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sci-chemistry/vmd: Version bump
Package-Manager: Portage-2.3.16, Repoman-2.3.6
This commit is contained in:
Alexey Shvetsov
@@ -1,2 +1,4 @@
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DIST vmd-1.9.2-gentoo-patches.tar.xz 14896 SHA256 91508b384cb0a8aab8d8cfc31c1e7e0bc4225dbd7cdb36fbaefcfe8baca9442c SHA512 0516b9e57b256ce822a64df420ebf3ab7391722757caeaa7e615526242043e9375fee8f4ee86fb4eb8de7a50d5cfc8f8d973ace5fa082e6f9010eb692cd6ee51 WHIRLPOOL 3f87d24ad0ca7eb60e0ae3d561da7c61e0caa9fe8bb71cd3a06731228926d4c16ee03699d80adf02e2c9b263f96ea8d5b096e64e3e94b0208b1cb618c8a8a7ca
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DIST vmd-1.9.2.src.tar.gz 34903084 SHA256 870ee1e483ad23eb7f3bb6ac816cb7be5df893879dddc0bda8423a011993ccdb SHA512 b232b743d4ea97dcf76e3005e1c8716d7138602edc078c4846026ab67759c8559af956182cb1acf3c85890db10b6f658ac9c269d432f2595612cf376d6d505ef WHIRLPOOL e2489b4bd8f28359ee959d6ebec3a9e775fbaf7a25baa1324c99dd04c7768e002924c671c11830ec6e9589ecc9de4864f2bcf3dfaf9eb36f5a1d03d5e5841f17
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DIST vmd-1.9.2-gentoo-patches.tar.xz 14896 BLAKE2B eb7c7fb982602f37bd8374bf8458a0a2ea2202161248caffd0d4e0f8124d627755304bb778976e1cf5598b6bfbbe5d8c8e6016c9ec562204d6782aaaf179b185 SHA512 0516b9e57b256ce822a64df420ebf3ab7391722757caeaa7e615526242043e9375fee8f4ee86fb4eb8de7a50d5cfc8f8d973ace5fa082e6f9010eb692cd6ee51
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DIST vmd-1.9.2.src.tar.gz 34903084 BLAKE2B f7f7048ef7bb72a8b0dcae955c7f90691085158c38a59229d5b929a4b52d3148bdb2f40084cf8c4544f01cb8bcb57de1d98a90bd17568a07c4ebb8f6985cec9b SHA512 b232b743d4ea97dcf76e3005e1c8716d7138602edc078c4846026ab67759c8559af956182cb1acf3c85890db10b6f658ac9c269d432f2595612cf376d6d505ef
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DIST vmd-1.9.3-gentoo-patches.tar.xz 14804 BLAKE2B 64e5df40ed88c23c924d32636495f0383590f91dbb714e64c73551072bb50d72b4e5f188fb2da58d32e84b4bc96ff0297d7ff1bf02b0481198901c4e12e4ee59 SHA512 5d506d4df5ca4a3edb33d77aeeb440fcb4750a250c77103b99f385f356eb9d71d954173b981d3a50f7a714cfc872587e5040868904e50fa1f6fd69d7e4d9f1b1
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DIST vmd-1.9.3.src.tar 129566720 BLAKE2B 848f3280d51765dcd18722dd233e0cdee3b7c0ac3dd48324260ebe1604ba781ca0a1fe4cae6652501d23d5d41712020e17dbb6bc21a1856eb3289a4aab6b774b SHA512 0502df1e8b60c570ca88b779b4153acfaa599a78df53fa96fca36301bab902864118332b5524ae7d170d3a9e429cf1e13d69e1197268b5e841afc0bb56a737ba
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250
sci-chemistry/vmd/vmd-1.9.3.ebuild
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250
sci-chemistry/vmd/vmd-1.9.3.ebuild
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# Copyright 1999-2017 Gentoo Foundation
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# Distributed under the terms of the GNU General Public License v2
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EAPI=5
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PYTHON_COMPAT=( python2_7 )
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inherit cuda eutils flag-o-matic multilib prefix python-single-r1 toolchain-funcs
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DESCRIPTION="Visual Molecular Dynamics"
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HOMEPAGE="http://www.ks.uiuc.edu/Research/vmd/"
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SRC_URI="
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https://dev.gentoo.org/~jlec/distfiles/${P}-gentoo-patches.tar.xz
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${P}.src.tar"
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SLOT="0"
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LICENSE="vmd"
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KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
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IUSE="cuda gromacs msms povray sqlite tachyon xinerama"
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REQUIRED_USE="${PYTHON_REQUIRED_USE}"
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RESTRICT="fetch"
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# currently, tk-8.5* with USE=truetype breaks some
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# tk apps such as Sequence Viewer or Timeline.
