Index: head/science/lammps/Makefile =================================================================== --- head/science/lammps/Makefile (revision 534001) +++ head/science/lammps/Makefile (revision 534002) @@ -1,135 +1,127 @@ # $FreeBSD$ PORTNAME= lammps PORTVERSION= ${GH_TAGNAME:C/(stable|patch)_([0-9]{1,2})([A-Z][a-z][a-z])([0-9]{4})/\4.\3.\2/S/Jan/01/S/Feb/02/S/Mar/03/S/Apr/04/S/May/05/S/Jun/06/S/Jul/07/S/Aug/08/S/Sep/09/S/Oct/10/S/Nov/11/S/Dec/12/} -PORTREVISION= 9 CATEGORIES= science -PATCH_SITES= https://github.com/${GH_ACCOUNT}/${GH_PROJECT}/commit/ -PATCHFILES= 89f119e8aa44ab31139cf4caceacb546c08f199d.patch:-p1 \ - c18efdbfa70f42390a3d535ccb1b8a423260f63a.patch:-p1 \ - 613b8a759666b4e2e15fca38323cf5455e154a6c.patch:-p1 \ - 2b542eacb7def4c6da6ff94ab716cb012111551e.patch:-p1 \ - 795e2cb133b99ed3b77fc73f367fff7bc9368b78.patch:-p1 # https://github.com/lammps/lammps/pull/2051 - 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 mpich mpich2 # conflicts with include/error.h from ga, already fixed in the head LIB_DEPENDS= libfftw3.so:math/fftw3 USES= blaslapack:openblas cmake:noninja compiler:c++11-lang eigen:3 fortran localbase:ldflags shebangfix USE_GITHUB= yes -GH_TAGNAME= patch_15Apr2020 +GH_TAGNAME= patch_5May2020 USE_LDCONFIG= yes SHEBANG_GLOB= *.sh *.bash SHEBANG_FILES= lib/kokkos/bin/nvcc_wrapper CMAKE_ON= BUILD_SHARED_LIBS CMAKE_SOURCE_PATH= ${WRKSRC}/cmake CMAKE_ARGS= -DBLA_VENDOR:STRING="OpenBLAS" ${CMAKE_ARGS_${CHOSEN_COMPILER_TYPE}} CMAKE_ARGS_gcc= -DBUILD_OMP:BOOL=false # enable packages (for a complete list see STANDARD_PACKAGES in cmake/CMakeLists.txt) CMAKE_ON+= PKG_ASPHERE PKG_BODY PKG_CLASS2 PKG_COLLOID PKG_COMPRESS PKG_DIPOLE CMAKE_ON+= PKG_GRANULAR PKG_KSPACE PKG_MANYBODY PKG_MC PKG_MESSAGE PKG_MISC PKG_MOLECULE PKG_PERI PKG_POEMS PKG_QEQ CMAKE_ON+= PKG_REPLICA PKG_RIGID PKG_SHOCK PKG_SPIN PKG_SNAP PKG_SRD CMAKE_ON+= PKG_USER-ATC PKG_USER-AWPMD PKG_USER-BOCS PKG_USER-CGDNA PKG_USER-MESODPD PKG_USER-CGSDK PKG_USER-COLVARS CMAKE_ON+= PKG_USER-DIFFRACTION PKG_USER-DPD PKG_USER-DRUDE PKG_USER-EFF PKG_USER-FEP CMAKE_ON+= PKG_USER-MANIFOLD PKG_USER-MEAMC PKG_USER-MGPT PKG_USER-MISC PKG_USER-MOFFF PKG_USER-MOLFILE CMAKE_ON+= PKG_USER-PHONON PKG_USER-PTM PKG_USER-QTB PKG_USER-REACTION CMAKE_ON+= PKG_USER-REAXC PKG_USER-SDPD PKG_USER-SMD PKG_USER-SMTBQ PKG_USER-SPH PKG_USER-TALLY CMAKE_ON+= PKG_USER-UEF PKG_USER-QMMM PKG_USER-YAFF # Packages requiring extra downloades or dependencies: PKG_MSCG PKG_USER-ADIOS2 PKG_USER-NETCDF PKG_USER-QUIP PKG_USER-SCAFACOS OPTIONS_DEFINE= JPEG PNG GZIP FFMPEG OPTIONS_GROUP= PARALLEL PACKAGES OPTIONS_DEFAULT= MPI OPENMP JPEG PNG GZIP FFMPEG H5MD KIM KOKKOS LATTE PLUMED VORONOI ${OPTIONS_DEFAULT_${CHOSEN_COMPILER_TYPE}} OPTIONS_SUB= yes PARALLEL_DESC= Enable parallelizations: PACKAGES_DESC= Enable packages: OPTIONS_GROUP_PARALLEL= MPI OPENMP ${OPTIONS_DEFINE_${CHOSEN_COMPILER_TYPE}} OPTIONS_GROUP_PACKAGES= H5MD KIM KOKKOS LATTE PLUMED VORONOI VTK MPI_CMAKE_BOOL= BUILD_MPI PKG_MPIIO PKG_USER-LB MPI_LIB_DEPENDS= libmpi.so:net/openmpi MPI_USES= compiler:c11 FFMPEG_CMAKE_BOOL= WITH_FFMPEG 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_DESC= Enable GZIP support GZIP_CMAKE_BOOL= WITH_GZIP H5MD_DESC= USER-H5MD package based on libhdf5 H5MD_CMAKE_BOOL= PKG_USER-H5MD H5MD_LIB_DEPENDS= libhdf5.so:science/hdf5 \ libsz.so:science/szip KIM_DESC= KIM package based on the OpenKim library/repository KIM_USES= pkgconfig KIM_CMAKE_BOOL= PKG_KIM KIM_CMAKE_ON= -DDOWNLOAD_KIM:BOOL=OFF KIM_LIB_DEPENDS= libkim-api.so:science/kim-api \ libcurl.so:ftp/curl KIM_RUN_DEPENDS= openkim-models>0:science/openkim-models KOKKOS_DESC= kokkos package based on the libkokkos library KOKKOS_CMAKE_BOOL= PKG_KOKKOS EXTERNAL_KOKKOS KOKKOS_LIB_DEPENDS= libkokkoscore.so:devel/kokkos LATTE_DESC= latte package based on the liblatte library LATTE_CMAKE_BOOL= PKG_LATTE LATTE_LIB_DEPENDS= liblatte.so:science/latte PLUMED_DESC= plumed package based on the plumed library PLUMED_USES= pkgconfig PLUMED_CMAKE_BOOL= PKG_USER-PLUMED PLUMED_CMAKE_ON= -DPLUMED_MODE=shared PLUMED_LIB_DEPENDS= libplumed.so:science/plumed VORONOI_DESC= voro++, Voronoi tessellation package VORONOI_CMAKE_BOOL= PKG_VORONOI VORONOI_LIB_DEPENDS= libvoro++.so:science/voro++ VTK_DESC= USER-VTK package based on the external vtk package VTK_CMAKE_BOOL= PKG_USER-VTK VTK_CMAKE_ON= -DVTK_DIR:PATH=${LOCALBASE}/lib/vtk-8.2/cmake/vtk-8.2 VTK_USES= qt:5 xorg VTK_USE= qt=core,gui,sql,widgets xorg=ice,sm,x11,xext,xt VTK_LIB_DEPENDS= libvtkImagingMath-8.2.so:math/vtk8 \ libexpat.so:textproc/expat2 \ libfreetype.so:print/freetype2 \ libtiff.so:graphics/tiff PORTSCOUT= ignore:1 # due to a special version tagging scheme that this project uses portscout fails to find new versions, watching their GitHub release page instead .include .if ${PORT_OPTIONS:MOPENMP} CMAKE_ARGS+= -DBUILD_OMP:BOOL=true .endif post-patch: @${REINPLACE_CMD} 's|SHELL = /bin/bash|SHELL = ${LOCALBASE}/bin/bash|' ${WRKSRC}/src/Makefile post-patch-FFMPEG-off: @${REINPLACE_CMD} 's|find_program(FFMPEG_EXECUTABLE|#&|' ${WRKSRC}/cmake/CMakeLists.txt post-install: @${RM} -r ${STAGEDIR}${PREFIX}/lib/python* .include Index: head/science/lammps/distinfo =================================================================== --- head/science/lammps/distinfo (revision 534001) +++ head/science/lammps/distinfo (revision 534002) @@ -1,13 +1,3 @@ -TIMESTAMP = 1588473333 -SHA256 (lammps-lammps-2020.04.15-patch_15Apr2020_GH0.tar.gz) = 16f246a32b7bb74520a6f8a5dbcb7f31b769db5458494a333648f78eaf8092c3 -SIZE (lammps-lammps-2020.04.15-patch_15Apr2020_GH0.tar.gz) = 124312978 -SHA256 (89f119e8aa44ab31139cf4caceacb546c08f199d.patch) = a2ca2d3b59154947db637789905c84a4b464d23f42f3cc65730d3419ca4ff0ff -SIZE (89f119e8aa44ab31139cf4caceacb546c08f199d.patch) = 1115 -SHA256 (c18efdbfa70f42390a3d535ccb1b8a423260f63a.patch) = e7ac2062355485644899824b2f7a88f4bdecb069f3ee3cd2721a51c1ad4cf591 -SIZE (c18efdbfa70f42390a3d535ccb1b8a423260f63a.patch) = 960 -SHA256 (613b8a759666b4e2e15fca38323cf5455e154a6c.patch) = 8f524d960e6922dbfc27fb4fe2d956c3cf4fea511d715742fb30024fabc0bb53 -SIZE (613b8a759666b4e2e15fca38323cf5455e154a6c.patch) = 2257 -SHA256 (2b542eacb7def4c6da6ff94ab716cb012111551e.patch) = fd563d2a2bfc7f32bcc9009f9b73cc0e24fae4dae35690318384093c68728f28 -SIZE (2b542eacb7def4c6da6ff94ab716cb012111551e.patch) = 665 -SHA256 (795e2cb133b99ed3b77fc73f367fff7bc9368b78.patch) = 86ca2e8500cafebe1791947ebf01828ca0ce6f68a1c8bf474fbbecc48f5c00a4 -SIZE (795e2cb133b99ed3b77fc73f367fff7bc9368b78.patch) = 867 +TIMESTAMP = 1588639354 +SHA256 (lammps-lammps-2020.05.5-patch_5May2020_GH0.tar.gz) = c49d77fd602d28ebd8cf10f7359b9fc4d14668c72039028ed7792453d416de73 +SIZE (lammps-lammps-2020.05.5-patch_5May2020_GH0.tar.gz) = 129538875 Index: head/science/lammps/files/patch-lib_atc_Function.cpp =================================================================== --- head/science/lammps/files/patch-lib_atc_Function.cpp (revision 534001) +++ head/science/lammps/files/patch-lib_atc_Function.cpp (nonexistent) @@ -1,11 +0,0 @@ -https://github.com/lammps/lammps/issues/2062 - ---- lib/atc/Function.cpp.orig 2020-05-03 03:21:56 UTC -+++ lib/atc/Function.cpp -@@ -1,5 +1,5 @@ - #ifndef _WIN32 --#include -+#include - #endif - #include "Function.h" - #include "ATC_Error.h" Property changes on: head/science/lammps/files/patch-lib_atc_Function.cpp ___________________________________________________________________ Deleted: fbsd:nokeywords ## -1 +0,0 ## -yes \ No newline at end of property Deleted: svn:eol-style ## -1 +0,0 ## -native \ No newline at end of property Deleted: svn:mime-type ## -1 +0,0 ## -text/plain \ No newline at end of property Index: head/science/lammps/pkg-plist =================================================================== --- head/science/lammps/pkg-plist (revision 534001) +++ head/science/lammps/pkg-plist (revision 534002) @@ -1,247 +1,250 @@ bin/lmp etc/profile.d/lammps.csh etc/profile.d/lammps.sh include/lammps/angle.h include/lammps/atom.h include/lammps/bond.h include/lammps/citeme.h