From 73c318acdaf6f8309d68bd266051e6dd1f1bd787 Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Sat, 8 Jun 2019 09:04:53 +0100 Subject: gentoo resync : 08.06.2019 --- sci-chemistry/Manifest.gz | Bin 17230 -> 17236 bytes sci-chemistry/gromacs/Manifest | 20 +- sci-chemistry/gromacs/gromacs-2016.5.ebuild | 6 +- sci-chemistry/gromacs/gromacs-2016.9999.ebuild | 6 +- sci-chemistry/gromacs/gromacs-2018.3.ebuild | 6 +- sci-chemistry/gromacs/gromacs-2018.6.ebuild | 270 ------------------------- sci-chemistry/gromacs/gromacs-2018.7.ebuild | 270 +++++++++++++++++++++++++ sci-chemistry/gromacs/gromacs-2018.9999.ebuild | 6 +- sci-chemistry/gromacs/gromacs-2019.2.ebuild | 6 +- sci-chemistry/gromacs/gromacs-2019.9999.ebuild | 6 +- sci-chemistry/gromacs/gromacs-9999.ebuild | 6 +- 11 files changed, 301 insertions(+), 301 deletions(-) delete mode 100644 sci-chemistry/gromacs/gromacs-2018.6.ebuild create mode 100644 sci-chemistry/gromacs/gromacs-2018.7.ebuild (limited to 'sci-chemistry') diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz index 556564f17fc7..afcb5812232c 100644 Binary files a/sci-chemistry/Manifest.gz and b/sci-chemistry/Manifest.gz differ diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest index dfc352089edd..7b4a1c176053 100644 --- a/sci-chemistry/gromacs/Manifest +++ b/sci-chemistry/gromacs/Manifest @@ -1,17 +1,17 @@ DIST gromacs-2016.5.tar.gz 27369491 BLAKE2B 4a8bf1ae3e298ac2e26ec476130720dc3ef00db5d999e3a45fdbfd7fbfe7e94fbc86be6ff0f2f23552769c8bc851ce49c73f6fc1ab13f372523279b93e7794d7 SHA512 9cb8ff88871aa5df0967c60ba303c03296c6fa3c215cd01b26259df7753f0014f04222078ab4b84a66a1f709997837134d5c0f74da19b78322e410010c9d9e10 DIST gromacs-2018.3.tar.gz 29915626 BLAKE2B 6e6eeafecdd923a25b4a2a78a8e89f793639b57ffbd63f19d133d8474302f9a381041f138a509dadb42b36e25fe508729e860efb6b0c75cdbf01d924b0a8fd83 SHA512 3c4d6eb3942d7b54d01c94c6f6f5ae706e0f5d4f9901ea11a56fde4df97b1a9112007f2cb13feea0f19f30c89f57ae80ff53a8f5203b8cdff103aa903cd0dc8f -DIST gromacs-2018.6.tar.gz 29911431 BLAKE2B a85c20d60dcd550265fcf8591aafc804b2acb8af588e67c808cbd9d53d6dc996013d5f917a9da75960c2ca6a846447700c144b7e471f657d700df9c6fc328f55 SHA512 d62f17ef93d4265407860d4f5adee3e70dc13b94cbb0972d6cc2e17d137b4e49f582c2ff8eb2b97d7a8789841cd1cb9b86edd3f1738d87be81054c8f87587a8b +DIST gromacs-2018.7.tar.gz 29912662 BLAKE2B 0714b28ec2443f3201275fc2fa6db1202a059161362134d4de03a900a3a67fe9d31ba8c058d5ee971198fecd69379fcd389f03d25c61f50b8460c43ba5c564d5 SHA512 fbc3b847b70b1396f412b8f4a1b977268651f8d53a222dcf6349fe563ff6319e096484209a24351e382bc9162a949b3900591f5b469c32dd9effeb894f03c172 DIST gromacs-2019.2.tar.gz 33437869 BLAKE2B bebe4942688dace148856d4491b687b8e0fd2c86d7fbd9eecdb46824d316a0fc3854464ecafa79d8db92327ee8467be204b050c11f1e71132184efd812c3bf09 SHA512 da7ff24e8485774e22d1c2464fbe64675c3305ef0e21a3d17e363201031952e5d4a9b81f572d5284fb6f2596ed99daf62fe78d653387d9d714274f46bc750183 DIST regressiontests-2016.5.tar.gz 67641413 BLAKE2B 4fcd30c198f3acbbabf1104c040d9a686de49536a97dbeb14732bfa0ed3cf37aa61b1b0f45393668985b993d1f1862a8985e416af819cf9793f5964f3e4f43cc SHA512 31764fd99cc4185d61de5d4443ee482c27b13533451a24aa0e4899997ce275a63685424eafacae38b1a3ffd4ce0d5ebe02a90348953b04c104f91376f0edfdff DIST regressiontests-2018.3.tar.gz 67857855 BLAKE2B acd7a05ae79d1b4eb47d0c68a3fec9ee19f028a5019f39c37a033f48cf6da2a468375180ad6ceca9ac4f685a8bead38550663a47d6427b51f84c32a5c810e5f0 