git: 482101080e15 - main - science/lammps: Update patch_15Jun2023 → stable_2Aug2023

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From: Yuri Victorovich <yuri_at_FreeBSD.org>
Date: Thu, 03 Aug 2023 18:54:52 UTC
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