sci-chemistry/vmd: drop 1.9.4_alpha51
Signed-off-by: Pacho Ramos <pacho@gentoo.org>
This commit is contained in:
Pacho Ramos
parent
7d374e6585
commit
0b747add2f
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DIST vmd-1.9.4_alpha51-gentoo-patches.tar.xz 14604 BLAKE2B f8621956785d365cc056ba53373120d8f99da1476ab9789af6bb8ef00b8dd8c2a4c3599d75e13eba2fc5630b291aed966ce64f7f408504b079e3e994e45da243 SHA512 c57fd81e667e405ab1208a4e4a1d63710e593c07f554420c32980becd3547c2df98fbf6e439a53a626121fc361559f1ba53ab7b7235c97422bba61ece59d23bc
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DIST vmd-1.9.4_alpha57-gentoo-patches.tar.xz 14612 BLAKE2B e50a2fc734038207174dd5cc525f01824ce324a65b8ce604f83862ce50be6b1950d199188a717e2368b2b050256a4705662009e3530d621b19c52bb109b6a844 SHA512 6283076e47dfcd780bbc94f9ca2b044a028a472c09d78616d373813d81ec764bf1697e56a8f487f9f0999cf409c0f141bf248156f60851073347d1b640a6953c
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DIST vmd-1.9.4a51.src.tar.gz 42826371 BLAKE2B 239d87f975c41a71096083028c1db8bf40cc058fc687fd9fff3c14c97c9b12bd68818d4c2eaeefd8c95c661409f1f056bce42178d0ba9271aa344fdce6f81ea9 SHA512 b42af6a4a7b1d2f0d242f89bff3a1c25a608ff59b9902b90154ba82a40439afb802a2d319363fa388a5211420fdaf0ee9bfd1f0a0e6e85d89d1dd506b373ba40
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DIST vmd-1.9.4a55.src.tar.gz 43049895 BLAKE2B 311fdbf8742647d1dbba8346e8559d26b19ec445bb5df4b23f684c5769997e2261e200b8118668d296654f59ab340fc150f5aa33fc808ad55f2e78ce7030960b SHA512 1be5f50555423120fd8c5c335a346a40253fb80cc352f08907d864f6b34d3debe28d9a3fbf821c3a6c7c86c615fd09735c05aadf1b4503722075e9ab0b946378
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DIST vmd-1.9.4a57.src.tar.gz 43155120 BLAKE2B de0da96f6681c24e7b1d38890f109088187198cbdddb3d86d783322e837b7a71224085699f3addf2833cf293ab2689f06ab47df284b8fbe080162740094ae844 SHA512 0a3726d8fa279ac62c368cd18724cd09535618454ff6e299d147291ef5d4198ad9d58a94f0b05699ec8a23128753c55e7397c95a5ce194e36d3fabef1bcf454c
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@ -1,270 +0,0 @@
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# Copyright 1999-2021 Gentoo Authors
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# Distributed under the terms of the GNU General Public License v2
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EAPI=7
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PYTHON_COMPAT=( python3_{8..9} )
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inherit cuda desktop flag-o-matic prefix python-single-r1 toolchain-funcs xdg
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DESCRIPTION="Visual Molecular Dynamics"
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HOMEPAGE="http://www.ks.uiuc.edu/Research/vmd/"
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MY_PV="${PV/_alpha/a}"
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MY_P="${PN}-${MY_PV}"
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SRC_URI="
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${MY_P}.src.tar.gz
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https://dev.gentoo.org/~pacho/${PN}/${P}-gentoo-patches.tar.xz
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"
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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="${PYTHON_REQUIRED_USE}"
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RESTRICT="fetch"
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CDEPEND="${PYTHON_DEPS}
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$(python_gen_cond_dep '
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dev-python/numpy[${PYTHON_USEDEP}]
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')
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>=dev-lang/tk-8.6.1:0=
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dev-lang/perl
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dev-libs/expat
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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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cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
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gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[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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"
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DEPEND="${CDEPEND}"
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BDEPEND="
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virtual/pkgconfig
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dev-lang/swig
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"
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RDEPEND="${CDEPEND}
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sci-biology/stride
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sci-chemistry/chemical-mime-data
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sci-chemistry/surf
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x11-misc/xdg-utils
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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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S="${WORKDIR}/${MY_P}"
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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/intersurf/bin/intersurf.so"
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QA_FLAGS_IGNORED_amd64=" usr/lib64/vmd/plugins/LINUX/tcl/volutil/volutil"
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QA_FLAGS_IGNORED_x86=" usr/lib/vmd/plugins/LINUX/tcl/volutil/volutil"
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pkg_nofetch() {
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elog "Please download ${MY_P}.src.tar.gz from"
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elog "${VMD_DOWNLOAD}"
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elog "after agreeing to the license and get"
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elog "https://dev.gentoo.org/~pacho/${PN}/${P}-gentoo-patches.tar.xz"
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elog "Place them into your DISTDIR directory."
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}
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src_prepare() {
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# Apply user patches from ${WORKDIR} to allow patching on patches
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# subdir too
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cd "${WORKDIR}"
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xdg_src_prepare
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# https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/32121.html
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# https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/32116.html
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eapply "${WORKDIR}"/${PN}-patches/${PN}-1.9.4a51-gentoo-plugins.patch
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use cuda && cuda_sanitize
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# Prepare plugins
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cd plugins || die
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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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eapply "${WORKDIR}"/${PN}-patches/${PN}-1.9.4a51-gentoo-paths.patch
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# https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/32122.html
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eapply "${WORKDIR}"/${PN}-patches/${PN}-1.9.4-tmpdir.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 $(fltk-config --libs)):g" \
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-e "s:gentoo-libtachyon-include:${EPREFIX}/usr/include/tachyon:g" \
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-e "s:gentoo-libtachyon-libs:${EPREFIX}/usr/$(get_libdir):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 $myconf >> configure.options
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use cuda && myconf+=" CUDA"
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# use mpi && myconf+=" MPI"
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use tachyon && myconf+=" LIBTACHYON"
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use xinerama && myconf+=" XINERAMA"
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export \
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PYTHON_INCLUDE_DIR="$(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-patches/vmd.png
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eprefixify "${WORKDIR}"/vmd-patches/vmd.desktop
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domenu "${WORKDIR}"/vmd-patches/vmd.desktop
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}
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