diff options
author | Justin Lecher <jlec@gentoo.org> | 2015-06-21 10:42:09 +0000 |
---|---|---|
committer | Justin Lecher <jlec@gentoo.org> | 2015-06-21 10:42:09 +0000 |
commit | 1e7174e727a3d149b94508f1b7048d1afcabd954 (patch) | |
tree | 7b02ab703fcccdfa1244e3cd99df1e1d5d32fa8e /sci-chemistry | |
parent | Version Bump; bug #552674 (diff) | |
download | historical-1e7174e727a3d149b94508f1b7048d1afcabd954.tar.gz historical-1e7174e727a3d149b94508f1b7048d1afcabd954.tar.bz2 historical-1e7174e727a3d149b94508f1b7048d1afcabd954.zip |
Version Bump, bug #390165, bug #521292; drop old, obsolets bug #478596, bug #552712
Package-Manager: portage-2.2.20/cvs/Linux x86_64
Manifest-Sign-Key: 0xE9402A79B03529A2!
Diffstat (limited to 'sci-chemistry')
-rw-r--r-- | sci-chemistry/tinker/ChangeLog | 13 | ||||
-rw-r--r-- | sci-chemistry/tinker/Manifest | 33 | ||||
-rw-r--r-- | sci-chemistry/tinker/files/7.1.2-openmp.patch | 15 | ||||
-rw-r--r-- | sci-chemistry/tinker/files/tinker-7.1.2-build.patch | 17 | ||||
-rw-r--r-- | sci-chemistry/tinker/tinker-5.1.09.ebuild | 86 | ||||
-rw-r--r-- | sci-chemistry/tinker/tinker-7.1.2.ebuild (renamed from sci-chemistry/tinker/tinker-6.ebuild) | 27 |
6 files changed, 78 insertions, 113 deletions
diff --git a/sci-chemistry/tinker/ChangeLog b/sci-chemistry/tinker/ChangeLog index f01236edd2df..bc50f1ca4d99 100644 --- a/sci-chemistry/tinker/ChangeLog +++ b/sci-chemistry/tinker/ChangeLog @@ -1,6 +1,14 @@ # ChangeLog for sci-chemistry/tinker -# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/ChangeLog,v 1.33 2012/10/19 10:30:49 jlec Exp $ +# Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/ChangeLog,v 1.34 2015/06/21 10:42:07 jlec Exp $ + +*tinker-7.1.2 (21 Jun 2015) + + 21 Jun 2015; Justin Lecher <jlec@gentoo.org> +files/7.1.2-openmp.patch, + +files/tinker-7.1.2-build.patch, +tinker-7.1.2.ebuild, -tinker-5.1.09.ebuild, + -tinker-6.ebuild: + Version Bump, bug #390165, bug #521292; drop old, obsolets bug #478596, bug + #552712 19 Oct 2012; Justin Lecher <jlec@gentoo.org> tinker-5.1.09.ebuild, tinker-6.ebuild, metadata.xml: @@ -146,4 +154,3 @@ +tinker-4.2.ebuild: (#35945) New molecular mechanics package. Heavily modified ebuild based on that of Jeremy Warren <jwarren@cheesefoam.dyndns.org>. - diff --git a/sci-chemistry/tinker/Manifest b/sci-chemistry/tinker/Manifest index cc1c08103915..cf5a89376676 100644 --- a/sci-chemistry/tinker/Manifest +++ b/sci-chemistry/tinker/Manifest @@ -1,19 +1,30 @@ -----BEGIN PGP SIGNED MESSAGE----- -Hash: SHA256 +Hash: SHA512 AUX 5.1.09-Makefile.patch 319 SHA256 8273ad63e02dec2b286f29289d41a86b1cc750b3d705ac69eeaf0dd890b887de SHA512 35ca6a2f06d3d8a4e622343cd81337316118e0ada899a2fc4f256a277eadf33ca1db7a951a3b05b356640af4d78fee51f738020301b950917ff736752c800e39 WHIRLPOOL 