SHA512 57980d49efe6dcc3b3d14b5913a30c68fc1de5b679ef986fec1a149c76f67139b0299c3ee2825451461294fab5f345c7ad4f42e90f8991b81aafe9c369f3ff0b -DIST regressiontests-2018.6.tar.gz 67854737 BLAKE2B 1f501eacdb6d052a53e7ac08bfe3d7fd052c5129a28674dc3ec87ab67ee8a64cce5357c1fb4e940c931d4ac0687da77e2600c18c115390d764d620282a626000 SHA512 8b947382b8fc8831ec913a2e300e6e1abc487049fc60bb771695fed56fd33bc3fdf24c1d865029be0266e9deaad05a552651c1a59e25a5c32184cc2c21d749ca +DIST regressiontests-2018.7.tar.gz 67856738 BLAKE2B 955ae8b5e74f90fec704cf41fbd00bd8c09d754f950551fe0adfcd407db6fdb4491a3815149ea37d36c747316c79d462e823b9f6b26f2376bf90d87aad95731b SHA512 c2ff390750bd99faebcd8d5dd8ad6dbf2b00113ed888bddddf985dbf95d7f347093adb67f3c396547b3e2990de330fddb7efe83ded91a72cf97c82a1dac7e826 DIST regressiontests-2019.2.tar.gz 67643003 BLAKE2B 4178de5d62f194a81f97e442c10f123dc59c5e63f2078f7f07135709f3f6e530e0d237bf40264b285c084519d5ace75dfcbcddc16dc740c4f17233dc33542e45 SHA512 c1f25bc770d3f0a873c887d5563c1cd88179e81211b70ce6f5015696e6fa0b6931a8da7a449f2b223f3105b9e2e7eca67248e96fbfc2a7fd5fb360ba616f22ff -EBUILD gromacs-2016.5.ebuild 7971 BLAKE2B 889ded117d36d17c224bdf65ddc8a2e5fcbdb5cdbf58b5774e308fc45e42a7b3734aae1f87d1d95fb3751c18342025a86317e2bf05a82ffa7f9dfaeb47533e5b SHA512 a2ad66f58d79b03e0832ae0daf9b6cbcdceae2873d25318ee7fb9235a41acc1403708206682848c35d2c347ad2ccb72f75c38df38e8899ba07033040b296eb81 -EBUILD gromacs-2016.9999.ebuild 7974 BLAKE2B 5568ed9513fd44da7382370e418ffe456db73076c0000101c96bba4e704e6eece7ef6131379ddbe95c42e9fa4b082346db2ee4f6bb15a25d8c6afd9209db2e5c SHA512 911a5f71d9dde20d11a13cff416db12d6722cf9fb9609895a3d3bd2381c36a875f80f1617f6960deae2ceaa951f60a14738dfe5065f41560cfeecf7ad26b7c70 -EBUILD gromacs-2018.3.ebuild 7822 BLAKE2B af732727b7050314a4d4d38f5d4b753f96f26b3f506aba2be6ad61381fc41988d969251e82bd0c00e690e803c1a1aeddbe5db4e92109b86f128d83b2a02fb9bf SHA512 5dd227aa588940f42e4a05610bbd74e4c5d36daffc37817ccab66b8dde612400a945d48f7087266d85a41629f21496e4f50277ac7aa4eff40f8496158ffacb69 -EBUILD gromacs-2018.6.ebuild 7825 BLAKE2B c15f1b890f9948e30cf81c880eaffb37af50453b04522cb651c862f84240883ca56fad9de6a40c0b5206031d753b5ccec195f2868bf9a8b8f2c69fcbbf9f88ad SHA512 d9893acb9a7913a5539e6dbe4620507038f506964bb8436c9f3dabcad70665f3a0db5ac2fda2d32313bf2f3a0c12b24d3b7a41ea4071886babfd8bac0e031e8e -EBUILD gromacs-2018.9999.ebuild 7825 BLAKE2B 359b7f832c98d897e9ccaa1ecbe39f7b8e7077bbdc2f32b1b722c2a221ebf4c187ed691a14dcb5c044a3d243d319963e50297bcb347c6433e4ddeafb0ba1c1fd SHA512 730eef3897293939c0b00a236b3f8d0964354fba7cf89170e2b028510f7c0aee8a0925f4c0b7d765d5631bedd90e8a3010e190f08dd8ed71505710b79d9061d5 -EBUILD gromacs-2019.2.ebuild 9112 BLAKE2B 636084295bc6c0c4188bf7a1785f4da01139571f32fbea28546c9eb11d0f0c9c00a27965d8f77da39818f1464da9474041a33a1d3b0fb925d86f5b72e85c761b SHA512 fd73f858613c3c3a13f9983f21de504959e0190cdc1a0bc08e2c9f576dbdd03a316b4f5ce30763265411accf364615f3b1867314eb79f31510526786690f4e55 -EBUILD gromacs-2019.9999.ebuild 9112 BLAKE2B 0b972db0fe7e4c4730e9b480ea981b01a9930d128cef5fd589ad06b3f245d845721f74d0ac7b9e08dbed8f85985d3a0a84f361b02221318daf809ef37df9413f SHA512 363db0dfce3fa8459e6f8a07f6c5e5061d143deebc78fdb852557b101cee3fc342cc3c342a878153ced8edb8d8c567b9ab91bb275d3190034dcef6255003c9d7 -EBUILD gromacs-9999.ebuild 8092 BLAKE2B 