils multilib python toolchain-funcs + +DESCRIPTION="Visual Molecular Dynamics" +HOMEPAGE="http://www.ks.uiuc.edu/Research/vmd/" +SRC_URI=" + mirror://gentoo/${P}-gentoo-patches.tar.xz + ${P}.src.tar.gz" + +SLOT="0" +LICENSE="vmd" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="cuda msms povray tachyon xinerama" + +RESTRICT="fetch" + +# currently, tk-8.5* with USE=truetype breaks some +# tk apps such as Sequence Viewer or Timeline. +CDEPEND=" + || ( + >=dev-lang/tk-8.5[-truetype] + =dev-lang/tk-8.4* + ) + dev-lang/perl + dev-python/numpy + sci-libs/netcdf + virtual/opengl + >=x11-libs/fltk-1.1.10-r2:1 + x11-libs/libXft + x11-libs/libXi + cuda? ( >=dev-util/nvidia-cuda-toolkit-3.1 ) + xinerama? ( x11-libs/libXinerama )" +DEPEND="${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_TEXTRELS="usr/lib*/vmd/plugins/LINUX/tcl/intersurf1.1/bin/intersurf.so" +QA_PRESTRIPPED="usr/lib*/vmd/plugins/LINUX/tcl/intersurf1.1/bin/intersurf.so" +QA_DT_HASH_amd64="usr/lib64/vmd/plugins/LINUX/tcl/intersurf1.1/bin/intersurf.so" +QA_DT_HASH_x86="usr/lib/vmd/plugins/LINUX/tcl/intersurf1.1/bin/intersurf.so" + +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.tar.xz" + elog "Place both in ${DISTDIR}" +} + +src_prepare() { + cd "${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 = $(tc-getCXX) -shared:" \ + -e "s:-ltcl8.5:-ltcl:" \ + -i Make-arch || die "Failed to set up plugins Makefile" + + # prepare vmd itself + cd "${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 gcc44_bindir="$(ls -d ${EPREFIX}/usr/*pc-linux-gnu/gcc-bin/4.4*)" + + sed \ + -e "s:gentoo-cuda-lib:${EPREFIX}/opt/cuda/$(get_libdir):g" \ + -e "/^\$arch_nvccflags/s:=:= \"--compiler-bindir=${gcc44_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)" \ + NETCDFINC="$(pkg-config --cflags-only-I netcdf)" \ + NETCDFLDFLAGS="$(pkg-config --libs netcdf)" \ + LINUX || die + + # build vmd + cd "${S}"/src + emake || die "failed to build vmd" +} + +src_install() { + # install plugins + cd "${WORKDIR}"/plugins + emake \ + PLUGINDIR="${ED}/usr/$(get_libdir)/${PN}/plugins" \ + distrib || die "failed to install plugins" + + # install vmd + cd "${S}"/src + emake install || die "failed to install vmd" + + # install docs + cd "${S}" + dodoc Announcement README doc/ig.pdf doc/ug.pdf || die + + # remove some of the things we don't want and need in + # /usr/lib + cd "${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 "${WORKDIR}"/vmd.png || die "Failed to install vmd icon" + insinto /usr/share/applications + doins "${WORKDIR}"/vmd.desktop || die "Failed to install desktop entry" +} |