Index: head/science/Makefile =================================================================== --- head/science/Makefile (revision 483964) +++ head/science/Makefile (revision 483965) @@ -1,306 +1,307 @@ # $FreeBSD$ # COMMENT = Scientific ports SUBDIR += 2d-rewriter SUBDIR += ALPSCore SUBDIR += InsightToolkit SUBDIR += MOOSE-neural-simulator SUBDIR += PETSc SUBDIR += R-cran-AMORE SUBDIR += R-cran-DCluster SUBDIR += R-cran-Epi SUBDIR += R-cran-bayesm SUBDIR += R-cran-cmprsk SUBDIR += R-cran-e1071 SUBDIR += R-cran-eco SUBDIR += R-cran-epicalc SUBDIR += R-cran-etm SUBDIR += R-cran-fastICA SUBDIR += R-cran-kernlab SUBDIR += R-cran-snow SUBDIR += R-cran-som SUBDIR += R-cran-udunits2 SUBDIR += abinit SUBDIR += afni SUBDIR += aircraft-datcom SUBDIR += antioch SUBDIR += atom SUBDIR += atompaw SUBDIR += avogadro SUBDIR += avogadro2 SUBDIR += avogadrolibs SUBDIR += bagel SUBDIR += bddsolve SUBDIR += bft SUBDIR += bodr SUBDIR += brian SUBDIR += buddy SUBDIR += cdcl SUBDIR += cdf SUBDIR += cdo SUBDIR += cgnslib SUBDIR += cgribex SUBDIR += checkmol SUBDIR += chemical-mime-data SUBDIR += chemps2 SUBDIR += chemtool SUBDIR += chemtool-devel SUBDIR += chrono SUBDIR += clhep SUBDIR += clipper SUBDIR += colt SUBDIR += coordgenlibs SUBDIR += coot SUBDIR += cp2k SUBDIR += crf++ SUBDIR += dalton SUBDIR += datawarrior SUBDIR += dcl SUBDIR += devisor SUBDIR += dft_tools SUBDIR += dftbplus SUBDIR += dkh SUBDIR += dlib-cpp SUBDIR += dlpoly-classic SUBDIR += eccodes SUBDIR += ecs SUBDIR += elk SUBDIR += epte SUBDIR += erd SUBDIR += erkale SUBDIR += fastcap SUBDIR += fasthenry SUBDIR += fisicalab SUBDIR += fleur SUBDIR += fsom SUBDIR += fvcom SUBDIR += fvcom-mpi SUBDIR += fvm SUBDIR += gabedit SUBDIR += gamess-us SUBDIR += gchemutils SUBDIR += gdma SUBDIR += getdp SUBDIR += ghemical SUBDIR += ghmm SUBDIR += gnudatalanguage SUBDIR += gpaw-setups SUBDIR += gramps SUBDIR += grib_api SUBDIR += gromacs SUBDIR += gsmc SUBDIR += gtamsanalyzer SUBDIR += gwyddion SUBDIR += h5utils SUBDIR += harminv SUBDIR += hdf SUBDIR += hdf5 SUBDIR += hdf5-18 SUBDIR += hypre SUBDIR += iboview SUBDIR += isaac-cfd SUBDIR += jdftx SUBDIR += jstrack SUBDIR += kalzium SUBDIR += kalzium-kde4 SUBDIR += kst2 SUBDIR += lammps SUBDIR += lamprop SUBDIR += latte SUBDIR += libaec SUBDIR += libccp4 SUBDIR += libcint SUBDIR += libctl SUBDIR += libefp SUBDIR += libgeodecomp SUBDIR += libghemical SUBDIR += libgridxc SUBDIR += libint SUBDIR += libint2 SUBDIR += libkml SUBDIR += liblinear SUBDIR += libmsym SUBDIR += liboglappth SUBDIR += libquantum SUBDIR += libssm SUBDIR += libsvm SUBDIR += libsvm-python SUBDIR += libxc + SUBDIR += liggghts SUBDIR += linsmith SUBDIR += lm SUBDIR += luscus SUBDIR += madness SUBDIR += maeparser SUBDIR += massxpert SUBDIR += mbdyn SUBDIR += mcstas SUBDIR += mcstas-comps SUBDIR += mcxtrace SUBDIR += mcxtrace-comps SUBDIR += mdynamix SUBDIR += medit SUBDIR += meep SUBDIR += mei SUBDIR += metaf2xml SUBDIR += metaphysicl SUBDIR += minc2 SUBDIR += mmdb2 SUBDIR += mmtf SUBDIR += mol2ps SUBDIR += molgif SUBDIR += molsketch SUBDIR += mpb SUBDIR += mpqc SUBDIR += msms SUBDIR += multiwfn SUBDIR += namd SUBDIR += ncs SUBDIR += netcdf SUBDIR += netcdf-cxx SUBDIR += netcdf-fortran SUBDIR += nifticlib SUBDIR += nwchem SUBDIR += octopus SUBDIR += openbabel SUBDIR += openkim SUBDIR += openmx SUBDIR += openstructure SUBDIR += p5-Algorithm-SVMLight SUBDIR += p5-Chemistry-3DBuilder SUBDIR += p5-Chemistry-Bond-Find SUBDIR += p5-Chemistry-Canonicalize SUBDIR += p5-Chemistry-Elements SUBDIR += p5-Chemistry-File-MDLMol SUBDIR += p5-Chemistry-File-Mopac SUBDIR += p5-Chemistry-File-PDB SUBDIR += p5-Chemistry-File-SLN SUBDIR += p5-Chemistry-File-SMARTS SUBDIR += p5-Chemistry-File-SMILES SUBDIR += p5-Chemistry-File-VRML SUBDIR += p5-Chemistry-File-XYZ SUBDIR += p5-Chemistry-FormulaPattern SUBDIR += p5-Chemistry-InternalCoords SUBDIR += p5-Chemistry-Isotope SUBDIR += p5-Chemistry-MacroMol SUBDIR += p5-Chemistry-MidasPattern SUBDIR += p5-Chemistry-Mok SUBDIR += p5-Chemistry-Mol SUBDIR += p5-Chemistry-Pattern SUBDIR += p5-Chemistry-Reaction SUBDIR += p5-Chemistry-Ring SUBDIR += p5-Geo-BUFR SUBDIR += p5-Geo-Coordinates-Converter SUBDIR += p5-Geo-Coordinates-Converter-iArea SUBDIR += p5-Geo-ReadGRIB SUBDIR += p5-Geo-WebService-Elevation-USGS SUBDIR += p5-Mcstas-Tools SUBDIR += p5-PerlMol SUBDIR += p5-Physics-Unit SUBDIR += paje SUBDIR += paraview SUBDIR += pcmsolver SUBDIR += pnetcdf SUBDIR += psychopy SUBDIR += pulseview SUBDIR += py-DendroPy SUBDIR += py-PyFR SUBDIR += py-MDAnalysis SUBDIR += py-MDAnalysisTests SUBDIR += py-OpenFermion SUBDIR += py-PyQuante SUBDIR += py-ScientificPython SUBDIR += py-SimpleSpectral SUBDIR += py-abipy SUBDIR += py-ase SUBDIR += py-avogadrolibs SUBDIR += py-cdo SUBDIR += py-chempy SUBDIR += py-coards SUBDIR += py-dlib SUBDIR += py-gpaw SUBDIR += py-gsd SUBDIR += py-h5py SUBDIR += py-hcluster SUBDIR += py-kinematics SUBDIR += py-mdp SUBDIR += py-mlpy SUBDIR += py-mmtf-python SUBDIR += py-molmod SUBDIR += py-netCDF4 SUBDIR += py-obspy SUBDIR += py-openpiv SUBDIR += py-paida SUBDIR += py-phono3py SUBDIR += py-phonopy SUBDIR += py-pupynere SUBDIR += py-pyaixi SUBDIR += py-pydicom SUBDIR += py-pymatgen SUBDIR += py-pymol SUBDIR += py-pyosf SUBDIR += py-pysal SUBDIR += py-pyteomics SUBDIR += py-pyteomics.biolccc SUBDIR += py-qspin SUBDIR += py-quantities SUBDIR += py-rmf SUBDIR += py-scikit-fuzzy SUBDIR += py-scikit-learn SUBDIR += py-scikit-sparse SUBDIR += py-scimath SUBDIR += py-scipy SUBDIR += py-scoria SUBDIR += py-spglib SUBDIR += py-veusz