42eef753c8cc34bfef79a710311a0eab2b445cfc2a88a552a729692a89d3c73348c9fbe210feaa299adc232be2f2b7548a262c3a16f43df31a0797e7007ac40a SHA512 d51775e52a42f01b95d829b6efc083de3a919778384fbf986b47c56459cd25a9b620fc8ae3a6237330989a763d8f0b7f9a7c4cc9878a725bb9a08d5c2fcaa234 +EBUILD gromacs-2016.5.ebuild 7973 BLAKE2B 72b0552595f3187c91bfff89cbe49ac5dbfa1396d82f32428e1519e98aff243f5a68e1c7679386abc8eb0bbb62f40f594def4fa2bf8460134631f5c9e734c456 SHA512 a269b5bc8a484bd27b75f0301267d432d1d0ffa3389f190779acf474410401f8b81fd5ae4fec286472c99e75076da592f06566a777773518b25f2b2b29f9967c +EBUILD gromacs-2016.9999.ebuild 7976 BLAKE2B 24237f4e253faef5df7600baafa01ac9db0e7eacee6c4a5cef6e9e17961e159c701ef8573b3cea4703511f759d7659c5bbd925c8739c1bcf172f9fdf296c7cb2 SHA512 80307361e6b22dcf182bf77c587c31089eb1e85cbda69276bcc90fd85f10a143f69b2568b4ace41104d602793de3fd7219271ca28228ae0b621e23e7c7b58227 +EBUILD gromacs-2018.3.ebuild 7824 BLAKE2B cc5ec314f5338c269d00bb8ec7af34f38134c59dd7009fc593cfa559cc68e69753f17bd8b77f5156f08999a83980d1e1c5684fd9ed489386af309f1babf850aa SHA512 d47c8c6e1e4c1dc5cd2429e5c77f04af822b5995cdd1f93a1331442dfe95d0192bda5565d3837575100f2fe841f1006cd38698ced727525c716d1925c0e65579 +EBUILD gromacs-2018.7.ebuild 7825 BLAKE2B 8ec9d3451720801d0249a6964b3df6dfd774e66a6ec790a0ebaba967d9d9fa23785ed5c229e8821de40f663d6adfaaab1c056ac36b78ebb1ce8213b0bffee7f7 SHA512 5e39cf72d8344c4690161a1ce4a6961ff2fa492167d4dc768de623c3ead7bb40d42a808f5a20386c39530bc33e9d74feca69181929a387c2fb1d41e69dfe7f91 +EBUILD gromacs-2018.9999.ebuild 7827 BLAKE2B 97a2437061a55854dd2799c8bdbec6a342586fc480785ea52de8d6b612c747ace1fba0a1fc3dbec9904cafcb3abdabd363ba0d6285cfc44f60964047c52f5b74 SHA512 975f2bcfdd93df006ec2a8f439a2a90e4c9079c58209ec2828b5647d96c29f7eef7fd0c79da844cc8d4e449b573a75884b19c951649c0028133d3fa87b03934c +EBUILD gromacs-2019.2.ebuild 9113 BLAKE2B 9e111d428ab09ddabe000b17e645a1d35de5efb88cfc3989a2119be9e3533eb8c4c3d8df9e396e0dc8140081e6cdfa8e70323e32e0a56c8b88e39b5d27482fc0 SHA512 b8f234c0dfe092a26d86e6ac856fd9c3221dbda55686d2ea341ba42883fa0b29ed188dfee37bb7859ba069a90a83ddaa2ab117f8694c696ceb58350d25fe393f +EBUILD gromacs-2019.9999.ebuild 9114 BLAKE2B 9286e7663d622e30ca491577c880827006f3bb2a68d2e3fd9c26fdc97541c12ebef06ab9d3b73ea89e0bbb079e79188c10b387366948920ee631c37da0be4ac5 SHA512 70fd567f7cdb9d8f2c7609b56c4522b5c3cc8094856ace84c001daeae390de788ff3c103987a44f09a11bf9cc6802a071511140bbd881423cefb8e70d1f8189c +EBUILD gromacs-9999.ebuild 8094 BLAKE2B 932061da2ed5e2e20d1ca0c1ef9000fd946bbe3720cea6d585863e4bf2d7821b7e7b934d4d33d20a4c6040865c58c61c11f5bc8ce98812ad4f946a95b1c1fb83 SHA512 e3987a36622751c20e6a5b3fa88d43c94e24a30cd513eb2e9f9375457413c9ad131ec3f3012ec94e7574d50233c00d9edd357a44413ac0873edb88df82487ba0 MISC metadata.xml 1123 BLAKE2B 5e945fdf580821b62aaf40c5b4b3252b366284f2df16f02e7c3cf913e5ad498a6a8548bc2e4275d8b80373f88d9879ab59d401e619595014262dcebfe8660f9f SHA512 bac0c94aee957487d8af8a1e06323cb286c8773cef2070d91aff9fdad63eb1bd55f2678dd58dca21b33d8d3e7110d2526e280abd538e3653aee638f6de72090d diff --git a/sci-chemistry/gromacs/gromacs-2016.5.ebuild b/sci-chemistry/gromacs/gromacs-2016.5.ebuild index 15acf0b2cf75..bef5457975aa 100644 --- a/sci-chemistry/gromacs/gromacs-2016.5.ebuild +++ b/sci-chemistry/gromacs/gromacs-2016.5.