From 6405cba4bf18141460bc9fcb8f5580532d4b46f8 Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Sat, 28 Sep 2024 01:25:58 +0100 Subject: gentoo auto-resync : 28:09:2024 - 01:25:57 --- sci-physics/Manifest.gz | Bin 4373 -> 4364 bytes sci-physics/fastjet-contrib/Manifest | 2 + .../fastjet-contrib/fastjet-contrib-1.055.ebuild | 53 ++++++ sci-physics/fastjet/Manifest | 5 +- sci-physics/fastjet/fastjet-3.4.3.ebuild | 89 ++++++++++ sci-physics/fastjet/fastjet-9999.ebuild | 89 ++++++++++ sci-physics/fastjet/metadata.xml | 3 + sci-physics/lammps/Manifest | 10 +- sci-physics/lammps/lammps-20220217-r1.ebuild | 166 ------------------ sci-physics/lammps/lammps-20220217.ebuild | 164 ------------------ sci-physics/lammps/lammps-20220623.ebuild | 166 ------------------ sci-physics/lammps/lammps-20230328.ebuild | 166 ------------------ sci-physics/lammps/lammps-20240829.ebuild | 190 +++++++++++++++++++++ 13 files changed, 433 insertions(+), 670 deletions(-) create mode 100644 sci-physics/fastjet-contrib/fastjet-contrib-1.055.ebuild create mode 100644 sci-physics/fastjet/fastjet-3.4.3.ebuild create mode 100644 sci-physics/fastjet/fastjet-9999.ebuild delete mode 100644 sci-physics/lammps/lammps-20220217-r1.ebuild delete mode 100644 sci-physics/lammps/lammps-20220217.ebuild delete mode 100644 sci-physics/lammps/lammps-20220623.ebuild delete mode 100644 sci-physics/lammps/lammps-20230328.ebuild create mode 100644 sci-physics/lammps/lammps-20240829.ebuild (limited to 'sci-physics') diff --git a/sci-physics/Manifest.gz b/sci-physics/Manifest.gz index 6386a11716b6..2f4a57d38819 100644 Binary files a/sci-physics/Manifest.gz and b/sci-physics/Manifest.gz differ diff --git a/sci-physics/fastjet-contrib/Manifest b/sci-physics/fastjet-contrib/Manifest index 9a8ff359ff47..a0f2b1b79f45 100644 --- a/sci-physics/fastjet-contrib/Manifest +++ b/sci-physics/fastjet-contrib/Manifest @@ -2,7 +2,9 @@ AUX fastjet-contrib-1.049-ar.patch 5345 BLAKE2B d372187f781da47b128c5cdde8909da4 AUX fastjet-contrib-1.049-musl.patch 416 BLAKE2B f781792afa8e5c7a979225c649df00e10d720d9576a53d68bbb359371cd035776a80a34f405d76707254ec2202c5cda557839e1dbe5478aba3464eee35f2fd7e SHA512 d17b3273ba09a4be6c15f451ec9b8bffb028115ba9e67c6a61b505a31ae2577ee2038c40d57e6b986b0b2f433c9e2eb623cea1f600147e5af7c3831a8b85e4a7 AUX fastjet-contrib-1.049-soname.patch 667 BLAKE2B 14fd4ad56300414fc13b4ddd89e59ee064f1531e2217e0c5ca35e6a1567f9c18e88c8f06104dd0a3f28486fa86ecd3ebf495520f57d0fc12b0934e1004b4b2bb SHA512 5dd0999f6847f6bfdeabb0432bfe639f5f5d42171e21711959fe6155f73ec3e2dd6cdc2156345ba3cec2534f48c9977337372d15a04ab1e86697dbd7affb9fdd DIST fastjet-contrib-1.053.tar.gz 912109 BLAKE2B b195c415163d9ebf8e48d2516ea44014f0f4b112307a86d536e82d62121b0e22d8c862468fddcc8570eea6137c1d757586941af80112459a528e261764a0fb96 SHA512 b8888d30abaead7ec084d551d05dbd53f5a03e226fd58ec1e4c236cb022868c5134a4199dde262f18334628f4b58d532bd0e7955e81d8d964a985646d376878b +DIST fastjet-contrib-1.055.tar.gz 945588 BLAKE2B 5dc40313fa3b1decb1bd6e2ac8ce486b1905e7be3d575e54e43b82982f50202c5eea060390851b92c3f4b08472b8c3f0e304e5bd345e07f4742749ed892d3960 SHA512 2140c4198b704336449bbaed5625428d5e97ae1b744ff83837932189a72f20ba0226843517130cfb0d74fb395abd19c3377f232a86e0e734aded27d52c4ac71d DIST fjcontrib-1.049.tar.gz 850931 BLAKE2B ed80c231220794cda36fb0cbbad225eb8d741f2de5558878f17d1774e16e3046d2af4b0cb895d5fc897f382c36f50def0b3ecb0fba06010347752e0a59ee402f SHA512 21dc066cc8f2667f41377924bad6c3df625fa73d16b6bc3dd49ff76e6e15abbfeac0317850699e7047a7c2445c4a94a67d0f37119922163eae8bf77a56edd9e6 EBUILD fastjet-contrib-1.049-r2.ebuild 1176 BLAKE2B a1dff8e3cf2b57a58ea07abf421f5e14b78ee1f46b1ba6893820af9e7a7a99ec0c1fa270b53782134cbc5f4c1359f7282c243dc983bbd31e8338900ff2ffa3e8 SHA512 9d0f628b55a4756219c6381d1816c42fc4382bd9a80fa2a4a600d82b2e58f381b32b561de4f2ed07360253431406b5d53ab01fc2a1a3eb7476bb319d39b7220a EBUILD fastjet-contrib-1.053.ebuild 1269 BLAKE2B 634dd077c79c50d0aec03936fe44946da5f754a6fe0679059e066fbb557f54367fa7161831e55e898eef155223719d792ebd9fc2423cd5b9a461166add8988ca SHA512 77fec427d37fdd693885672917ea0f03b3935159f16594ff457538c66dd0a7f68183cc1bf36435998ff7ec9367549813690d1d459be791ba5978a15f1f60251d +EBUILD fastjet-contrib-1.055.ebuild 1231 BLAKE2B 87b08312fb95cabd7e2f9bcdc1410d4197112b4a415aa924cf6e2f603a73c0b65ec4d5abb54527bc0b90153c1783506eaab761025dbd3b9fe90ded035e08192b SHA512 4709d60facdc12836a9c6a6d0fb5d854161c638adb766fe6000030cfa5469ba288abaa925ed1a423f6d67a2edd48b6bd5bb7ec724e4c328db57cb39080f7fc2b MISC metadata.xml 702 BLAKE2B 14570ef3a3740d253725da436f3b496c479288aaa7c32c3e6fe16339f13b58d91b067a00e482b1ede080c5a1f735bdee9ce80ea3c234878caa5bc60a2cf65f03 SHA512 