6fa61e9d1cd3f2baaabf961611c44ddf5e2e383a6bd9061d7eabe036f3b517451297e74e152d3de834969edadeba06e873dc113e34c6f3c4cef36fa18b64c426 AUX 6-openmp.patch 396 SHA256 5818373bbac86ee9d7bacbbca029cb33a66df017c36d9363a12f5cbfa2cd8a01 SHA512 df2eabbd488eef1e2bb811814dac88f573756570ee7447f02d5de1be4ecdaae50a1e7a58e626e181ebabbfb608970dfd9088217d7f8182608d35cb13591708bb WHIRLPOOL ca094d1d74d5834516258cbb03bf5aa8d5cde353b6912f26f913cb5781711ff36da7828929845104a17a72417ddc0c49e8d7fff52a3fc2c770843e33620b2a36 -DIST tinker-5.1.09.tar.gz 14071638 SHA256 61765adfe260e3f3083243542dac49d38141191d5d6580e9a66a29c31d5a3183 -DIST tinker-6.tar.gz 18475753 SHA256 f3962cf39df1ccfb2a425837add7de58cda3e21adebbe1141fee6e3869ba5fc0 -EBUILD tinker-5.1.09.ebuild 1901 SHA256 7e33fce276737ae5252584039ec3c84e369bdc3114d1c39b386b129e59f03ccc SHA512 8190d03d4aae6e2e1250109e84667064b1ac0451979175f401b78829282a2d6232465beee01a002444e8f253727d01c0e7522c3bd7f6c86e05e0cd6472e7e069 WHIRLPOOL 47733e1903e4681c9e4829b1f34343a681f774f305857c85e9af0e1f7bd583d0b7a5f7ac68453809b2b4f591d0dfb7a4be8877a3225a92e92a11ab3a89870e0c -EBUILD tinker-6.ebuild 2419 SHA256 6f786bf812dfc0d13aa40ae9794ddd60a4b86063c51971a0f5f89e123aaceb13 SHA512 05567a1af6b298983ee3e9b34b7b18a066ff2ad79840787b5c2c9b6449d81479014542e5e0e5a713619f355bbbc5111a9afc3ce95f4f04de31db63e4a075b1dc WHIRLPOOL 086429d266450e97e0831fa8e125ef972b35409e1371c6fef3a92eab76c397805f987d45412d90da9f17295aefec6a5f141a4068d26a5beee16b4d31837cb902 -MISC ChangeLog 5034 SHA256 933a52353793c4ada67229cc0136aec133ba25dd8865d6da4dd51785e2420887 SHA512 703a25becb3df092f581ef6ed934eeba52451dbeb5fb3e7da1460ad099bbb01de2b355bcab95ff471ed95027ecef4a89638e4c523d6e93822be356a8db90948e WHIRLPOOL 019f999723c9e39c663bc1aa4a3cd7bb4bb9f496262b0c2d2cbce2c5a2376281a2d7263c4ea9bbd93553b4d031442c1e2b79e5570b74d24ad267b7d9cfbf4db6 +AUX 7.1.2-openmp.patch 400 SHA256 67cf53b3801814ab39b4bdbb40db9f500cbc4740e2b7db94a945829ef1961cec SHA512 1af405acc753d602501589725374e88964a55e5954cb77eb1f3c0156fa73936552be9ce5fc4f36c855dfbd4043f12749dfc95aa9b946d80d0e5e6e8100e84ad4 WHIRLPOOL 6f20e980f63f79d3443f46d5608ad241723b73026cc3ec85437cb741a1c2b7b3fe74de428097583f3f34ac05d85e14edfe0490a04d48cccfd64d4ded2850dfb2 +AUX tinker-7.1.2-build.patch 360 SHA256 26fba46b9a72407cfd194cf74d5044b06b41164ae039b0b97f29b1840be4f765 SHA512 b20a4d8e75a781cd9c769dd0b5ae4e1039ea54d7ac61fc3605543b796afa2f4f3957be439f338fd47090a17e9153a466c2f76b364f4d9b7a2705b746f6cefbd3 WHIRLPOOL e102e8fafacc51160e191535355ae6fc7216c76b21234f6878c252eeebcb306bac8678413da26b44ff20a32b7652eda189eb66eb44efd577eb007e8685f8222f +DIST tinker-7.1.2.tar.gz 28468683 SHA256 fdee18915cff9044fd083bb2271083c221db6d05de2cb98fc111b136e23e6899 SHA512 