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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 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_10Mar2021
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= EXCEPTIONS JPEG PNG GZIP FFMPEG
OPTIONS_GROUP= PARALLEL PACKAGES
OPTIONS_DEFAULT= EXCEPTIONS 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
EXCEPTIONS_DESC= Enable the use of C++ exceptions
EXCEPTIONS_CMAKE_BOOL= LAMMPS_EXCEPTIONS
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 <bsd.port.options.mk>
.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 <bsd.port.mk>
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