dc1e158453b8517eea9c2dc95f4caf5f6352498b6cbce29cd0d6f207548e877403a6a21471b69db48813a2cb327b172865e49c813ea3b6b0780f8ada6465a3c0 diff --git a/sci-physics/fastjet-contrib/fastjet-contrib-1.055.ebuild b/sci-physics/fastjet-contrib/fastjet-contrib-1.055.ebuild new file mode 100644 index 000000000000..f48a5b1a4594 --- /dev/null +++ b/sci-physics/fastjet-contrib/fastjet-contrib-1.055.ebuild @@ -0,0 +1,53 @@ +# Copyright 2024 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +inherit toolchain-funcs + +MY_PN=fjcontrib +MY_P=${MY_PN}-${PV} + +DESCRIPTION="3rd party extensions of FastJet." +HOMEPAGE="https://fastjet.hepforge.org/contrib/" +SRC_URI="https://fastjet.hepforge.org/contrib/downloads/${MY_P}.tar.gz -> ${P}.tar.gz" +S="${WORKDIR}/${MY_P}" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64" + +DEPEND=">=sci-physics/fastjet-3.4.0" +RDEPEND="${DEPEND}" + +PATCHES=( + "${FILESDIR}"/${PN}-1.049-soname.patch + "${FILESDIR}"/${PN}-1.049-ar.patch +) + +src_configure() { + tc-export CXX AR RANLIB + ./configure \ + --prefix="${ESYSROOT}/usr" \ + --fastjet-config="${ESYSROOT}/usr/bin/fastjet-config" \ + RANLIB="${RANLIB}" \ + AR="${AR}" \ + CXX="${CXX}" \ + CFLAGS="${CFLAGS}" \ + CXXFLAGS="${CXXFLAGS}" \ + FFLAGS="${FFLAGS}" \ + LDFLAGS="${LDFLAGS}" || die +} + +src_compile() { + emake + emake fragile-shared +} + +src_install() { + emake install PREFIX="${ED}/usr" + dolib.so libfastjetcontribfragile.so + # The name used for requesting this library varies + dosym libfastjetcontribfragile.so /usr/$(get_libdir)/libfastjetcontribfragile.so.0 + dosym libfastjetcontribfragile.so /usr/$(get_libdir)/fastjetcontribfragile.so.0 +} diff --git a/sci-physics/fastjet/Manifest b/sci-physics/fastjet/Manifest index 800b2971a8d7..31942e960997 100644 --- a/sci-physics/fastjet/Manifest +++ b/sci-physics/fastjet/Manifest @@ -2,6 +2,9 @@ AUX fastjet-3.4.0-gfortran.patch 460 BLAKE2B 59fc23a0326274363bdaa325b279c3b7987 AUX fastjet-3.4.0-system-siscone.patch 3905 BLAKE2B dbd08874af57cf611b40d4a0ec8c8acff5acff5a6a0959e45b486926a3e50e5ff2c4ac9992161e11666cf09ca52a189c51cb192f907c97b2d8b60c96f5a90fed SHA512 448171e01cc608b0b8e84d1a1bb4e2a146e81fefd6b660e149d181b5c6fdd71f8317e92fe301d47e359819cb03a757034d66a2ab5be96cc2b2d7fc500de6afcc DIST fastjet-3.4.0.tar.gz 2959127 BLAKE2B c99e89ee5cea3fd4e3edebdfebb50efd3c58e7ab15215a384c44120ac930882bd2d4e446b61977fe65dcc49056b958c6510abb7c5889024ae49776b1955bd023 SHA512 af8aeb6197f6bd82ec5f127647f49cd5d455c20e614c23d928b850fc97bc12c70cf6e3b09f1bb0308c2a080fcd4fa13416eea0195695060efaa0e400a687d7b7 DIST fastjet-3.4.2.tar.gz 2973605 BLAKE2B f51b26fdb2611084679a79905c6da460edcf3ad3139bdb2384fe95600e474f4bdb028b24c43456e018c5fb9535491c929d1ec2032d184536efd6b2ef16d54ae1 SHA512 e7702699e67ba5af73f1fe931fe5f67b9f52bb2f0cfdc57dbacf408741e6271ed160503fe6142c92621287df49b441ce7562af589353b199fed09a4c4c839f3f +DIST fastjet-3.4.3.tar.gz 2984798 BLAKE2B ba203a21c5658555606e4ed83fce4cb3dc0a077b0407c336255a7be2ea861a196d57c2f7db03dbd4dad946b8c68827d0d967b3c009d62232d39827342c7ae492 SHA512 9df7fb6ea1082473929d5963eb58c3d420557a2f52e793432f5bd838e8f7212d0a3c3606b98c3dfeeb3a76ffac73926cb7822aaf499d64a65b2cb2bb845fdb77 EBUILD fastjet-3.4.0-r1.ebuild 1725 BLAKE2B 74e7f6f3f5227f5da9f14a51fead044f38a9c8cad0301b8f975366c9110bf32c9b00ae362c3b01a2625be50945883f3691fe7429fe8382e0df27871d20ba7616 SHA512 29f965ddb89b1dfbb5d698105426f75ec35d3d7c40e7751f08b73094db72ee1ad6f61f41a3b9fe4b5846f91ce1b1fc69f71936443cffd1d2830c5ea83b966e3c EBUILD fastjet-3.4.2.ebuild 1911 BLAKE2B 777d04f8f1038edfc1e60bf7b24f88fbf9e3c9d3ba4ec14e70cd8e8a41662a4911293b65604ead8e406db834538822324be596bad77ab4f94cbf5a8a386ccbb9 SHA512 399c5a9d7a3cf298bb014790e5754664b620c0dc2f00feffc6fece7526475658605e53db0146ee97cd19311040632219df7349f83e69a1ec332fb39e8208113a -MISC metadata.xml 847 BLAKE2B e83be614f0f62c0134590b689846e3fd481d49268bc45d2cd0a8fcf4628d56551a76336843da0c596e992dd0aefa829de07cb0877d3bba8aa1123c7f9f54d062 SHA512 b9fc075c1fb0cd8da6f44ddc2ce55b4f3492bf23a6ec3a56865559afdfbd2a1d79bcd07d34974c5f44e96edca08830c057852fa85a7ab88b8b2f784c4a34519f +EBUILD fastjet-3.4.3.ebuild 2018 BLAKE2B 97546ebdc14b4da0518506313696d9368a780d3c357f6c14c643441cde76794827555bc95f6cc55588e9851af842cf2ea7c0460da2dcd9419ad28c6e8ad12e4e SHA512 3c25afabb726b10d845f82b9f4533af84c068b22628f64308112ffd37c50d2fe7bde0311aea060ba38953443a1d313d09228e6c1f98894f3ef28c91e1a1d4d6c +EBUILD fastjet-9999.ebuild 2018 BLAKE2B 97546ebdc14b4da0518506313696d9368a780d3c357f6c14c643441cde76794827555bc95f6cc55588e9851af842cf2ea7c0460da2dcd9419ad28c6e8ad12e4e SHA512 3c25afabb726b10d845f82b9f4533af84c068b22628f64308112ffd37c50d2fe7bde0311aea060ba38953443a1d313d09228e6c1f98894f3ef28c91e1a1d4d6c +MISC metadata.xml 925 BLAKE2B e34aa8e2826ac86680e4ef327e189811907d9a2b9a7df5821649aaa379e3e0024d9804b03287987c99b6a40c4caaa3d31d832a6dc69fbb84b234ddf430f79d75 SHA512 43b54c4ada8c10ba0d8ec4bd660ad6561b6edba379d6eacd1999bb2b108488bd8bb41973760c274471c68c7fc0c9745a7843ea04d9339b847c8057f7284d24e8 diff --git a/sci-physics/fastjet/fastjet-3.4.3.ebuild b/sci-physics/fastjet/fastjet-3.4.3.ebuild new file mode 100644 index 000000000000..f8b55a9cec69 --- /dev/null +++ b/sci-physics/fastjet/fastjet-3.4.3.ebuild @@ -0,0 +1,89 @@ +# Copyright 2024 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +FORTRAN_NEEDED=plugins +PYTHON_COMPAT=( python3_{10..12} ) +DOCS_BUILDER="doxygen" +DOCS_DEPEND=" + media-gfx/graphviz + media-libs/freetype + virtual/latex-base +" + +inherit autotools docs flag-o-matic fortran-2 python-single-r1 + +DESCRIPTION="A software package for jet finding in pp and e+e- collisions" +HOMEPAGE="https://fastjet.fr/" +if [[ ${PV} == 9999 ]]; then + inherit git-r3 + EGIT_REPO_URI="https://gitlab.com/fastjet/fastjet" +else + SRC_URI="https://fastjet.fr/repo/${P}.tar.gz" + KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +fi + +LICENSE="GPL-2+" +SLOT="0" +IUSE="cgal examples python +plugins" +REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" + +# cgal is header-only in version 5.4 and up. We need to use the +# special --enable-cgal-header-only argument to use these versions. +DEPEND=" + cgal? ( >=sci-mathematics/cgal-5.4:=[shared(+)] ) + plugins? ( sci-physics/siscone:= ) + python? ( ${PYTHON_DEPS} ) +" +RDEPEND="${DEPEND}" +BDEPEND="app-shells/bash" + +PATCHES=( + "${FILESDIR}"/${PN}-3.4.0-system-siscone.patch + "${FILESDIR}"/${PN}-3.4.0-gfortran.patch +) + +pkg_setup() { + use python && python-single-r1_pkg_setup +} + +src_prepare() { + default + eautoreconf +} + +src_configure() { + use cgal && \ + has_version 'sci-mathematics/cgal[gmp]' && append-libs -lgmp + # only bash compatible + sed -i 's#/bin/sh#/bin/bash#g' ./configure || die + econf \ + $(use_enable cgal cgal-header-only) \ + $(use_enable plugins allplugins) \ + $(use_enable plugins allcxxplugins) \ + --enable-shared \ + --enable-static=no \ + --disable-static \ + --disable-auto-ptr \ + $(use_enable python pyext) +} + +src_compile() { + default + docs_compile +} + +src_install() { + default + use python && python_optimize + if use examples; then + emake -C example maintainer-clean + find example -iname 'makefile*' -delete || die + + docinto examples + dodoc -r example/. + docompress -x /usr/share/doc/${PF}/examples + fi + find "${ED}" -name '*.la' -delete || die +} diff --git a/sci-physics/fastjet/fastjet-9999.ebuild b/sci-physics/fastjet/fastjet-9999.ebuild new file mode 100644 index 000000000000..f8b55a9cec69 --- /dev/null +++ b/sci-physics/fastjet/fastjet-9999.ebuild @@ -0,0 +1,89 @@ +# Copyright 2024 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +FORTRAN_NEEDED=plugins +PYTHON_COMPAT=( python3_{10..12} ) +DOCS_BUILDER="doxygen" +DOCS_DEPEND=" + media-gfx/graphviz + media-libs/freetype + virtual/latex-base +" + +inherit autotools docs flag-o-matic fortran-2 python-single-r1 + +DESCRIPTION="A software package for jet finding in pp and e+e- collisions" +HOMEPAGE="https://fastjet.fr/" +if [[ ${PV} == 9999 ]]; then + inherit git-r3 + EGIT_REPO_URI="https://gitlab.com/fastjet/fastjet" +else + SRC_URI="https://fastjet.fr/repo/${P}.tar.gz" + KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +fi + +LICENSE="GPL-2+" +SLOT="0" +IUSE="cgal examples python +plugins" +REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" + +# cgal is header-only in version 5.4 and up. We need to use the +# special --enable-cgal-header-only argument to use these versions. +DEPEND=" + cgal? ( >=sci-mathematics/cgal-5.4:=[shared(+)] ) + plugins? ( sci-physics/siscone:= ) + python? ( ${PYTHON_DEPS} ) +" +RDEPEND="${DEPEND}" +BDEPEND="app-shells/bash" + +PATCHES=( + "${FILESDIR}"/${PN}-3.4.0-system-siscone.patch + "${FILESDIR}"/${PN}-3.4.0-gfortran.patch +) + +pkg_setup() { + use python && python-single-r1_pkg_setup +} + +src_prepare() { + default + eautoreconf +} + +src_configure() { + use cgal && \ + has_version 'sci-mathematics/cgal[gmp]' && append-libs -lgmp + # only bash compatible + sed -i 's#/bin/sh#/bin/bash#g' ./configure || die + econf \ + $(use_enable cgal cgal-header-only) \ + $(use_enable plugins allplugins) \ + $(use_enable plugins allcxxplugins) \ + --enable-shared \ + --enable-static=no \ + --disable-static \ + --disable-auto-ptr \ + $(use_enable python pyext) +} + +src_compile() { + default + docs_compile +} + +src_install() { + default + use python && python_optimize + if use examples; then + emake -C example maintainer-clean + find example -iname 'makefile*' -delete || die + + docinto examples + dodoc -r example/. + docompress -x /usr/share/doc/${PF}/examples + fi + find "${ED}" -name '*.la' -delete || die +} diff --git a/sci-physics/fastjet/metadata.xml b/sci-physics/fastjet/metadata.xml index 8a82eeb2f12f..8e41b6b197d7 100644 --- a/sci-physics/fastjet/metadata.xml +++ b/sci-physics/fastjet/metadata.xml @@ -18,4 +18,7 @@ Use sci-mathematics/cgal instead of bundled algorithms + + fastjet/fastjet + diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest index 04beb02272d0..92c0a1f8ae88 100644 --- a/sci-physics/lammps/Manifest +++ b/sci-physics/lammps/Manifest @@ -1,11 +1,7 @@ -DIST lammps-17Feb2022.tar.gz 170036241 BLAKE2B 74d370657bff17847dce0bbe082134721722574b298832ea37d319968123b12d37ecdfea5560b2776e846c32d05a98f722710327d8da46f80869f75a36f6c255 SHA512 f2df65847906ca5890aae98efed5712eb6dd694f2b85dc062084a02b9bf43412ecd075f54df2947bff71d3b6313c1ec39c437e02497920da795e9ba0cd5dc068 -DIST lammps-23Jun2022.tar.gz 181439760 BLAKE2B b8012417257527820a4f37dbd300d3f949e3768fc7ae669c49bc7ea0cdc30b28512cb3ee25d375394184bbf1371763da6c3556b2d600f060b754816c589197bf SHA512 e882cb8a83a90b17471cd5c79b2b724378a28642b82511c695a36c0d9a0feb63681b29171c5bfb0bcb218ea3a1a5e4f00fdb8e6ce5f0fc8aed1fa83680cd3a34 -DIST lammps-28Mar2023.tar.gz 187946133 BLAKE2B 87f8ffaefd9a5b4cb7a286157d6c7808d899bf738b42a1e82af257fdafa2cf6ed2ce216d0534fb762882130efea9a5f2566ca5282fb7ef95f028d2839be59eaa SHA512 2999d8311ff83612a0da82e2453e8b25dcb2af56005382725b6fd5ed9e7f61e9ae506d04cc3c587ce75f1e2346e7f2ec05eada6351dad7abee1bc25161851682 DIST lammps-2Aug2023.tar.gz 193279161 BLAKE2B 15816514984a307055e6f42ca741b14a9cabe8839ce266086e9a286bf89a868b2d795846a0a191549013f8f2c403a590ec1231633bf4e161f82d3d83d9fa700e SHA512 5e915f61d29f73de9edca05f371a6ca4449564ab48dfb64c212a417a2200b1738e7f44145db44d794bb480116e8f57c658612d54a3c9f759eb9947d3de5d4c35 -EBUILD lammps-20220217-r1.ebuild 3362 BLAKE2B d08fd17d538e328e94be8b1587e4d590880d828e78341b300948205bca7197e75d3baa5a9228b5766be6565089648913fe67dcae6b769bf4efebadabf0c10cce SHA512 8f80ea76371e49ed52ca561ad01cfc7a912108bd7c8fd99275bc84219bbcb6a9dd870ce4fa78cb8ebc6f0c431591d48cecdb728c0165da867a44907a5cf6bac5 -EBUILD lammps-20220217.ebuild 3302 BLAKE2B 9d150c28215f36022c5a094c54062b6eb2a7cdabfc1047cbd504ce5de9d5109cc55f2a7c44d973fb21817329061b5036c28f812dfa4ea442263d9a5a3bead137 SHA512 5613165d1ee6be3c39305163882f457cbda531276a9a32fbc8619608750cc913af88d2aa2c0575335f1d2248bf09131e53ca2c61b3dc81935a4068224527121c -EBUILD lammps-20220623.ebuild 3362 BLAKE2B d08fd17d538e328e94be8b1587e4d590880d828e78341b300948205bca7197e75d3baa5a9228b5766be6565089648913fe67dcae6b769bf4efebadabf0c10cce SHA512 8f80ea76371e49ed52ca561ad01cfc7a912108bd7c8fd99275bc84219bbcb6a9dd870ce4fa78cb8ebc6f0c431591d48cecdb728c0165da867a44907a5cf6bac5 -EBUILD lammps-20230328.ebuild 3362 BLAKE2B d08fd17d538e328e94be8b1587e4d590880d828e78341b300948205bca7197e75d3baa5a9228b5766be6565089648913fe67dcae6b769bf4efebadabf0c10cce SHA512 8f80ea76371e49ed52ca561ad01cfc7a912108bd7c8fd99275bc84219bbcb6a9dd870ce4fa78cb8ebc6f0c431591d48cecdb728c0165da867a44907a5cf6bac5 +DIST lammps-gtest-1.12.1.tar.gz 854944 BLAKE2B 7b121fb95bb19efec1387a83da2201a139197225f79f7649ceac04695ff06fc4148319ae928d79ced413a9cfd42e68b56bfda1ee6bfdbf07fdd22795e9974388 SHA512 a9104dc6c53747e36e7dd7bb93dfce51a558bd31b487a9ef08def095518e1296da140e0db263e0644d9055dbd903c0cb69380cb2322941dbfb04780ef247df9c +DIST stable_29Aug2024.tar.gz 141582660 BLAKE2B a90233840ff2cb98dd28851137f84820bfa3618488e46f9f304aaa9c2425f40750771b15677ed07b3606eb78b50c8beb26c3933ff71c48c0c2911ca3743647d6 SHA512 c6755da36d78d1f8e13db4c1f473db2c15d062ed79b15e110031b6501388a67f47d62d71fe367a111f7dd6cb58c7d6e358eed7e69589e06f735039ee794f4618 EBUILD lammps-20230802-r1.ebuild 3664 BLAKE2B d19739e7d46cce856f01ac3a16818517265be5295d215b6d58644e095ea5f8def1555b9b8fddd64ed96d159e1a143e50c0e69a4949179641379e5a2eb712472c SHA512 95a3b221101b4c78d3e69b040272a0ffa03ed6f3a38d77e95fb491fe7834990feb06a0bc3ba8038a3f9c30fe75c78177ef335c4598bbe1a3f484fa9572361461 EBUILD lammps-20230802.ebuild 3362 BLAKE2B 26876d3763803a7458a5cb9ade61b756b2b899359dc36c576adcf24acf0c5fcc0dd6c239af74c2890cd1c8860915e5e5f2cacc6b4e23f081695e6f3043f6086e SHA512 1c7d263f1b6d2f9ff420435bc6dc2d2ebaaf711cd2dd7ceae10f87ec7cd8114e1f642f0d1e6c49c1c07e418a49c2b3f397c3331d637735fc08393defc23bbbfc +EBUILD lammps-20240829.ebuild 4030 BLAKE2B b844129dc35642607364571ea5f2e086835775c5bc06f8b1fc5eaeb2ace7462fc4ea69974acd1a2e097a912b4193ec9f622a32863e580d99190d246317ea1657 SHA512 