Date: Thu, 3 Aug 2023 18:54:52 GMT From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: 482101080e15 - main - =?utf-8?Q?science/lammps:=20Update=20patch_15Jun2023=20=E2=86=92=20stable_2Aug2023?= Message-ID: <202308031854.373IsqSM070753@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=482101080e15132406fb264162ded9fec983382c commit 482101080e15132406fb264162ded9fec983382c Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2023-08-03 14:33:27 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2023-08-03 18:54:50 +0000 science/lammps: Update patch_15Jun2023 → stable_2Aug2023 Also: * add tests * correct PORTVERSION: add leading zero to the day --- science/lammps/Makefile | 8 ++-- science/lammps/distinfo | 6 +-- science/lammps/pkg-plist | 112 +++++++++++++++++++++++++++++++++++++++++++++++ 3 files changed, 119 insertions(+), 7 deletions(-) diff --git a/science/lammps/Makefile b/science/lammps/Makefile index 62b860fa46e8..6900d10f028e 100644 --- a/science/lammps/Makefile +++ b/science/lammps/Makefile @@ -1,6 +1,5 @@ PORTNAME= lammps -PORTVERSION= ${GH_TAGNAME:C/(stable|patch)_([0-9]{1,2})([A-Z][a-z][a-z])([0-9]{4})/\4.\3.\2/S/Jan/01/S/Feb/02/S/Mar/03/S/Apr/04/S/May/05/S/Jun/06/S/Jul/07/S/Aug/08/S/Sep/09/S/Oct/10/S/Nov/11/S/Dec/12/S/_update/./} -PORTREVISION= 1 +PORTVERSION= ${GH_TAGNAME:C/(stable|patch)_([0-9]{1,2})([A-Z][a-z][a-z])([0-9]{4})/\4.\3.\2/S/Jan/01/S/Feb/02/S/Mar/03/S/Apr/04/S/May/05/S/Jun/06/S/Jul/07/S/Aug/08/S/Sep/09/S/Oct/10/S/Nov/11/S/Dec/12/S/_update/./:C/\.([1-9])$/.0\1/} CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -20,13 +19,13 @@ LIB_DEPENDS= libevent.so:devel/libevent \ libssh2.so:security/libssh2 \ libzstd.so:archivers/zstd -USES= blaslapack:openblas cmake:noninja compiler:c++14-lang eigen:3 fortran gnome localbase:ldflags python shebangfix +USES= blaslapack:openblas cmake:noninja,testing compiler:c++14-lang eigen:3 fortran gnome localbase:ldflags python shebangfix USE_GNOME= libxml2 USE_LDCONFIG= yes USE_PYTHON= cython USE_GITHUB= yes -GH_TAGNAME= patch_15Jun2023 +GH_TAGNAME= stable_2Aug2023 SHEBANG_GLOB= *.sh *.bash SHEBANG_FILES= lib/kokkos/bin/nvcc_wrapper @@ -36,6 +35,7 @@ CMAKE_SOURCE_PATH= ${WRKSRC}/cmake CMAKE_ARGS= -DBLA_VENDOR:STRING="OpenBLAS" ${CMAKE_ARGS_${CHOSEN_COMPILER_TYPE}} \ -DPython_EXECUTABLE=${PYTHON_CMD} CMAKE_ARGS_gcc= -DBUILD_OMP:BOOL=false +CMAKE_TESTING_ON= ENABLE_TESTING # 3 tests fail, see https://github.com/lammps/lammps/issues/3875 # enable packages (for a complete list see STANDARD_PACKAGES in cmake/CMakeLists.txt) CMAKE_ON+= PKG_ASPHERE PKG_ATC PKG_AWPMD PKG_BOCS PKG_BODY PKG_BROWNIAN PKG_CG-DNA PKG_CG-SDK PKG_CLASS2 diff --git a/science/lammps/distinfo b/science/lammps/distinfo index f0faf21c66f1..4a2e6c5c6394 100644 --- a/science/lammps/distinfo +++ b/science/lammps/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1689544945 -SHA256 (lammps-lammps-2023.06.15-patch_15Jun2023_GH0.tar.gz) = 8470ed7b26ccd3728f4b44a7f1c520f1af23a648af685fd30b42b840fdfae2ff -SIZE (lammps-lammps-2023.06.15-patch_15Jun2023_GH0.tar.gz) = 128943206 +TIMESTAMP = 1691086516 +SHA256 (lammps-lammps-2023.08.02-stable_2Aug2023_GH0.tar.gz) = 48dc8b0b0583689e80ea2052275acbc3e3fce89707ac557e120db5564257f7df +SIZE (lammps-lammps-2023.08.02-stable_2Aug2023_GH0.tar.gz) = 131412313 diff --git a/science/lammps/pkg-plist b/science/lammps/pkg-plist index 3b1ab5efcf8c..315572484b7d 100644 --- a/science/lammps/pkg-plist +++ b/science/lammps/pkg-plist @@ -48,6 +48,118 @@ lib/cmake/LAMMPS/LAMMPS_Targets.cmake lib/liblammps.so lib/liblammps.so.0 libdata/pkgconfig/liblammps.pc +%%DATADIR%%/bench/Cu_u3.eam +%%DATADIR%%/bench/POTENTIALS/CH.airebo +%%DATADIR%%/bench/POTENTIALS/CH.rebo +%%DATADIR%%/bench/POTENTIALS/CdTe.bop.table +%%DATADIR%%/bench/POTENTIALS/Cu_u3.eam +%%DATADIR%%/bench/POTENTIALS/Ni.adp +%%DATADIR%%/bench/POTENTIALS/Ni.meam +%%DATADIR%%/bench/POTENTIALS/README +%%DATADIR%%/bench/POTENTIALS/Si.sw +%%DATADIR%%/bench/POTENTIALS/Si.tersoff +%%DATADIR%%/bench/POTENTIALS/data.airebo +%%DATADIR%%/bench/POTENTIALS/data.comb +%%DATADIR%%/bench/POTENTIALS/data.eff +%%DATADIR%%/bench/POTENTIALS/data.eim +%%DATADIR%%/bench/POTENTIALS/data.fene +%%DATADIR%%/bench/POTENTIALS/data.gb +%%DATADIR%%/bench/POTENTIALS/data.granular +%%DATADIR%%/bench/POTENTIALS/data.protein +%%DATADIR%%/bench/POTENTIALS/data.reax +%%DATADIR%%/bench/POTENTIALS/data.rebo +%%DATADIR%%/bench/POTENTIALS/data.spce +%%DATADIR%%/bench/POTENTIALS/ffield.comb +%%DATADIR%%/bench/POTENTIALS/ffield.eim +%%DATADIR%%/bench/POTENTIALS/ffield.reax +%%DATADIR%%/bench/POTENTIALS/in.adp +%%DATADIR%%/bench/POTENTIALS/in.airebo +%%DATADIR%%/bench/POTENTIALS/in.bop +%%DATADIR%%/bench/POTENTIALS/in.comb +%%DATADIR%%/bench/POTENTIALS/in.dpd +%%DATADIR%%/bench/POTENTIALS/in.eam +%%DATADIR%%/bench/POTENTIALS/in.eff +%%DATADIR%%/bench/POTENTIALS/in.eim +%%DATADIR%%/bench/POTENTIALS/in.fene +%%DATADIR%%/bench/POTENTIALS/in.gb +%%DATADIR%%/bench/POTENTIALS/in.granular +%%DATADIR%%/bench/POTENTIALS/in.lj +%%DATADIR%%/bench/POTENTIALS/in.meam +%%DATADIR%%/bench/POTENTIALS/in.peri +%%DATADIR%%/bench/POTENTIALS/in.protein +%%DATADIR%%/bench/POTENTIALS/in.reaxc +%%DATADIR%%/bench/POTENTIALS/in.rebo +%%DATADIR%%/bench/POTENTIALS/in.spce +%%DATADIR%%/bench/POTENTIALS/in.sw +%%DATADIR%%/bench/POTENTIALS/in.tersoff +%%DATADIR%%/bench/POTENTIALS/library.meam +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.adp.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.adp.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.airebo.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.airebo.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.bop.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.bop.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.comb.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.comb.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.dpd.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.dpd.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.eam.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.eam.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.eff.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.eff.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.eim.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.eim.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.fene.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.fene.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.gb.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.gb.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.granular.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.granular.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.lj.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.lj.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.meam.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.meam.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.peri.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.peri.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.protein.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.protein.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.reaxc.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.reaxc.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.rebo.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.rebo.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.spce.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.spce.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.sw.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.sw.4 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.tersoff.1 +%%DATADIR%%/bench/POTENTIALS/log.9Oct20.tersoff.4 +%%DATADIR%%/bench/README +%%DATADIR%%/bench/data.chain +%%DATADIR%%/bench/data.chute +%%DATADIR%%/bench/data.rhodo +%%DATADIR%%/bench/in.chain +%%DATADIR%%/bench/in.chain.scaled +%%DATADIR%%/bench/in.chute +%%DATADIR%%/bench/in.chute.scaled +%%DATADIR%%/bench/in.eam +%%DATADIR%%/bench/in.lj +%%DATADIR%%/bench/in.rhodo +%%DATADIR%%/bench/in.rhodo.scaled +%%DATADIR%%/bench/log.6Oct16.chain.fixed.icc.1 +%%DATADIR%%/bench/log.6Oct16.chain.fixed.icc.4 +%%DATADIR%%/bench/log.6Oct16.chain.scaled.icc.4 +%%DATADIR%%/bench/log.6Oct16.chute.fixed.icc.1 +%%DATADIR%%/bench/log.6Oct16.chute.fixed.icc.4 +%%DATADIR%%/bench/log.6Oct16.chute.scaled.icc.4 +%%DATADIR%%/bench/log.6Oct16.eam.fixed.icc.1 +%%DATADIR%%/bench/log.6Oct16.eam.fixed.icc.4 +%%DATADIR%%/bench/log.6Oct16.eam.scaled.icc.4 +%%DATADIR%%/bench/log.6Oct16.lj.fixed.icc.1 +%%DATADIR%%/bench/log.6Oct16.lj.fixed.icc.4 +%%DATADIR%%/bench/log.6Oct16.lj.scaled.icc.4 +%%DATADIR%%/bench/log.6Oct16.rhodo.fixed.icc.1 +%%DATADIR%%/bench/log.6Oct16.rhodo.fixed.icc.4 +%%DATADIR%%/bench/log.6Oct16.rhodo.scaled.icc.4 %%DATADIR%%/potentials/Ag_u3.eam %%DATADIR%%/potentials/AlCu.adp %%DATADIR%%/potentials/AlCu.bop.table
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