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CDEPEND="
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>=dev-lang/tk-8.6.1
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dev-lang/perl
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dev-libs/expat
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dev-python/numpy[${PYTHON_USEDEP}]
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sci-libs/netcdf:0=
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virtual/opengl
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>=x11-libs/fltk-1.1.10-r2:1
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x11-libs/libXft
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x11-libs/libXi
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${PYTHON_DEPS}
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cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
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gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] )
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sqlite? ( dev-db/sqlite:3= )
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tachyon? ( >=media-gfx/tachyon-0.99_beta6 )
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xinerama? ( x11-libs/libXinerama )"
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DEPEND="${CDEPEND}
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virtual/pkgconfig
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dev-lang/swig"
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RDEPEND="${CDEPEND}
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sci-biology/stride
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sci-chemistry/surf
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x11-terms/xterm
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msms? ( sci-chemistry/msms-bin )
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povray? ( media-gfx/povray )
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"
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VMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=VMD"
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# Binary only plugin!!
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QA_PREBUILT="usr/lib*/vmd/plugins/LINUX/tcl/intersurf1.1/bin/intersurf.so"
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QA_FLAGS_IGNORED_amd64=" usr/lib64/vmd/plugins/LINUX/tcl/volutil1.3/volutil"
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QA_FLAGS_IGNORED_x86=" usr/lib/vmd/plugins/LINUX/tcl/volutil1.3/volutil"
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pkg_nofetch() {
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elog "Please download ${P}.src.tar.gz from"
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elog "${VMD_DOWNLOAD}"
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elog "after agreeing to the license and get"
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elog "https://dev.gentoo.org/~jlec/distfiles/${P}-gentoo-patches.tar.xz"
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elog "Place both in ${DISTDIR}"
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}
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src_prepare() {
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use cuda && cuda_sanitize
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epatch "${FILESDIR}"/${PN}-1.9.1-cuda-device_ptr.patch
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cd "${WORKDIR}"/plugins || die
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epatch \
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"${WORKDIR}"/${P}-gentoo-plugins.patch
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[[ ${SILENT} == yes ]] || sed '/^.SILENT/d' -i $(find -name Makefile)
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sed \
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-e "s:CC = gcc:CC = $(tc-getCC):" \
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-e "s:CXX = g++:CXX = $(tc-getCXX):" \
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-e "s:COPTO =.*\":COPTO = -fPIC -o \":" \
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-e "s:LOPTO = .*\":LOPTO = ${LDFLAGS} -fPIC -o \":" \
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-e "s:CCFLAGS =.*\":CCFLAGS = ${CFLAGS}\":" \
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-e "s:CXXFLAGS =.*\":CXXFLAGS = ${CXXFLAGS}\":" \
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-e "s:SHLD = gcc:SHLD = $(tc-getCC) -shared:" \
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-e "s:SHXXLD = g++:SHXXLD = $(tc-getCXX) -shared:" \
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-e "s:-ltcl8.5:-ltcl:" \
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-i Make-arch || die "Failed to set up plugins Makefile"
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sed \
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-e '/^AR /s:=:?=:g' \
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-e '/^RANLIB /s:=:?=:g' \
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-i ../plugins/*/Makefile || die
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tc-export AR RANLIB
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sed \
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-e "s:\$(CXXFLAGS)::g" \
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-i hesstrans/Makefile || die
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# prepare vmd itself
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cd "${S}" || die
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epatch "${WORKDIR}"/${P}-gentoo-base.patch
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# PREFIX
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sed \
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-e "s:/usr/include/:${EPREFIX}/usr/include:g" \
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-i configure || die
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sed \
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-e "s:gentoo-bindir:${ED}/usr/bin:g" \
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-e "s:gentoo-libdir:${ED}/usr/$(get_libdir):g" \
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-e "s:gentoo-opengl-include:${EPREFIX}/usr/include/GL:g" \
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-e "s:gentoo-opengl-libs:${EPREFIX}/usr/$(get_libdir):g" \
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-e "s:gentoo-gcc:$(tc-getCC):g" \
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-e "s:gentoo-g++:$(tc-getCXX):g" \
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-e "s:gentoo-nvcc:${EPREFIX}/opt/cuda/bin/nvcc:g" \
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-e "s:gentoo-cflags:${CFLAGS}:g" \
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-e "s:gentoo-cxxflags:${CXXFLAGS}:g" \
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-e "s:gentoo-nvflags::g" \
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-e "s:gentoo-ldflags:${LDFLAGS}:g" \
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-e "s:gentoo-plugindir:${WORKDIR}/plugins:g" \
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-e "s:gentoo-fltk-include:$(fltk-config --includedir):g" \
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-e "s:gentoo-fltk-libs:$(dirname $(fltk-config --libs)) -Wl,-rpath,$(dirname $(fltk-config --libs)):g" \
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-e "s:gentoo-netcdf-include:${EPREFIX}/usr/include:g" \
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-e "s:gentoo-netcdf-libs:${EPREFIX}/usr/$(get_libdir):g" \
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-i configure || die
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if use cuda; then
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sed \
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-e "s:gentoo-cuda-lib:${EPREFIX}/opt/cuda/$(get_libdir):g" \
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-e "/NVCCFLAGS/s:=:= ${NVCCFLAGS}:g" \
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-i configure src/Makefile || die
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sed \