0528b3c6eabe9cf3b6b8b43bc4bbfffeeb395683fb2e5782d07207bf9e378dd587914cee1490008b01bf8e58ef504c9fe20da8f815b34582265970acc208c9e1 MISC metadata.xml 1569 BLAKE2B e4da01462a560168366d1c874a2dc994479d9911594167f82b498b9bc9e350b5e13e8f402262ee9c3abda6ccf77fa486ae1449db8b0f39c83c96f379b38ab6e1 SHA512 6820e92996b9db62ed03ea86fd70c95bc6609c04a9fef47bccc6a5c8de58ab342a03a1d0dd537af1762343dd8ce603f42618d6b5ff973d459feb816b1238e27a diff --git a/sci-physics/lammps/lammps-20220217-r1.ebuild b/sci-physics/lammps/lammps-20220217-r1.ebuild deleted file mode 100644 index 15f4355d109d..000000000000 --- a/sci-physics/lammps/lammps-20220217-r1.ebuild +++ /dev/null @@ -1,166 +0,0 @@ -# Copyright 1999-2023 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=8 - -PYTHON_COMPAT=( python3_{9..11} ) -DISTUTILS_OPTIONAL=1 -DISTUTILS_USE_PEP517=setuptools -CMAKE_MAKEFILE_GENERATOR=emake -# Doc building insists on fetching mathjax -# DOCS_BUILDER="doxygen" -# DOCS_DEPEND=" -# media-gfx/graphviz -# dev-libs/mathjax -# " - -inherit cmake fortran-2 distutils-r1 # docs - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}" -MY_P="${PN}-${MY_PV}" - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz" -S="${WORKDIR}/${MY_P}/cmake" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="amd64 ~x86" -IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test" -# Requires write access to /dev/dri/renderD... -RESTRICT="test" - -RDEPEND=" - app-arch/gzip - media-libs/libpng:0 - sys-libs/zlib - mpi? ( - virtual/mpi - sci-libs/hdf5:=[mpi] - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - virtual/blas - virtual/lapack - sci-libs/fftw:3.0= - sci-libs/netcdf:= - cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) - opencl? ( virtual/opencl ) - hip? ( dev-util/hip:= ) - dev-cpp/eigen:3 - " - # Kokkos-3.5 not in tree atm - # kokkos? ( dev-cpp/kokkos-3.5.* ) -BDEPEND="${DISTUTILS_DEPS}" -DEPEND="${RDEPEND} - test? ( - dev-cpp/gtest - ) -" - -REQUIRED_USE=" - python? ( ${PYTHON_REQUIRED_USE} ) - ?? ( cuda opencl hip ) -" - -src_prepare() { - cmake_src_prepare - if use python; then - pushd ../python || die - distutils-r1_src_prepare - popd - fi -} - -src_configure() { - local mycmakeargs=( - -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc" - -DBUILD_SHARED_LIBS=ON - -DBUILD_MPI=$(usex mpi) - -DBUILD_DOC=OFF - #-DBUILD_DOC=$(usex doc) - -DENABLE_TESTING=$(usex test) - -DPKG_ASPHERE=ON - -DPKG_BODY=ON - -DPKG_CLASS2=ON - -DPKG_COLLOID=ON - -DPKG_COMPRESS=ON - -DPKG_CORESHELL=ON - -DPKG_DIPOLE=ON - -DPKG_GRANULAR=ON - -DPKG_KSPACE=ON - -DFFT=FFTW3 - -DPKG_KOKKOS=OFF - #-DPKG_KOKKOS=$(usex kokkos) - #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON) - -DPKG_MANYBODY=ON - -DPKG_MC=ON - -DPKG_MEAM=ON - -DPKG_MISC=ON - -DPKG_MOLECULE=ON - -DPKG_PERI=ON - -DPKG_QEQ=ON - -DPKG_REPLICA=ON - -DPKG_RIGID=ON - -DPKG_SHOCK=ON - -DPKG_SRD=ON - -DPKG_PYTHON=$(usex python) - -DPKG_MPIIO=$(usex mpi) - -DPKG_VORONOI=ON - ) - if use cuda || use opencl || use hip; then - mycmakeargs+=( -DPKG_GPU=ON ) - use cuda && mycmakeargs+=( -DGPU_API=cuda ) - use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF ) - use hip && mycmakeargs+=( -DGPU_API=hip ) - else - mycmakeargs+=( -DPKG_GPU=OFF ) - fi - cmake_src_configure - if use python; then - pushd ../python || die - distutils-r1_src_configure - popd - fi -} - -src_compile() { - cmake_src_compile - if use python; then - pushd ../python || die - distutils-r1_src_compile - popd - fi -} - -src_test() { - cmake_src_test - if use python; then - pushd ../python || die - distutils-r1_src_test - popd - fi -} - -src_install() { - cmake_src_install - if use python; then - pushd ../python || die - distutils-r1_src_install - popd - fi - - if use examples; then - for d in examples bench; do - local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}" - insinto "${LAMMPS_EXAMPLES}" - doins -r "${S}"/../${d}/* - done - fi -} diff --git a/sci-physics/lammps/lammps-20220217.ebuild b/sci-physics/lammps/lammps-20220217.ebuild deleted file mode 100644 index dafbca2ebb94..000000000000 --- a/sci-physics/lammps/lammps-20220217.ebuild +++ /dev/null @@ -1,164 +0,0 @@ -# Copyright 1999-2023 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=8 - -PYTHON_COMPAT=( python3_{8..10} ) -DISTUTILS_OPTIONAL=1 -CMAKE_MAKEFILE_GENERATOR=emake -# Doc building insists on fetching mathjax -# DOCS_BUILDER="doxygen" -# DOCS_DEPEND=" -# media-gfx/graphviz -# dev-libs/mathjax -# " - -inherit cmake fortran-2 distutils-r1 # docs - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}" -MY_P="${PN}-${MY_PV}" - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz" -S="${WORKDIR}/${MY_P}/cmake" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="amd64 ~x86" -IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test" -# Requires write access to /dev/dri/renderD... -RESTRICT="test" - -RDEPEND=" - app-arch/gzip - media-libs/libpng:0 - sys-libs/zlib - mpi? ( - virtual/mpi - sci-libs/hdf5:=[mpi] - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - virtual/blas - virtual/lapack - sci-libs/fftw:3.0= - sci-libs/netcdf:= - cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) - opencl? ( virtual/opencl ) - hip? ( dev-util/hip:= ) - dev-cpp/eigen:3 - " - # Kokkos-3.5 not in tree atm - # kokkos? ( dev-cpp/kokkos-3.5.