include/lammps/comm.h include/lammps/compute.h include/lammps/dihedral.h include/lammps/domain.h include/lammps/error.h include/lammps/fix.h include/lammps/force.h include/lammps/group.h include/lammps/improper.h include/lammps/info.h include/lammps/input.h include/lammps/kspace.h include/lammps/lammps.h include/lammps/lattice.h include/lammps/library.h include/lammps/lmppython.h include/lammps/lmptype.h include/lammps/memory.h include/lammps/modify.h %%NO_MPI%%include/lammps/mpi/mpi.h include/lammps/neigh_list.h include/lammps/neighbor.h include/lammps/output.h include/lammps/pair.h include/lammps/pointers.h include/lammps/region.h include/lammps/timer.h include/lammps/universe.h include/lammps/update.h include/lammps/variable.h lib/cmake/LAMMPS/FindCUB.cmake lib/cmake/LAMMPS/FindFFTW3.cmake lib/cmake/LAMMPS/FindFFTW3F.cmake lib/cmake/LAMMPS/FindLATTE.cmake lib/cmake/LAMMPS/FindMKL.cmake lib/cmake/LAMMPS/FindMSCG.cmake lib/cmake/LAMMPS/FindNetCDF.cmake lib/cmake/LAMMPS/FindPNetCDF.cmake lib/cmake/LAMMPS/FindQUIP.cmake lib/cmake/LAMMPS/FindTBB_MALLOC.cmake lib/cmake/LAMMPS/FindVORO.cmake lib/cmake/LAMMPS/FindZMQ.cmake lib/cmake/LAMMPS/LAMMPSConfig.cmake lib/cmake/LAMMPS/LAMMPSConfigVersion.cmake lib/cmake/LAMMPS/LAMMPS_Targets-%%CMAKE_BUILD_TYPE%%.cmake lib/cmake/LAMMPS/LAMMPS_Targets.cmake lib/liblammps.so lib/liblammps.so.0 libdata/pkgconfig/liblammps.pc 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/AlCuH.bop.table %%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/BNC_MBD_bulk.ILP %%DATADIR%%/potentials/BNC_TS_bulk.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/C_10_10.mesocnt %%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_Zuo_JPCA2020.quadratic.snap %%DATADIR%%/potentials/Cu_Zuo_JPCA2020.quadratic.snapcoeff %%DATADIR%%/potentials/Cu_Zuo_JPCA2020.quadratic.snapparam %%DATADIR%%/potentials/Cu_Zuo_JPCA2020.snap %%DATADIR%%/potentials/Cu_Zuo_JPCA2020.snapcoeff %%DATADIR%%/potentials/Cu_Zuo_JPCA2020.snapparam %%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/FeCH_BOP_I.poly +%%DATADIR%%/potentials/FeCH_BOP_II.poly %%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/Ge_Zuo_JPCA2020.quadratic.snap %%DATADIR%%/potentials/Ge_Zuo_JPCA2020.quadratic.snapcoeff %%DATADIR%%/potentials/Ge_Zuo_JPCA2020.quadratic.snapparam %%DATADIR%%/potentials/Ge_Zuo_JPCA2020.snap %%DATADIR%%/potentials/Ge_Zuo_JPCA2020.snapcoeff %%DATADIR%%/potentials/Ge_Zuo_JPCA2020.snapparam %%DATADIR%%/potentials/He_He_JW2013.table %%DATADIR%%/potentials/InP.vashishta %%DATADIR%%/potentials/Li_Zuo_JPCA2020.quadratic.snap %%DATADIR%%/potentials/Li_Zuo_JPCA2020.quadratic.snapcoeff 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