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2018 Gentoo Authors +# Copyright 1999-2019 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=6 @@ -11,7 +11,7 @@ if [[ $PV = *9999* ]]; then EGIT_REPO_URI="git://git.gromacs.org/gromacs.git https://gerrit.gromacs.org/gromacs.git https://github.com/gromacs/gromacs.git - http://repo.or.cz/r/gromacs.git" + https://repo.or.cz/r/gromacs.git" [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" inherit git-r3 else @@ -26,7 +26,7 @@ DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" # see COPYING for details -# http://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING +# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" diff --git a/sci-chemistry/gromacs/gromacs-2016.9999.ebuild b/sci-chemistry/gromacs/gromacs-2016.9999.ebuild index 1f0b55a666fd..937bdf673d2a 100644 --- a/sci-chemistry/gromacs/gromacs-2016.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-2016.9999.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2018 Gentoo Authors +# Copyright 1999-2019 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=6 @@ -11,7 +11,7 @@ if [[ $PV = *9999* ]]; then EGIT_REPO_URI="git://git.gromacs.org/gromacs.git https://gerrit.gromacs.org/gromacs.git https://github.com/gromacs/gromacs.git - http://repo.or.cz/r/gromacs.git" + https://repo.or.cz/r/gromacs.git" [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" inherit git-r3 else @@ -26,7 +26,7 @@ DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" # see COPYING for details -# http://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING +# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" diff --git a/sci-chemistry/gromacs/gromacs-2018.3.ebuild b/sci-chemistry/gromacs/gromacs-2018.3.ebuild index 45a172545346..fd73db9a9811 100644 --- a/sci-chemistry/gromacs/gromacs-2018.3.ebuild +++ b/sci-chemistry/gromacs/gromacs-2018.3.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2018 Gentoo Authors +# Copyright 1999-2019 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=6 @@ -11,7 +11,7 @@ if [[ $PV = *9999* ]]; then EGIT_REPO_URI="git://git.gromacs.org/gromacs.git https://gerrit.gromacs.org/gromacs.git https://github.com/gromacs/gromacs.git - http://repo.or.cz/r/gromacs.git" + https://repo.or.cz/r/gromacs.git" [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" inherit git-r3 else @@ -26,7 +26,7 @@ DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" # see COPYING for details -# http://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING +# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" diff --git a/sci-chemistry/gromacs/gromacs-2018.6.ebuild b/sci-chemistry/gromacs/gromacs-2018.6.ebuild deleted file mode 100644 index fcd96820cdb3..000000000000 --- a/sci-chemistry/gromacs/gromacs-2018.6.ebuild +++ /dev/null @@ -1,270 +0,0 @@ -# Copyright 1999-2019 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake-utils cuda eutils multilib readme.gentoo-r1 toolchain-funcs xdg-utils - -if [[ $PV = *9999* ]]; then - EGIT_REPO_URI="git://git.gromacs.org/gromacs.git - https://gerrit.gromacs.org/gromacs.git - https://github.com/gromacs/gromacs.git - http://repo.or.cz/r/gromacs.git" - [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" - inherit git-r3 -else - SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz - test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )" - KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" -fi - -ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" - -DESCRIPTION="The ultimate molecular dynamics