Index: head/science/lammps/Makefile =================================================================== --- head/science/lammps/Makefile (revision 512381) +++ head/science/lammps/Makefile (revision 512382) @@ -1,67 +1,67 @@ # $FreeBSD$ 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/} CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= Classical molecular dynamics code with a focus on materials modeling LICENSE= GPLv2 LICENSE_FILE= ${WRKSRC}/LICENSE BROKEN_i386= undefined reference to `__atomic_load' CONFLICTS_BUILD= ga # conflicts with include/error.h, already fixed in the head USES= blaslapack:openblas cmake:noninja eigen:3 fortran localbase:ldflags shebangfix USE_GITHUB= yes -GH_TAGNAME= stable_7Aug2019 +GH_TAGNAME= patch_19Sep2019 SHEBANG_GLOB= *.sh *.bash SHEBANG_FILES= lib/kokkos/bin/nvcc_wrapper CMAKE_SOURCE_PATH= ${WRKSRC}/cmake CMAKE_ARGS= -DBLA_VENDOR:STRING="OpenBLAS" OPTIONS_DEFINE= JPEG PNG GZIP FFMPEG VORONOI LATTE OPTIONS_GROUP= PARALLEL OPTIONS_GROUP_PARALLEL= MPI OPENMP OPTIONS_DEFAULT= MPI OPENMP JPEG PNG GZIP FFMPEG VORONOI LATTE PARALLEL_DESC= Enable parallelizations: MPI_CMAKE_BOOL= BUILD_MPI MPI_LIB_DEPENDS= libmpi.so:net/openmpi OPENMP_USES= localbase OPENMP_CMAKE_BOOL= BUILD_OMP OPENMP_LIB_DEPENDS= libomp.so:devel/openmp FFMPEG_BUILD_DEPENDS= ffmpeg:multimedia/ffmpeg FFMPEG_RUN_DEPENDS= ffmpeg:multimedia/ffmpeg JPEG_CMAKE_BOOL= WITH_JPEG JPEG_USES= jpeg PNG_CMAKE_BOOL= WITH_PNG PNG_LIB_DEPENDS= libpng.so:graphics/png GZIP_CMAKE_BOOL= WITH_GZIP FFMPEG_CMAKE_BOOL= WITH_FFMPEG VORONOI_DESC= Use voro++, Voronoi tessellation package VORONOI_CMAKE_BOOL= PKG_VORONOI VORONOI_LIB_DEPENDS= libvoro++.so:science/voro++ LATTE_DESC= Use LATTE package LATTE_CMAKE_BOOL= PKG_LATTE LATTE_LIB_DEPENDS= liblatte.so:science/latte PORTSCOUT= ignore # due to a special version tagging scheme that this project uses portscout fails to find new versions, watching their GitHub release page instead post-patch: @${REINPLACE_CMD} 's|SHELL = /bin/bash|SHELL = ${LOCALBASE}/bin/bash|' ${WRKSRC}/src/Makefile post-patch-FFMPEG-off: @${REINPLACE_CMD} 's|find_program(FFMPEG_EXECUTABLE|#&|' ${WRKSRC}/cmake/CMakeLists.txt .include Index: head/science/lammps/distinfo =================================================================== --- head/science/lammps/distinfo (revision 512381) +++ head/science/lammps/distinfo (revision 512382) @@ -1,3 +1,3 @@ -TIMESTAMP = 1565227747 -SHA256 (lammps-lammps-2019.08.7-stable_7Aug2019_GH0.tar.gz) = 5380c1689a93d7922e3d65d9c186401d429878bb3cbe9a692580d3470d6a253f -SIZE (lammps-lammps-2019.08.7-stable_7Aug2019_GH0.tar.gz) = 105316393 +TIMESTAMP = 1568942128 +SHA256 (lammps-lammps-2019.09.19-patch_19Sep2019_GH0.tar.gz) = 0f693203afe86bc70c084c55f29330bdeea3e3ad6791f81c727f7a34a7f6caf3 +SIZE (lammps-lammps-2019.09.19-patch_19Sep2019_GH0.tar.gz) = 106148641 Index: head/science/lammps/pkg-plist =================================================================== --- head/science/lammps/pkg-plist (revision 512381) +++ head/science/lammps/pkg-plist (revision 512382) @@ -1,151 +1,154 @@ bin/lmp etc/profile.d/lammps.csh etc/profile.d/lammps.sh man/man1/lmp.1.gz %%DATADIR%%/potentials/Ag_u3.eam %%DATADIR%%/potentials/AlCu.adp %%DATADIR%%/potentials/AlCu.bop.table %%DATADIR%%/potentials/AlCu.eam.alloy %%DATADIR%%/potentials/AlFe_mm.eam.fs %%DATADIR%%/potentials/AlO.eam.alloy %%DATADIR%%/potentials/AlO.streitz %%DATADIR%%/potentials/AlSiMgCuFe.meam %%DATADIR%%/potentials/Al_jnp.eam %%DATADIR%%/potentials/Al_jpc.agni %%DATADIR%%/potentials/Al_mm.eam.fs %%DATADIR%%/potentials/Al_prb.agni %%DATADIR%%/potentials/Al_zhou.eam.alloy %%DATADIR%%/potentials/Au_u3.eam %%DATADIR%%/potentials/BN.extep %%DATADIR%%/potentials/BNC.tersoff %%DATADIR%%/potentials/BNCH-old.ILP %%DATADIR%%/potentials/BNCH.ILP %%DATADIR%%/potentials/C.drip %%DATADIR%%/potentials/C.lcbop %%DATADIR%%/potentials/CC.KC %%DATADIR%%/potentials/CC.KC-full %%DATADIR%%/potentials/CC.Lebedeva %%DATADIR%%/potentials/CCu_v2.bop.table %%DATADIR%%/potentials/CH.KC %%DATADIR%%/potentials/CH.airebo %%DATADIR%%/potentials/CH.airebo-m %%DATADIR%%/potentials/CH.rebo %%DATADIR%%/potentials/CH_taper.KC %%DATADIR%%/potentials/CdTe.bop.table %%DATADIR%%/potentials/CdTe.sw %%DATADIR%%/potentials/CdTeSe.bop.table %%DATADIR%%/potentials/CdTeZnSeHgS0.sw %%DATADIR%%/potentials/CdZnTe_v1.bop.table %%DATADIR%%/potentials/CdZnTe_v2.bop.table %%DATADIR%%/potentials/CoAl.eam.alloy %%DATADIR%%/potentials/Cu.meam %%DATADIR%%/potentials/CuH.bop.table %%DATADIR%%/potentials/CuNi.eam.alloy %%DATADIR%%/potentials/CuTa.eam.alloy %%DATADIR%%/potentials/CuTa_eam.poly %%DATADIR%%/potentials/CuZr_mm.eam.fs %%DATADIR%%/potentials/Cu_mishin1.eam.alloy %%DATADIR%%/potentials/Cu_smf7.eam %%DATADIR%%/potentials/Cu_u3.eam %%DATADIR%%/potentials/Cu_u6.eam %%DATADIR%%/potentials/Cu_zhou.eam.alloy %%DATADIR%%/potentials/FeCr.cdeam %%DATADIR%%/potentials/FeP_mm.eam.fs %%DATADIR%%/potentials/Fe_mm.eam.fs %%DATADIR%%/potentials/GaAs.bop.table %%DATADIR%%/potentials/GaN.sw %%DATADIR%%/potentials/GaN.tersoff %%DATADIR%%/potentials/GaN_sw.poly %%DATADIR%%/potentials/GaN_tersoff.poly %%DATADIR%%/potentials/Ge.tersoff %%DATADIR%%/potentials/He_He_JW2013.table %%DATADIR%%/potentials/InP.vashishta %%DATADIR%%/potentials/MOH.nb3b.harmonic %%DATADIR%%/potentials/Mg_mm.eam.fs %%DATADIR%%/potentials/Mo5.2.mgpt.README %%DATADIR%%/potentials/Mo5.2.mgpt.parmin %%DATADIR%%/potentials/Mo5.2.mgpt.potin %%DATADIR%%/potentials/Mo_Chen_PRM2017.snap %%DATADIR%%/potentials/Mo_Chen_PRM2017.snapcoeff %%DATADIR%%/potentials/Mo_Chen_PRM2017.snapparam %%DATADIR%%/potentials/Ni.adp %%DATADIR%%/potentials/Ni.meam %%DATADIR%%/potentials/NiAlH_jea.eam.alloy %%DATADIR%%/potentials/NiAlH_jea.eam.fs %%DATADIR%%/potentials/Ni_smf7.eam %%DATADIR%%/potentials/Ni_u3.eam %%DATADIR%%/potentials/Pd_u3.eam %%DATADIR%%/potentials/Pt_u3.eam %%DATADIR%%/potentials/README %%DATADIR%%/potentials/README.reax %%DATADIR%%/potentials/Si.b.meam.sw.spline %%DATADIR%%/potentials/Si.edip %%DATADIR%%/potentials/Si.sw %%DATADIR%%/potentials/Si.tersoff %%DATADIR%%/potentials/Si.tersoff.mod %%DATADIR%%/potentials/Si.tersoff.modc %%DATADIR%%/potentials/SiC.edip %%DATADIR%%/potentials/SiC.gw %%DATADIR%%/potentials/SiC.gw.zbl %%DATADIR%%/potentials/SiC.meam %%DATADIR%%/potentials/SiC.tersoff %%DATADIR%%/potentials/SiC.tersoff.zbl %%DATADIR%%/potentials/SiC.vashishta %%DATADIR%%/potentials/SiCGe.tersoff %%DATADIR%%/potentials/SiC_1989.tersoff %%DATADIR%%/potentials/SiC_1990.tersoff %%DATADIR%%/potentials/SiC_1994.tersoff %%DATADIR%%/potentials/SiC_Erhart-Albe.tersoff %%DATADIR%%/potentials/SiO.1990.vashishta %%DATADIR%%/potentials/SiO.1994.vashishta %%DATADIR%%/potentials/SiO.1997.vashishta %%DATADIR%%/potentials/SiO.tersoff %%DATADIR%%/potentials/Si_1.meam.spline %%DATADIR%%/potentials/Si_2.meam.spline %%DATADIR%%/potentials/Ta06A.snap %%DATADIR%%/potentials/Ta06A.snapcoeff %%DATADIR%%/potentials/Ta06A.snapparam %%DATADIR%%/potentials/Ta4.mgpt.README %%DATADIR%%/potentials/Ta4.mgpt.parmin %%DATADIR%%/potentials/Ta4.mgpt.potin %%DATADIR%%/potentials/Ta6.8x.mgpt.README %%DATADIR%%/potentials/Ta6.8x.mgpt.parmin %%DATADIR%%/potentials/Ta6.8x.mgpt.potin %%DATADIR%%/potentials/Ti.meam.spline %%DATADIR%%/potentials/Ti.meam.sw.spline %%DATADIR%%/potentials/TiO.meam.spline %%DATADIR%%/potentials/V6.1.mgpt.README %%DATADIR%%/potentials/V6.1.mgpt.parmin %%DATADIR%%/potentials/V6.1.mgpt.potin %%DATADIR%%/potentials/VFe_mm.eam.fs %%DATADIR%%/potentials/WL.meam %%DATADIR%%/potentials/W_2940_2017_2.snap %%DATADIR%%/potentials/W_2940_2017_2.snapcoeff %%DATADIR%%/potentials/W_2940_2017_2.snapparam %%DATADIR%%/potentials/W_2940_2017_2_He_JW2013.snap %%DATADIR%%/potentials/W_He_JW2013.table %%DATADIR%%/potentials/W_zhou.eam.alloy +%%DATADIR%%/potentials/WBe_Wood_PRB2019.snap +%%DATADIR%%/potentials/WBe_Wood_PRB2019.snapcoeff +%%DATADIR%%/potentials/WBe_Wood_PRB2019.snapparam %%DATADIR%%/potentials/Zr_mm.eam.fs %%DATADIR%%/potentials/charmm22.cmap %%DATADIR%%/potentials/charmm36.cmap %%DATADIR%%/potentials/ci-reaxFF_ZBL.dat %%DATADIR%%/potentials/ffield.ci-reax.CH %%DATADIR%%/potentials/ffield.comb %%DATADIR%%/potentials/ffield.comb3 %%DATADIR%%/potentials/ffield.eim %%DATADIR%%/potentials/ffield.reax.AB %%DATADIR%%/potentials/ffield.reax.AuO %%DATADIR%%/potentials/ffield.reax.FC %%DATADIR%%/potentials/ffield.reax.Fe_O_C_H %%DATADIR%%/potentials/ffield.reax.V_O_C_H %%DATADIR%%/potentials/ffield.reax.ZnOH %%DATADIR%%/potentials/ffield.reax.budzien %%DATADIR%%/potentials/ffield.reax.cho %%DATADIR%%/potentials/ffield.reax.lg %%DATADIR%%/potentials/ffield.reax.mattsson %%DATADIR%%/potentials/ffield.reax.rdx %%DATADIR%%/potentials/ffield.smtbq.Al %%DATADIR%%/potentials/ffield.smtbq.Al2O3 %%DATADIR%%/potentials/ffield.smtbq.TiO2 %%DATADIR%%/potentials/lib.comb3 %%DATADIR%%/potentials/library.meam