4524259754b0f11d7e2e8997ebd85eae7d28f8dbb1edb2d9818aa0a96640de0049aa4937236694f1a11743dee187d612f775b233a73cc96c2708d620457a7dc2 WHIRLPOOL f3e29eaf67d25ae6d4f3c4e3546798e66bd626929fddd45b9d1ff9f2143cd57dcc5079226f3ceaa142f4c6a168c4a150a51be1336a5ca13384338795ef3a6d46 +EBUILD tinker-7.1.2.ebuild 2372 SHA256 b2fea820b25954304edfb92786dd48ef56a4794dc866bda76839bbc5cdcf9706 SHA512 f43bd926b8d8e9437400e0cbb4e23ed4bf2e869909319453994aafeec007f07e2dfaad439f16514f87240c91ba692b39ea9ca57a44881b8d253afb04a3826c93 WHIRLPOOL 74d467f2666cedd97b3fd074b6c578f8e35bc24b4079bebb1a605e6cc583f49891d06ced4a9979559e7c461f70792fb59874947ab2c2c249a81ad74dbe715294 +MISC ChangeLog 5325 SHA256 628dfafc7626fc1bb8e814c00f4f80e559a5c14a539709499e196e848182c4cd SHA512 a8f802aca8a0e694569ddf5174d7a60c840435d11f745e705d9e381d93ebfdf636c6b790b9f02638b51101e28e688532f09566a6384ec83f7cc5d3af6bf34c86 WHIRLPOOL 81e4ec3bd16032f86598883c50e4a8e93123ef8f8394f8665d2268afbe154fd8b10178eb733188d11078d8f630662db048be7e105e953cd4b30ae90d59be9d38 MISC metadata.xml 167 SHA256 f313eeec4ebffac500b57a98a225e32c77489fc826a50494749b6cdeec28e3e8 SHA512 0f65f650c91edb15011884892b3e2447ec2342f207b6b71541ec25939fed33cd219b1fcd85dd06008b56a50622973febeb63c9c6158f62435c63c4fbd3ab93bd WHIRLPOOL 0823fd1d22e4aea50bcf78c359303d804128475e21e39514505ee6528c9c46376ceafc1f13bb1cc4e1143d434397fb4ef65dc028e924fdc831521947534fd93f -----BEGIN PGP SIGNATURE----- -Version: GnuPG v2.0.19 (GNU/Linux) -Comment: GPGTools - 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-EAPI="2" - -inherit eutils fortran-2 java-pkg-opt-2 toolchain-funcs - -DESCRIPTION="Molecular modeling package that includes force fields, such as AMBER and CHARMM" -HOMEPAGE="http://dasher.wustl.edu/tinker/" -SRC_URI="http://dasher.wustl.edu/${PN}/downloads/${P}.tar.gz" - -SLOT="0" -LICENSE="Tinker" -KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" -IUSE="examples" - -DEPEND=" - >=virtual/jdk-1.6" -RDEPEND=" - dev-libs/maloc - !dev-util/diffuse - >=virtual/jre-1.6" - -RESTRICT="mirror" - -S="${WORKDIR}"/tinker/source - -pkg_setup() { - fortran-2_pkg_setup - java-pkg-opt-2_pkg_setup -} - -src_prepare() { - cd .. - epatch "${FILESDIR}"/${PV}-Makefile.patch -} - -src_compile() { - local javalib= - for i in $(java-config -g LDPATH | sed 's|:| |g'); do - [[ -f ${i}/libjvm.so ]] && javalib=${i} - done - emake -e \ - -f ../make/Makefile \ - F77="$(tc-getFC)" \ - CC="$(tc-getCC) -c" \ - F77FLAGS=-c \ - OPTFLAGS="${FFLAGS}" \ - LINKFLAGS="${LDFLAGS} -Wl,-rpath ${javalib}" \ - INCLUDEDIR="$(java-pkg_get-jni-cflags) -I${EPREFIX}/usr/include" \ - LIBS=" -lmaloc -L${javalib} -ljvm" \ - all || die - mkdir "${S}"/../bin || die - - emake \ - -f ../make/Makefile \ - BINDIR="${S}"/../bin \ - rename || die -} - -src_test() { - cd "${WORKDIR}"/tinker/test/ - for test in *.run; do - einfo "Testing ${test} ..." - bash ${test} || die - done -} - -src_install() { - dobin "${WORKDIR}"/${PN}/perl/mdavg "${WORKDIR}"/${PN}/bin/* || die - - insinto /usr/share/${PN}/ - doins -r "${WORKDIR}"/${PN}/params || die - - dodoc \ - "${WORKDIR}"/${PN}/doc/{*.txt,announce/release-*,*.pdf,0README} || die - - if use examples; then - insinto /usr/share/${P} - doins -r "${WORKDIR}"/${PN}/example || die - - doins -r "${WORKDIR}"/${PN}/test || die - fi - -} diff --git a/sci-chemistry/tinker/tinker-6.ebuild b/sci-chemistry/tinker/tinker-7.1.2.ebuild index 3fd9619c811e..0fe97c213b86 100644 --- a/sci-chemistry/tinker/tinker-6.ebuild +++ b/sci-chemistry/tinker/tinker-7.1.2.ebuild @@ -1,8 +1,8 @@ -# Copyright 1999-2012 Gentoo Foundation +# Copyright 1999-2015 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/tinker-6.ebuild,v 1.6 2012/10/19 10:30:49 jlec Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/tinker-7.1.2.ebuild,v 1.1 2015/06/21 10:42:07 jlec Exp $ -EAPI=2 +EAPI=5 inherit eutils flag-o-matic fortran-2 java-pkg-opt-2 toolchain-funcs @@ -25,7 +25,7 @@ RDEPEND=" RESTRICT="mirror" -S="${WORKDIR}"/${PN}${PV}/source +S="${WORKDIR}"/${PN}/source pkg_setup() { fortran-2_pkg_setup @@ -36,6 +36,7 @@ pkg_setup() { src_prepare() { sed 's:strip:true:g' -i ../make/Makefile [[ $(tc-getFC) =~ "ifort" ]] || epatch "${FILESDIR}"/${PV}-openmp.patch + cd .. && epatch "${FILESDIR}"/${P}-build.patch } src_compile() { @@ -55,7 +56,7 @@ src_compile() { _omplib="-liomp5" fi - _fftwlib="$(pkg-config --libs fftw3 fftw3_threads)" + _fftwlib="$($(tc-getPKG_CONFIG) --libs fftw3 fftw3_threads)" emake \ -f ../make/Makefile \ @@ -66,18 +67,18 @@ src_compile() { LINKFLAGS="${LDFLAGS} -Wl,-rpath ${javalib}" \ INCLUDEDIR="$(java-pkg_get-jni-cflags) -I${EPREFIX}/usr/include" \ LIBS="-lmaloc -L${javalib} -ljvm ${_omplib} ${_fftwlib}" \ - all || die + all mkdir "${S}"/../bin || die emake \ -f ../make/Makefile \ BINDIR="${S}"/../bin \ - rename || die + rename } src_test() { - cd "${WORKDIR}"/${PN}${PV}/test/ + cd "${WORKDIR}"/${PN}/test/ for test in *.run; do einfo "Testing ${test} ..." bash ${test} || die @@ -85,19 +86,19 @@ src_test() { } src_install() { - dobin "${WORKDIR}"/${PN}${PV}/perl/mdavg "${WORKDIR}"/${PN}${PV}/bin/* || die + dobin "${WORKDIR}"/${PN}/perl/mdavg "${WORKDIR}"/${PN}/bin/* insinto /usr/share/${PN}/ - doins -r "${WORKDIR}"/${PN}${PV}/params || die + doins -r "${WORKDIR}"/${PN}/params dodoc \ - "${WORKDIR}"/${PN}${PV}/doc/{*.txt,announce/release-*,*.pdf,0README} || die + "${WORKDIR}"/${PN}/doc/{*.txt,*.pdf,0README} if use examples; then insinto /usr/share/${P} - doins -r "${WORKDIR}"/${PN}${PV}/example || die + doins -r "${WORKDIR}"/${PN}/example - doins -r "${WORKDIR}"/${PN}${PV}/test || die + doins -r "${WORKDIR}"/${PN}/test fi } |