simulation package" -HOMEPAGE="http://www.gromacs.org/" - -# see COPYING for details -# http://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING -# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib -LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" -SLOT="0/${PV}" -IUSE="X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive opencl openmp +single-precision test +threads +tng ${ACCE_IUSE}" - -CDEPEND=" - X? ( - x11-libs/libX11 - x11-libs/libSM - x11-libs/libICE - ) - blas? ( virtual/blas ) - cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) - opencl? ( virtual/opencl ) - fftw? ( sci-libs/fftw:3.0 ) - hwloc? ( "${T}/${n}" || die - newbashcomp "${T}"/"${n}" "${n}" - done - rm "${ED}"usr/bin/gmx-completion*.bash || die - readme.gentoo_create_doc -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). " - einfo "https://dx.doi.org/10.1021/ct700301q" - einfo - readme.gentoo_print_elog -} diff --git a/sci-chemistry/gromacs/gromacs-2018.7.ebuild b/sci-chemistry/gromacs/gromacs-2018.7.ebuild new file mode 100644 index 000000000000..c0837cefc650 --- /dev/null +++ b/sci-chemistry/gromacs/gromacs-2018.7.ebuild @@ -0,0 +1,270 @@ +# Copyright 1999-2019 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=6 + +CMAKE_MAKEFILE_GENERATOR="ninja" + +inherit bash-completion-r1 cmake-utils cuda eutils multilib readme.gentoo-r1 toolchain-funcs xdg-utils + +if [[ $PV = *9999* ]]; then + EGIT_REPO_URI="git://git.gromacs.org/gromacs.git + https://gerrit.gromacs.org/gromacs.git + https://github.com/gromacs/gromacs.git + https://repo.or.cz/r/gromacs.git" + [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" + inherit git-r3 +else + SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz + test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )" + KEYWORDS="amd64 ~arm x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" +fi + +ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" + +DESCRIPTION="The ultimate molecular dynamics simulation package" +HOMEPAGE="http://www.gromacs.org/" + +# see COPYING for details +# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING +# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib +LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" +SLOT="0/${PV}" +IUSE="X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive opencl openmp +single-precision test +threads +tng ${ACCE_IUSE}" + +CDEPEND=" + X? ( + x11-libs/libX11 + x11-libs/libSM + x11-libs/libICE + ) + blas? ( virtual/blas ) + cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) + opencl? ( virtual/opencl ) + fftw? ( sci-libs/fftw:3.0 ) + hwloc? ( "${T}/${n}" || die + newbashcomp "${T}"/"${n}" "${n}" + done + rm "${ED}"usr/bin/gmx-completion*.bash || die + readme.gentoo_create_doc +} + +pkg_postinst() { + einfo + einfo "Please read and cite:" + einfo "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). " + einfo "https://dx.doi.org/10.1021/ct700301q" + einfo + readme.gentoo_print_elog +} diff --git a/sci-chemistry/gromacs/gromacs-2018.9999.ebuild b/sci-chemistry/gromacs/gromacs-2018.9999.ebuild index 485db2a26acd..0c57c8b32c12 100644 --- a/sci-chemistry/gromacs/gromacs-2018.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-2018.9999.