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commit: 7d374e6585c28845b4370683b4eb3ad266436b60 |
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Author: Pacho Ramos <pacho <AT> gentoo <DOT> org> |
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AuthorDate: Fri May 20 19:28:06 2022 +0000 |
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Commit: Pacho Ramos <pacho <AT> gentoo <DOT> org> |
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CommitDate: Fri May 20 19:30:24 2022 +0000 |
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URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=7d374e65 |
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|
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sci-chemistry/vmd: add 1.9.4_alpha57 |
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|
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Signed-off-by: Pacho Ramos <pacho <AT> gentoo.org> |
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|
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sci-chemistry/vmd/Manifest | 2 + |
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sci-chemistry/vmd/vmd-1.9.4_alpha57.ebuild | 269 +++++++++++++++++++++++++++++ |
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2 files changed, 271 insertions(+) |
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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 584d38bd84a5..0cc49d841bd2 100644 |
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--- a/sci-chemistry/vmd/Manifest |
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+++ b/sci-chemistry/vmd/Manifest |
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@@ -1,3 +1,5 @@ |
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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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|
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diff --git a/sci-chemistry/vmd/vmd-1.9.4_alpha57.ebuild b/sci-chemistry/vmd/vmd-1.9.4_alpha57.ebuild |
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new file mode 100644 |
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index 000000000000..d4c354c5bd35 |
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--- /dev/null |
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+++ b/sci-chemistry/vmd/vmd-1.9.4_alpha57.ebuild |
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@@ -0,0 +1,269 @@ |
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+# Copyright 1999-2022 Gentoo Authors |
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+# Distributed under the terms of the GNU General Public License v2 |
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+ |
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+EAPI=8 |
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+PYTHON_COMPAT=( python3_{8..10} ) |
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+ |
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+inherit cuda desktop flag-o-matic prefix python-single-r1 toolchain-funcs xdg |
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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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+ |
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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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+ ${MY_P}.src.tar.gz |
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+ fetch+https://dev.gentoo.org/~pacho/${PN}/${PN}-1.9.4_alpha57-gentoo-patches.tar.xz |
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+" |
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+ |
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+SLOT="0" |
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+LICENSE="vmd" |
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+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" |
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+ |
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+IUSE="cuda gromacs msms povray sqlite tachyon xinerama" |
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+REQUIRED_USE="${PYTHON_REQUIRED_USE}" |
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+ |
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+RESTRICT="fetch" |
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+ |
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+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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+ |
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+S="${WORKDIR}/${MY_P}" |
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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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+ |
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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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+ |
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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." |
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+ elog "Place it into your DISTDIR directory." |
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+} |
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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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+ default |
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+ |
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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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+ |
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+ use cuda && cuda_sanitize |
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+ |
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+ # Prepare plugins |
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+ cd plugins || die |
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+ |
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+ 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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+ eapply "${WORKDIR}"/${PN}-patches/${PN}-1.9.4a51-gentoo-paths.patch |
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+ |
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+ # https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/32122.html |
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+ eapply "${WORKDIR}"/${PN}-patches/${PN}-1.9.4-tmpdir.patch |
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+ |
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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 $(fltk-config --libs)):g" \ |
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+ -e "s:gentoo-libtachyon-include:${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/$(get_libdir):g" \ |
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+ -i configure || die |
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+ |
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+ if use cuda; then |
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+ sed \ |
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+ -e "s:gentoo-cuda-lib:${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 $myconf >> configure.options |
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+ |
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+ use cuda && myconf+=" CUDA" |
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+# use mpi && myconf+=" MPI" |
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+ use tachyon && myconf+=" LIBTACHYON" |
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+ use xinerama && myconf+=" XINERAMA" |
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+ |
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+ export \ |
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+ PYTHON_INCLUDE_DIR="$(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-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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+} |