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commit: 446a9f633b7faf69bf1c6b8624f8f2e965b7dc74 |
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Author: Alexey Shvetsov <alexxy <AT> omrb <DOT> pnpi <DOT> spb <DOT> ru> |
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AuthorDate: Fri Dec 8 14:37:27 2017 +0000 |
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Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org> |
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CommitDate: Fri Dec 8 14:37:27 2017 +0000 |
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URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=446a9f63 |
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|
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sci-chemistry/vmd: Version bump |
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|
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Package-Manager: Portage-2.3.16, Repoman-2.3.6 |
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|
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sci-chemistry/vmd/Manifest | 6 +- |
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sci-chemistry/vmd/vmd-1.9.3.ebuild | 250 +++++++++++++++++++++++++++++++++++++ |
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2 files changed, 254 insertions(+), 2 deletions(-) |
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|
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diff --git a/sci-chemistry/vmd/Manifest b/sci-chemistry/vmd/Manifest |
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index 8f003565998..49868a8280d 100644 |
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--- a/sci-chemistry/vmd/Manifest |
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+++ b/sci-chemistry/vmd/Manifest |
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@@ -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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|
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diff --git a/sci-chemistry/vmd/vmd-1.9.3.ebuild b/sci-chemistry/vmd/vmd-1.9.3.ebuild |
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new file mode 100644 |
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index 00000000000..81ebf51d9c2 |
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--- /dev/null |
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+++ b/sci-chemistry/vmd/vmd-1.9.3.ebuild |
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@@ -0,0 +1,250 @@ |
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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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+ |
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+EAPI=5 |
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+ |
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+PYTHON_COMPAT=( python2_7 ) |
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+ |
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+inherit cuda eutils flag-o-matic multilib prefix python-single-r1 toolchain-funcs |
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+ |
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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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+ ${P}.src.tar" |
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+ |
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+SLOT="0" |
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+LICENSE="vmd" |
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+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" |
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+IUSE="cuda gromacs msms povray sqlite tachyon xinerama" |
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+REQUIRED_USE="${PYTHON_REQUIRED_USE}" |
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+ |
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+RESTRICT="fetch" |
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+ |
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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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+ |
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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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+ |
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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 ${DISTDIR}" |
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+} |
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+ |
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+src_prepare() { |
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+ use cuda && cuda_sanitize |
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+ |
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+ epatch "${FILESDIR}"/${PN}-1.9.1-cuda-device_ptr.patch |
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+ |
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+ cd "${WORKDIR}"/plugins || die |
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+ |
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+ epatch \ |
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+ "${WORKDIR}"/${P}-gentoo-plugins.patch |
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+ |
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+ [[ ${SILENT} == yes ]] || sed '/^.SILENT/d' -i $(find -name Makefile) |
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+ |
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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 = $(tc-getCXX) -shared:" \ |
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+ -e "s:-ltcl8.5:-ltcl:" \ |
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+ -i Make-arch || die "Failed to set up plugins Makefile" |
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+ |
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+ sed \ |
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+ -e '/^AR /s:=:?=:g' \ |
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+ -e '/^RANLIB /s:=:?=:g' \ |
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+ -i ../plugins/*/Makefile || die |
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+ |
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+ tc-export AR RANLIB |
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+ |
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+ sed \ |
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+ -e "s:\$(CXXFLAGS)::g" \ |
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+ -i hesstrans/Makefile || die |
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+ |
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+ # prepare vmd itself |
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+ cd "${S}" || die |
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+ |
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+ epatch "${WORKDIR}"/${P}-gentoo-base.patch |
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+ |
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+ # PREFIX |
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+ sed \ |
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+ -e "s:/usr/include/:${EPREFIX}/usr/include:g" \ |
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+ -i configure || die |
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+ |
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+ sed \ |
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+ -e "s:gentoo-bindir:${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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+ |
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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:=:= ${NVCCFLAGS}:g" \ |
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+ -i configure src/Makefile || die |
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+ sed \ |
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+ -e '/compute_/d' \ |
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+ -i configure || die |
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+ sed \ |
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+ -e 's:-gencode .*code=sm_..::' \ |
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+ -i src/Makefile || die |
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+ fi |
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+ |
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+ sed \ |
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+ -e "s:LINUXPPC:LINUX:g" \ |
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+ -e "s:LINUXALPHA:LINUX:g" \ |
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+ -e "s:LINUXAMD64:LINUX:g" \ |
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+ -e "s:gentoo-stride:${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 "${S}"/bin/vmd.sh || die "failed setting up vmd wrapper script" |
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+ |
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+ EMAKEOPTS=( |
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+ TCLINC="-I${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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+ |
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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 $myconf >> configure.options |
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+ |
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+ use cuda && myconf+=" CUDA" |
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+# use mpi && myconf+=" MPI" |
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+ use tachyon && myconf+=" LIBTACHYON" && append-cflags -I"${EPREFIX}/usr/include/tachyon" |
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+ use xinerama && myconf+=" XINERAMA" |
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+ |
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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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+ |
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+ perl ./configure LINUX \ |
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+ ${myconf} || die |
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+} |
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+ |
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+src_compile() { |
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+ # build plugins |
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+ cd "${WORKDIR}"/plugins || die |
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+ |
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+ emake \ |
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+ ${EMAKEOPTS[@]} \ |
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+ LINUX |
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+ |
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+ # build vmd |
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+ cd "${S}"/src || die |
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+ emake |
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+} |
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+ |
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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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+ |
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+ # install vmd |
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+ cd "${S}"/src || die |
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+ emake install |
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+ |
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+ # install docs |
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+ cd "${S}" || die |
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+ dodoc Announcement README doc/ig.pdf doc/ug.pdf |
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+ |
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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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+ |
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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)/${PN}\":g" \ |
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+ || die "failed to set up vmd wrapper script" |
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+ |
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+ # install icon and generate desktop entry |
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+ insinto /usr/share/pixmaps |
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+ doins "${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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+} |