* ) -DEPEND="${RDEPEND} - test? ( - dev-cpp/gtest - ) -" - -REQUIRED_USE=" - python? ( ${PYTHON_REQUIRED_USE} ) - ?? ( cuda opencl hip ) -" - -src_prepare() { - cmake_src_prepare - if use python; then - pushd ../python || die - distutils-r1_src_prepare - popd - fi -} - -src_configure() { - local mycmakeargs=( - -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc" - -DBUILD_SHARED_LIBS=ON - -DBUILD_MPI=$(usex mpi) - -DBUILD_DOC=OFF - #-DBUILD_DOC=$(usex doc) - -DENABLE_TESTING=$(usex test) - -DPKG_ASPHERE=ON - -DPKG_BODY=ON - -DPKG_CLASS2=ON - -DPKG_COLLOID=ON - -DPKG_COMPRESS=ON - -DPKG_CORESHELL=ON - -DPKG_DIPOLE=ON - -DPKG_GRANULAR=ON - -DPKG_KSPACE=ON - -DFFT=FFTW3 - -DPKG_KOKKOS=OFF - #-DPKG_KOKKOS=$(usex kokkos) - #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON) - -DPKG_MANYBODY=ON - -DPKG_MC=ON - -DPKG_MEAM=ON - -DPKG_MISC=ON - -DPKG_MOLECULE=ON - -DPKG_PERI=ON - -DPKG_QEQ=ON - -DPKG_REPLICA=ON - -DPKG_RIGID=ON - -DPKG_SHOCK=ON - -DPKG_SRD=ON - -DPKG_PYTHON=$(usex python) - -DPKG_MPIIO=$(usex mpi) - -DPKG_VORONOI=ON - ) - if use cuda || use opencl || use hip; then - mycmakeargs+=( -DPKG_GPU=ON ) - use cuda && mycmakeargs+=( -DGPU_API=cuda ) - use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF ) - use hip && mycmakeargs+=( -DGPU_API=hip ) - else - mycmakeargs+=( -DPKG_GPU=OFF ) - fi - cmake_src_configure - if use python; then - pushd ../python || die - distutils-r1_src_configure - popd - fi -} - -src_compile() { - cmake_src_compile - if use python; then - pushd ../python || die - distutils-r1_src_compile - popd - fi -} - -src_test() { - cmake_src_test - if use python; then - pushd ../python || die - distutils-r1_src_test - popd - fi -} - -src_install() { - cmake_src_install - if use python; then - pushd ../python || die - distutils-r1_src_install - popd - fi - - if use examples; then - for d in examples bench; do - local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}" - insinto "${LAMMPS_EXAMPLES}" - doins -r "${S}"/../${d}/* - done - fi -} diff --git a/sci-physics/lammps/lammps-20220623.ebuild b/sci-physics/lammps/lammps-20220623.ebuild deleted file mode 100644 index 15f4355d109d..000000000000 --- a/sci-physics/lammps/lammps-20220623.ebuild +++ /dev/null @@ -1,166 +0,0 @@ -# Copyright 1999-2023 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=8 - -PYTHON_COMPAT=( python3_{9..11} ) -DISTUTILS_OPTIONAL=1 -DISTUTILS_USE_PEP517=setuptools -CMAKE_MAKEFILE_GENERATOR=emake -# Doc building insists on fetching mathjax -# DOCS_BUILDER="doxygen" -# DOCS_DEPEND=" -# media-gfx/graphviz -# dev-libs/mathjax -# " - -inherit cmake fortran-2 distutils-r1 # docs - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}" -MY_P="${PN}-${MY_PV}" - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz" -S="${WORKDIR}/${MY_P}/cmake" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="amd64 ~x86" -IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test" -# Requires write access to /dev/dri/renderD... -RESTRICT="test" - -RDEPEND=" - app-arch/gzip - media-libs/libpng:0 - sys-libs/zlib - mpi? ( - virtual/mpi - sci-libs/hdf5:=[mpi] - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - virtual/blas - virtual/lapack - sci-libs/fftw:3.0= - sci-libs/netcdf:= - cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) - opencl? ( virtual/opencl ) - hip? ( dev-util/hip:= ) - dev-cpp/eigen:3 - " - # Kokkos-3.5 not in tree atm - # kokkos? ( dev-cpp/kokkos-3.5.