diff options
author | Justin Lecher <jlec@gentoo.org> | 2012-01-21 16:50:09 +0000 |
---|---|---|
committer | Justin Lecher <jlec@gentoo.org> | 2012-01-21 16:50:09 +0000 |
commit | 52788ffb2f45855f7741f75f376685aa25fbb7a2 (patch) | |
tree | 1e128ceed989f2647d1997c9eb487abf84cb8bbc /sci-chemistry/autodock_vina | |
parent | x86 stable wrt bug #398613 (diff) | |
download | historical-52788ffb2f45855f7741f75f376685aa25fbb7a2.tar.gz historical-52788ffb2f45855f7741f75f376685aa25fbb7a2.tar.bz2 historical-52788ffb2f45855f7741f75f376685aa25fbb7a2.zip |
Version Bump, #399289
Package-Manager: portage-2.2.0_alpha84/cvs/Linux x86_64
Diffstat (limited to 'sci-chemistry/autodock_vina')
-rw-r--r-- | sci-chemistry/autodock_vina/ChangeLog | 10 | ||||
-rw-r--r-- | sci-chemistry/autodock_vina/Manifest | 17 | ||||
-rw-r--r-- | sci-chemistry/autodock_vina/autodock_vina-1.1.2.ebuild | 44 | ||||
-rw-r--r-- | sci-chemistry/autodock_vina/files/1.1.2-gentoo.patch | 72 | ||||
-rw-r--r-- | sci-chemistry/autodock_vina/metadata.xml | 12 |
5 files changed, 140 insertions, 15 deletions
diff --git a/sci-chemistry/autodock_vina/ChangeLog b/sci-chemistry/autodock_vina/ChangeLog index 131dd6268cfe..6c3913f29c50 100644 --- a/sci-chemistry/autodock_vina/ChangeLog +++ b/sci-chemistry/autodock_vina/ChangeLog @@ -1,6 +1,12 @@ # ChangeLog for sci-chemistry/autodock_vina -# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/autodock_vina/ChangeLog,v 1.3 2011/04/06 16:42:37 jlec Exp $ +# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/autodock_vina/ChangeLog,v 1.4 2012/01/21 16:50:09 jlec Exp $ + +*autodock_vina-1.1.2 (21 Jan 2012) + + 21 Jan 2012; Justin Lecher <jlec@gentoo.org> +files/1.1.2-gentoo.patch, + +autodock_vina-1.1.2.ebuild, metadata.xml: + Version Bump, #399289 06 Apr 2011; Justin Lecher <jlec@gentoo.org> autodock_vina-1.1.1-r1.ebuild: Fix compilation problem with =dev-libs/boost-1.46, #362243; thanks few and diff --git a/sci-chemistry/autodock_vina/Manifest b/sci-chemistry/autodock_vina/Manifest index 37a280d32b62..43fc0c49f375 100644 --- a/sci-chemistry/autodock_vina/Manifest +++ b/sci-chemistry/autodock_vina/Manifest @@ -1,15 +1,18 @@ -----BEGIN PGP SIGNED MESSAGE----- -Hash: SHA1 +Hash: SHA512 AUX 1.1.1-gentoo.patch 2377 RMD160 ba9aad38e4e64de9e7c2040593daaadee9b7052c SHA1 785f42d6d6d86bad025fc7a820f14dab49132aeb SHA256 3d6b388b831d1a2eab9025c7881a0bac9b71a8e1a5abbad7a05d4ba4c0fbc6ea +AUX 1.1.2-gentoo.patch 2448 RMD160 54c1f3b15a25fb4c2b1b53e45143555a82de0752 SHA1 bba2eb51bca3d97178e32bf70d865ed8b9af2567 SHA256 41a0f4091be44dc2a59a7f32fedc18fb6e8266740284c756f5b79f39a5080d57 DIST autodock_vina_1_1_1.tgz 66972 RMD160 3e65dd8e38f9f726c9200057fc37e0fcafe7d460 SHA1 620b2f5713b7ad2f13cc90ddb837dfd9fd2b4875 SHA256 f9aaf6b2a322775e1be30f22fb69573418610300c0ab2b9345fd6accc1c1b9fd +DIST autodock_vina_1_1_2.tgz 67366 RMD160 02e5f7b291d62cebae88238e0110c8d2b38abc03 SHA1 e6321035a05897c05039093385ed087af933db1f SHA256 b86412d316960b1e4e319401719daf57ff009229d91654d623c3cf09339f6776 EBUILD autodock_vina-1.1.1-r1.ebuild 1020 RMD160 7caccdcdb9a96e355c818d3a42f590b9517ad900 SHA1 b869fbef808c6c1ccf2a3ed99664203c33701305 SHA256 3b516413a7f9f41d6cfa00f78f4001f7f0235cb6827b9f3a0d705bab60f59a27 -MISC ChangeLog 845 RMD160 b755dd87db7e6d8aefeb9c5960bca42d17bb60fc SHA1 58f38e250dd1b23486d7a295086b9a137bbff54b SHA256 fb60cb03a41ecdab852362d0bae47a5b6fc974a41281b007c17998f0e9671b75 -MISC metadata.xml 1185 RMD160 bcd92b227b83161c855b38524f9416bfeb95e428 SHA1 00b02d67f1971261710d2dffea4048cd1e1bb997 SHA256 cd897855c248d4844803928178f91fada942f9c66060c74fb0766a157f96e08c +EBUILD autodock_vina-1.1.2.ebuild 997 RMD160 5d2415d27bcf622873e03933a1e78f0a48873009 SHA1 d3248c74da0fee426fd8df44297deee5ef085ba7 SHA256 d3e5bb622efedcca4eed5036a3e58b8fb83c02bc3631c1e20395d165639e1c30 +MISC ChangeLog 1025 RMD160 9311ee5680279cf468ce0ca29d047a500bea4279 SHA1 522a4046fc21ff640b2610c917ee58c99aa21205 SHA256 4fb147ab317c8fc1974b9a7359ced23155edf08d482af73ad5cac3f2d9794933 +MISC metadata.xml 1190 RMD160 9f8ce7aa693e14e9d40e358c0615e9a38fed7ddb SHA1 1ebf8c816ccfc53d7fed9332bdfe4aa3998f031d SHA256 d119f55da5157fa4993f5fc467f9f3f08f76e349dc998744ef459bbdaf78e156 -----BEGIN PGP SIGNATURE----- -Version: GnuPG v2.0.17 (GNU/Linux) +Version: GnuPG v2.0.18 (GNU/Linux) -iEYEARECAAYFAk2cmAMACgkQgAnW8HDreRaIhQCbBX6dMBRBJbwIpgDpnu7iGIw4 -4I8AoLFojbMIIFHl1MFTUmgZmvktZoUH -=rf+J +iEYEAREKAAYFAk8a7MsACgkQgAnW8HDreRY65QCghpNpqPTTWj0FknDusTJVKaBp +TnsAn0WltzMEz1PF9jOGyPufz9IgjkNY +=96EY -----END PGP SIGNATURE----- diff --git a/sci-chemistry/autodock_vina/autodock_vina-1.1.2.ebuild b/sci-chemistry/autodock_vina/autodock_vina-1.1.2.ebuild new file mode 100644 index 000000000000..a88aebaa92d5 --- /dev/null +++ b/sci-chemistry/autodock_vina/autodock_vina-1.1.2.ebuild @@ -0,0 +1,44 @@ +# Copyright 1999-2012 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/autodock_vina/autodock_vina-1.1.2.ebuild,v 1.1 2012/01/21 16:50:09 jlec Exp $ + +EAPI=4 + +inherit eutils flag-o-matic versionator + +MY_P="${PN}_$(replace_all_version_separators _)" + +DESCRIPTION="Program for drug discovery, molecular docking and virtual screening" +HOMEPAGE="http://vina.scripps.edu/" +SRC_URI="http://vina.scripps.edu/download/${MY_P}.tgz" + +SLOT="0" +KEYWORDS="~amd64 ~x86" +LICENSE="Apache-2.0" +IUSE="debug" + +RDEPEND="dev-libs/boost" +DEPEND="${RDEPEND}" + +S="${WORKDIR}"/${MY_P}/build/linux/release + +src_prepare() { + cd "${WORKDIR}"/${MY_P} && epatch "${FILESDIR}"/${PV}-gentoo.patch +} + +src_compile() { + local c_options + + use debug || c_options="-DNDEBUG" + + append-cxxflags -DBOOST_FILESYSTEM_VERSION=2 + + emake \ + BASE="${EPREFIX}"/usr/ \ + GPP="$(tc-getCXX)" \ + C_OPTIONS="${c_options}" +} + +src_install() { + dobin vina{,_split} +} diff --git a/sci-chemistry/autodock_vina/files/1.1.2-gentoo.patch b/sci-chemistry/autodock_vina/files/1.1.2-gentoo.patch new file mode 100644 index 000000000000..61ae8bec36f5 --- /dev/null +++ b/sci-chemistry/autodock_vina/files/1.1.2-gentoo.patch @@ -0,0 +1,72 @@ + build/linux/debug/Makefile | 2 +- + build/linux/release/Makefile | 2 +- + build/makefile_common | 14 +++++++------- + 3 files changed, 9 insertions(+), 9 deletions(-) + +diff --git a/build/linux/debug/Makefile b/build/linux/debug/Makefile +index 6a41cfc..8097fb9 100644 +--- a/build/linux/debug/Makefile ++++ b/build/linux/debug/Makefile +@@ -1,7 +1,7 @@ + BASE=/usr/local + BOOST_VERSION=1_41 + BOOST_INCLUDE = $(BASE)/include +-C_PLATFORM=-static -pthread ++C_PLATFORM=-pthread + GPP=/usr/local/bin/g++ + C_OPTIONS= -g + BOOST_LIB_VERSION= +diff --git a/build/linux/release/Makefile b/build/linux/release/Makefile +index 1de1063..ded8133 100644 +--- a/build/linux/release/Makefile ++++ b/build/linux/release/Makefile +@@ -1,7 +1,7 @@ + BASE=/usr/local + BOOST_VERSION=1_41 + BOOST_INCLUDE = $(BASE)/include +-C_PLATFORM=-static -pthread ++C_PLATFORM=-pthread + GPP=/usr/local/bin/g++ + C_OPTIONS= -O3 -DNDEBUG + BOOST_LIB_VERSION= +diff --git a/build/makefile_common b/build/makefile_common +index a940329..96336e8 100644 +--- a/build/makefile_common ++++ b/build/makefile_common +@@ -2,29 +2,29 @@ LIBOBJ = cache.o coords.o current_weights.o everything.o grid.o szv_grid.o manif + MAINOBJ = main.o + SPLITOBJ = split.o + +-INCFLAGS = -I $(BOOST_INCLUDE) ++INCFLAGS = -I$(BOOST_INCLUDE) + + # -pedantic fails on Mac with Boost 1.41 (syntax problems in their headers) + #CC = ${GPP} ${C_PLATFORM} -ansi -pedantic -Wno-long-long ${C_OPTIONS} $(INCFLAGS) + CC = ${GPP} ${C_PLATFORM} -ansi -Wno-long-long ${C_OPTIONS} $(INCFLAGS) + +-LDFLAGS = -L$(BASE)/lib -L. ++LDFLAGS += -L. + +-LIBS = -l boost_system${BOOST_LIB_VERSION} -l boost_thread${BOOST_LIB_VERSION} -l boost_serialization${BOOST_LIB_VERSION} -l boost_filesystem${BOOST_LIB_VERSION} -l boost_program_options${BOOST_LIB_VERSION}#-l pthread ++LIBS = -lboost_system -lboost_thread -lboost_serialization -lboost_filesystem -lboost_program_options -lpthread + + .SUFFIXES: .cpp .o + + %.o : ../../../src/lib/%.cpp +- $(CC) $(CFLAGS) -o $@ -c $< ++ $(CC) $(CXXFLAGS) -o $@ -c $< + + %.o : ../../../src/design/%.cpp +- $(CC) $(CFLAGS) -I ../../../src/lib -o $@ -c $< ++ $(CC) $(CXXFLAGS) -I ../../../src/lib -o $@ -c $< + + %.o : ../../../src/main/%.cpp +- $(CC) $(CFLAGS) -I ../../../src/lib -o $@ -c $< ++ $(CC) $(CXXFLAGS) -I ../../../src/lib -o $@ -c $< + + %.o : ../../../src/split/%.cpp +- $(CC) $(CFLAGS) -I ../../../src/lib -o $@ -c $< ++ $(CC) $(CXXFLAGS) -I ../../../src/lib -o $@ -c $< + + all: vina vina_split + diff --git a/sci-chemistry/autodock_vina/metadata.xml b/sci-chemistry/autodock_vina/metadata.xml index 3663c619b433..8836d2a13a76 100644 --- a/sci-chemistry/autodock_vina/metadata.xml +++ b/sci-chemistry/autodock_vina/metadata.xml @@ -1,11 +1,11 @@ <?xml version="1.0" encoding="UTF-8"?> <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> <pkgmetadata> -<herd>sci-chemistry</herd> -<maintainer> - <email>jlec@gentoo.org</email> -</maintainer> -<longdescription> + <herd>sci-chemistry</herd> + <maintainer> + <email>jlec@gentoo.org</email> + </maintainer> + <longdescription> AutoDock Vina is a new open-source program for drug discovery, molecular docking and virtual screening, offering multi-core capability, high performance and enhanced accuracy and ease of use. [1] @@ -17,7 +17,7 @@ of docking with a new scoring function, efficient optimization and multithreading Journal of Computational Chemistry 31 (2010) 455-461 </longdescription> -<!-- + <!-- <use> <flag name='flag'>Description of how USE='flag' affects this package</flag> <flag name='userland_GNU'>Description of how USERLAND='GNU' affects this |