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-e '/compute_/d' \
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-i configure || die
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sed \
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-e 's:-gencode .*code=sm_..::' \
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-i src/Makefile || die
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fi
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sed \
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-e "s:LINUXPPC:LINUX:g" \
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-e "s:LINUXALPHA:LINUX:g" \
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-e "s:LINUXAMD64:LINUX:g" \
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-e "s:gentoo-stride:${EPREFIX}/usr/bin/stride:g" \
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-e "s:gentoo-surf:${EPREFIX}/usr/bin/surf:g" \
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-e "s:gentoo-tachyon:${EPREFIX}/usr/bin/tachyon:g" \
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-i "${S}"/bin/vmd.sh || die "failed setting up vmd wrapper script"
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EMAKEOPTS=(
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TCLINC="-I${EPREFIX}/usr/include"
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TCLLIB="-L${EPREFIX}/usr/$(get_libdir)"
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TCLLDFLAGS="-shared"
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NETCDFLIB="$($(tc-getPKG_CONFIG) --libs-only-L netcdf) ${EPREFIX}/usr/$(get_libdir)/libnetcdf.so"
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NETCDFINC="$($(tc-getPKG_CONFIG) --cflags-only-I netcdf) ${EPREFIX}/usr/include"
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NETCDFLDFLAGS="$($(tc-getPKG_CONFIG) --libs netcdf)"
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NETCDFDYNAMIC=1
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EXPATINC="-I${EPREFIX}/usr/include"
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EXPATLIB="$($(tc-getPKG_CONFIG) --libs expat)"
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EXPATLDFLAGS="-shared"
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EXPATDYNAMIC=1
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)
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if use gromacs; then
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EMAKEOPTS+=(
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TNGLIB="$($(tc-getPKG_CONFIG) --libs libgromacs)"
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TNGINC="-I${EPREFIX}/usr/include"
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TNGLDFLAGS="-shared"
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TNGDYNAMIC=1
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)
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fi
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if use sqlite; then
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EMAKEOPTS+=(
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SQLITELIB="$($(tc-getPKG_CONFIG) --libs sqlite3)"
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SQLITEINC="-I${EPREFIX}/usr/include"
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SQLITELDFLAGS="-shared"
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SQLITEDYNAMIC=1
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)
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fi
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}
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src_configure() {
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local myconf="OPENGL OPENGLPBUFFER COLVARS FLTK TK TCL PTHREADS PYTHON IMD NETCDF NUMPY NOSILENT XINPUT"
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rm -f configure.options && echo $myconf >> configure.options
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use cuda && myconf+=" CUDA"
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# use mpi && myconf+=" MPI"
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use tachyon && myconf+=" LIBTACHYON" && append-cflags -I"${EPREFIX}/usr/include/tachyon"
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use xinerama && myconf+=" XINERAMA"
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export \
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PYTHON_INCLUDE_DIR="$(python_get_includedir)" \
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PYTHON_LIBRARY_DIR="$(python_get_library_path)" \
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PYTHON_LIBRARY="$(python_get_LIBS)" \
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NUMPY_INCLUDE_DIR="$(python_get_sitedir)/numpy/core/include" \
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NUMPY_LIBRARY_DIR="$(python_get_sitedir)/numpy/core/include"
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perl ./configure LINUX \
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${myconf} || die
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}
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src_compile() {
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# build plugins
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cd "${WORKDIR}"/plugins || die
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emake \
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${EMAKEOPTS[@]} \
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LINUX
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# build vmd
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cd "${S}"/src || die
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emake
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}
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src_install() {
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# install plugins
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cd "${WORKDIR}"/plugins || die
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emake \
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PLUGINDIR="${ED}/usr/$(get_libdir)/${PN}/plugins" \
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distrib
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# install vmd
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cd "${S}"/src || die
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emake install
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# install docs
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cd "${S}" || die
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dodoc Announcement README doc/ig.pdf doc/ug.pdf
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# remove some of the things we don't want and need in
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# /usr/lib
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cd "${ED}"/usr/$(get_libdir)/vmd || die
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rm -fr doc README Announcement LICENSE || \
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die "failed to clean up /usr/lib/vmd directory"
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# adjust path in vmd wrapper
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sed \
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-e "s:${ED}::" -i "${ED}"/usr/bin/${PN} \
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-e "/^defaultvmddir/s:^.*$:defaultvmddir=\"${EPREFIX}/usr/$(get_libdir)/${PN}\":g" \
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|| die "failed to set up vmd wrapper script"
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# install icon and generate desktop entry
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insinto /usr/share/pixmaps
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doins "${WORKDIR}"/vmd.png
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eprefixify "${WORKDIR}"/vmd.desktop
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sed -i '/^Path/d' "${WORKDIR}"/vmd.desktop || die
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domenu "${WORKDIR}"/vmd.desktop
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}
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