* ) -BDEPEND="${DISTUTILS_DEPS}" -DEPEND="${RDEPEND} - test? ( - dev-cpp/gtest - ) -" - -REQUIRED_USE=" - python? ( ${PYTHON_REQUIRED_USE} ) - ?? ( cuda opencl hip ) -" - -src_prepare() { - cmake_src_prepare - if use python; then - pushd ../python || die - distutils-r1_src_prepare - popd - fi -} - -src_configure() { - local mycmakeargs=( - -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc" - -DBUILD_SHARED_LIBS=ON - -DBUILD_MPI=$(usex mpi) - -DBUILD_DOC=OFF - #-DBUILD_DOC=$(usex doc) - -DENABLE_TESTING=$(usex test) - -DPKG_ASPHERE=ON - -DPKG_BODY=ON - -DPKG_CLASS2=ON - -DPKG_COLLOID=ON - -DPKG_COMPRESS=ON - -DPKG_CORESHELL=ON - -DPKG_DIPOLE=ON - -DPKG_GRANULAR=ON - -DPKG_KSPACE=ON - -DFFT=FFTW3 - -DPKG_KOKKOS=OFF - #-DPKG_KOKKOS=$(usex kokkos) - #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON) - -DPKG_MANYBODY=ON - -DPKG_MC=ON - -DPKG_MEAM=ON - -DPKG_MISC=ON - -DPKG_MOLECULE=ON - -DPKG_PERI=ON - -DPKG_QEQ=ON - -DPKG_REPLICA=ON - -DPKG_RIGID=ON - -DPKG_SHOCK=ON - -DPKG_SRD=ON - -DPKG_PYTHON=$(usex python) - -DPKG_MPIIO=$(usex mpi) - -DPKG_VORONOI=ON - ) - if use cuda || use opencl || use hip; then - mycmakeargs+=( -DPKG_GPU=ON ) - use cuda && mycmakeargs+=( -DGPU_API=cuda ) - use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF ) - use hip && mycmakeargs+=( -DGPU_API=hip ) - else - mycmakeargs+=( -DPKG_GPU=OFF ) - fi - cmake_src_configure - if use python; then - pushd ../python || die - distutils-r1_src_configure - popd - fi -} - -src_compile() { - cmake_src_compile - if use python; then - pushd ../python || die - distutils-r1_src_compile - popd - fi -} - -src_test() { - cmake_src_test - if use python; then - pushd ../python || die - distutils-r1_src_test - popd - fi -} - -src_install() { - cmake_src_install - if use python; then - pushd ../python || die - distutils-r1_src_install - popd - fi - - if use examples; then - for d in examples bench; do - local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}" - insinto "${LAMMPS_EXAMPLES}" - doins -r "${S}"/../${d}/* - done - fi -} diff --git a/sci-physics/lammps/lammps-20230328.ebuild b/sci-physics/lammps/lammps-20230328.ebuild deleted file mode 100644 index 15f4355d109d..000000000000 --- a/sci-physics/lammps/lammps-20230328.ebuild +++ /dev/null @@ -1,166 +0,0 @@ -# Copyright 1999-2023 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=8 - -PYTHON_COMPAT=( python3_{9..11} ) -DISTUTILS_OPTIONAL=1 -DISTUTILS_USE_PEP517=setuptools -CMAKE_MAKEFILE_GENERATOR=emake -# Doc building insists on fetching mathjax -# DOCS_BUILDER="doxygen" -# DOCS_DEPEND=" -# media-gfx/graphviz -# dev-libs/mathjax -# " - -inherit cmake fortran-2 distutils-r1 # docs - -convert_month() { - local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) - echo ${months[${1#0}]} -} - -MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}" -MY_P="${PN}-${MY_PV}" - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="https://lammps.sandia.gov/" -SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz" -S="${WORKDIR}/${MY_P}/cmake" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="amd64 ~x86" -IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test" -# Requires write access to /dev/dri/renderD... -RESTRICT="test" - -RDEPEND=" - app-arch/gzip - media-libs/libpng:0 - sys-libs/zlib - mpi? ( - virtual/mpi - sci-libs/hdf5:=[mpi] - ) - python? ( ${PYTHON_DEPS} ) - sci-libs/voro++ - virtual/blas - virtual/lapack - sci-libs/fftw:3.0= - sci-libs/netcdf:= - cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) - opencl? ( virtual/opencl ) - hip? ( dev-util/hip:= ) - dev-cpp/eigen:3 - " - # Kokkos-3.5 not in tree atm - # kokkos? ( dev-cpp/kokkos-3.5.* ) -BDEPEND="${DISTUTILS_DEPS}" -DEPEND="${RDEPEND} - test? ( - dev-cpp/gtest - ) -" - -REQUIRED_USE=" - python? ( ${PYTHON_REQUIRED_USE} ) - ?? ( cuda opencl hip ) -" - -src_prepare() { - cmake_src_prepare - if use python; then - pushd ../python || die - distutils-r1_src_prepare - popd - fi -} - -src_configure() { - local mycmakeargs=( - -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc" - -DBUILD_SHARED_LIBS=ON - -DBUILD_MPI=$(usex mpi) - -DBUILD_DOC=OFF - #-DBUILD_DOC=$(usex doc) - -DENABLE_TESTING=$(usex test) - -DPKG_ASPHERE=ON - -DPKG_BODY=ON - -DPKG_CLASS2=ON - -DPKG_COLLOID=ON - -DPKG_COMPRESS=ON - -DPKG_CORESHELL=ON - -DPKG_DIPOLE=ON - -DPKG_GRANULAR=ON - -DPKG_KSPACE=ON - -DFFT=FFTW3 - -DPKG_KOKKOS=OFF - #-DPKG_KOKKOS=$(usex kokkos) - #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON) - -DPKG_MANYBODY=ON - -DPKG_MC=ON - -DPKG_MEAM=ON - -DPKG_MISC=ON - -DPKG_MOLECULE=ON - -DPKG_PERI=ON - -DPKG_QEQ=ON - -DPKG_REPLICA=ON - -DPKG_RIGID=ON - -DPKG_SHOCK=ON - -DPKG_SRD=ON - -DPKG_PYTHON=$(usex python) - -DPKG_MPIIO=$(usex mpi) - -DPKG_VORONOI=ON - ) - if use cuda || use opencl || use hip; then - mycmakeargs+=( -DPKG_GPU=ON ) - use cuda && mycmakeargs+=( -DGPU_API=cuda ) - use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF ) - use hip && mycmakeargs+=( -DGPU_API=hip ) - else - mycmakeargs+=( -DPKG_GPU=OFF ) - fi - cmake_src_configure - if use python; then - pushd ../python || die - distutils-r1_src_configure - popd - fi -} - -src_compile() { - cmake_src_compile - if use python; then - pushd ../python || die - distutils-r1_src_compile - popd - fi -} - -src_test() { - cmake_src_test - if use python; then - pushd ../python || die - distutils-r1_src_test - popd - fi -} - -src_install() { - cmake_src_install - if use python; then - pushd ../python || die - distutils-r1_src_install - popd - fi - - if use examples; then - for d in examples bench; do - local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}" - insinto "${LAMMPS_EXAMPLES}" - doins -r "${S}"/../${d}/* - done - fi -} diff --git a/sci-physics/lammps/lammps-20240829.ebuild b/sci-physics/lammps/lammps-20240829.ebuild new file mode 100644 index 000000000000..7d4d92c21ff8 --- /dev/null +++ b/sci-physics/lammps/lammps-20240829.ebuild @@ -0,0 +1,190 @@ +# Copyright 1999-2024 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +PYTHON_COMPAT=( python3_{10..12} ) +DISTUTILS_OPTIONAL=1 +DISTUTILS_USE_PEP517=setuptools +CMAKE_MAKEFILE_GENERATOR=emake +# Doc building insists on fetching mathjax +# DOCS_BUILDER="doxygen" +# DOCS_DEPEND=" +# media-gfx/graphviz +# dev-libs/mathjax +# " + +inherit cmake fortran-2 distutils-r1 # docs + +convert_month() { + local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec ) + echo ${months[${1#0}]} +} + +MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}" +MY_P="${PN}-stable_${MY_PV}" + +DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" +HOMEPAGE="https://www.lammps.org" +SRC_URI=" + https://github.com/lammps/lammps/archive/refs/tags/stable_${MY_PV}.tar.gz + test? ( + https://github.com/google/googletest/archive/release-1.12.1.tar.gz -> ${PN}-gtest-1.12.1.tar.gz + ) +" +S="${WORKDIR}/${MY_P}/cmake" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="cuda examples extra gzip hip lammps-memalign mpi opencl openmp python test" +# Requires write access to /dev/dri/renderD... +RESTRICT="test" + +RDEPEND=" + app-arch/gzip + media-libs/libpng:0 + sys-libs/zlib + mpi? ( + virtual/mpi + sci-libs/hdf5:=[mpi] + ) + python? ( ${PYTHON_DEPS} ) + sci-libs/voro++ + virtual/blas + virtual/lapack + sci-libs/fftw:3.0= + sci-libs/netcdf:= + cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) + opencl? ( virtual/opencl ) + hip? ( + dev-util/hip:= + sci-libs/hipCUB:= + ) + dev-cpp/eigen:3 + " + # Kokkos-3.5 not in tree atm + # kokkos? ( dev-cpp/kokkos-3.5.* ) +BDEPEND="${DISTUTILS_DEPS}" +DEPEND="${RDEPEND} + test? ( + dev-cpp/gtest + dev-libs/libyaml + ) +" + +REQUIRED_USE=" + python? ( ${PYTHON_REQUIRED_USE} ) + ?? ( cuda opencl hip ) +" + +src_prepare() { + cmake_src_prepare + if use python; then + pushd ../python || die + distutils-r1_src_prepare + popd || die + fi + if use test; then + mkdir "${BUILD_DIR}/_deps" + cp "${DISTDIR}/${PN}-gtest-1.12.1.tar.gz" "${BUILD_DIR}/_deps/release-1.12.1.tar.gz" + fi +} + +src_configure() { + local mycmakeargs=( + -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc" + -DBUILD_SHARED_LIBS=ON + -DBUILD_MPI=$(usex mpi) + -DBUILD_DOC=OFF + #-DBUILD_DOC=$(usex doc) + -DENABLE_TESTING=$(usex test) + -DPKG_ASPHERE=ON + -DPKG_BODY=ON + -DPKG_CLASS2=ON + -DPKG_COLLOID=ON + -DPKG_COMPRESS=ON + -DPKG_CORESHELL=ON + -DPKG_DIPOLE=ON + -DPKG_EXTRA-COMPUTE=$(usex extra) + -DPKG_EXTRA-DUMP=$(usex extra) + -DPKG_EXTRA-FIX=$(usex extra) + -DPKG_EXTRA-MOLECULE=$(usex extra) + -DPKG_EXTRA-PAIR=$(usex extra) + -DPKG_GRANULAR=ON + -DPKG_KSPACE=ON + -DFFT=FFTW3 + -DPKG_KOKKOS=OFF + #-DPKG_KOKKOS=$(usex kokkos) + #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON) + -DPKG_MANYBODY=ON + -DPKG_MC=ON + -DPKG_MEAM=ON + -DPKG_MISC=ON + -DPKG_MOLECULE=ON + -DPKG_OPENMP=$(usex openmp) + -DPKG_PERI=ON + -DPKG_QEQ=ON + -DPKG_REPLICA=ON + -DPKG_RIGID=ON + -DPKG_SHOCK=ON + -DPKG_SRD=ON + -DPKG_PYTHON=$(usex python) + -DPKG_MPIIO=$(usex mpi) + -DPKG_VORONOI=ON + ) + if use cuda || use opencl || use hip; then + mycmakeargs+=( -DPKG_GPU=ON ) + use cuda && mycmakeargs+=( -DGPU_API=cuda ) + use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF ) + use hip && mycmakeargs+=( -DGPU_API=hip -DHIP_PATH="${EPREFIX}/usr" ) + else + mycmakeargs+=( -DPKG_GPU=OFF ) + fi + cmake_src_configure + if use python; then + pushd ../python || die + distutils-r1_src_configure + popd || die + fi +} + +src_compile() { + cmake_src_compile + if use python; then + pushd ../python || die + distutils-r1_src_compile + popd || die + fi +} + +src_test() { + cmake_src_test + if use python; then + pushd ../python || die + distutils-r1_src_test + popd || die + fi +} + +src_install() { + cmake_src_install + + if use opencl; then + dobin "${BUILD_DIR}/ocl_get_devices" + fi + + if use python; then + pushd ../python || die + distutils-r1_src_install + popd || die + fi + + if use examples; then + for d in examples bench; do + local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}" + insinto "${LAMMPS_EXAMPLES}" + doins -r "${S}"/../${d}/* + done + fi +} -- cgit v1.2.3