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2018 Gentoo Authors +# Copyright 1999-2019 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=6 @@ -11,7 +11,7 @@ if [[ $PV = *9999* ]]; then EGIT_REPO_URI="git://git.gromacs.org/gromacs.git https://gerrit.gromacs.org/gromacs.git https://github.com/gromacs/gromacs.git - http://repo.or.cz/r/gromacs.git" + https://repo.or.cz/r/gromacs.git" [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" inherit git-r3 else @@ -26,7 +26,7 @@ DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" # see COPYING for details -# http://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING +# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" diff --git a/sci-chemistry/gromacs/gromacs-2019.2.ebuild b/sci-chemistry/gromacs/gromacs-2019.2.ebuild index 18717cf66cc4..066004be22c5 100644 --- a/sci-chemistry/gromacs/gromacs-2019.2.ebuild +++ b/sci-chemistry/gromacs/gromacs-2019.2.ebuild @@ -13,13 +13,13 @@ if [[ $PV = *9999* ]]; then EGIT_REPO_URI="git://git.gromacs.org/gromacs.git https://gerrit.gromacs.org/gromacs.git https://github.com/gromacs/gromacs.git - http://repo.or.cz/r/gromacs.git" + https://repo.or.cz/r/gromacs.git" [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" inherit git-r3 else SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )" - KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" + KEYWORDS="~amd64 ~arm x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" fi ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" @@ -28,7 +28,7 @@ DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" # see COPYING for details -# http://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING +# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" diff --git a/sci-chemistry/gromacs/gromacs-2019.9999.ebuild b/sci-chemistry/gromacs/gromacs-2019.9999.ebuild index c090fc6b03ef..dc5c8185316e 100644 --- a/sci-chemistry/gromacs/gromacs-2019.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-2019.9999.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2018 Gentoo Authors +# Copyright 1999-2019 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=6 @@ -13,7 +13,7 @@ if [[ $PV = *9999* ]]; then EGIT_REPO_URI="git://git.gromacs.org/gromacs.git https://gerrit.gromacs.org/gromacs.git https://github.com/gromacs/gromacs.git - http://repo.or.cz/r/gromacs.git" + https://repo.or.cz/r/gromacs.git" [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" inherit git-r3 else @@ -28,7 +28,7 @@ DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" # see COPYING for details -# http://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING +# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild index 5ef3988c70df..1fcf6ea17036 100644 --- a/sci-chemistry/gromacs/gromacs-9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-9999.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2018 Gentoo Authors +# Copyright 1999-2019 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=6 @@ -11,7 +11,7 @@ if [[ $PV = *9999* ]]; then EGIT_REPO_URI="git://git.gromacs.org/gromacs.git https://gerrit.gromacs.org/gromacs.git https://github.com/gromacs/gromacs.git - http://repo.or.cz/r/gromacs.git" + https://repo.or.cz/r/gromacs.git" [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" inherit git-r3 else @@ -26,7 +26,7 @@ DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" # see COPYING for details -# http://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING +# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" -- cgit v1.2.3