SUBDIR += py-ws2300 SUBDIR += pybrain SUBDIR += pycdf SUBDIR += pynn SUBDIR += qbox SUBDIR += qcl SUBDIR += qmcpack SUBDIR += qtresistors SUBDIR += quantum-espresso SUBDIR += qwalk SUBDIR += rdkit SUBDIR += rmf SUBDIR += rubygem-ai4r SUBDIR += rubygem-cdo SUBDIR += rubygem-rgeo SUBDIR += rubygem-rgeo-geojson SUBDIR += rubygem-rgeo-proj4 SUBDIR += rubygem-rgeo-shapefile SUBDIR += rubygem-ruby-dcl SUBDIR += rubygem-ruby-netcdf SUBDIR += siesta SUBDIR += sigrok-cli SUBDIR += sigrok-firmware SUBDIR += sigrok-firmware-fx2lafw SUBDIR += sigrok-firmware-utils SUBDIR += silo SUBDIR += simint SUBDIR += simlib SUBDIR += simsmith SUBDIR += spglib SUBDIR += step SUBDIR += step-kde4 SUBDIR += svmlight SUBDIR += szip SUBDIR += teem SUBDIR += tfel SUBDIR += tinker SUBDIR += triqs SUBDIR += udunits SUBDIR += v_sim SUBDIR += vmd SUBDIR += voro++ SUBDIR += wannier90 SUBDIR += wxmacmolplt SUBDIR += xcrysden SUBDIR += xdrawchem SUBDIR += xfce4-equake-plugin SUBDIR += xmakemol .include Index: head/science/liggghts/Makefile =================================================================== --- head/science/liggghts/Makefile (nonexistent) +++ head/science/liggghts/Makefile (revision 483965) @@ -0,0 +1,38 @@ +# $FreeBSD$ + +PORTNAME= liggghts +DISTVERSION= 3.8.0 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Discrete element method particle simulation software + +LICENSE= GPLv2 +LICENSE_FILE= ${WRKSRC}/../LICENSE + +BUILD_DEPENDS= gsed:textproc/gsed +LIB_DEPENDS= libexpat.so:textproc/expat2 \ + libfreetype.so:print/freetype2 \ + libmpi.so:net/openmpi \ + libpng16.so:graphics/png \ + libtiff.so:graphics/tiff \ + libvtkViewsCore-8.1.so:math/vtk8 + +USES= compiler:c++17-lang cmake:outsource fortran jpeg qt:5 +USE_GITHUB= yes +GH_ACCOUNT= CFDEMproject +GH_PROJECT= ${PORTNAME:tu}-PUBLIC +USE_XORG= ice sm x11 xext xt +USE_QT= core gui sql widgets qmake_build buildtools_build +USE_LDCONFIG= yes + +CMAKE_ARGS= -DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/mpi/openmpi/bin/mpicc" -DMPI_CXX_COMPILER:FILEPATH="${LOCALBASE}/mpi/openmpi/bin/mpicxx" + +WRKSRC_SUBDIR= src + +CFLAGS+= -fPIC +CXXFLAGS+= -fPIC + +BINARY_ALIAS= sed=gsed + +.include Property changes on: head/science/liggghts/Makefile ___________________________________________________________________ Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:keywords ## -0,0 +1 ## +FreeBSD=%H \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/liggghts/distinfo =================================================================== --- head/science/liggghts/distinfo (nonexistent) +++ head/science/liggghts/distinfo (revision 483965) @@ -0,0 +1,3 @@ +TIMESTAMP = 1541105259 +SHA256 (CFDEMproject-LIGGGHTS-PUBLIC-3.8.0_GH0.tar.gz) = 9cb2e6596f584463ac2f80e3ff7b9588b7e3638c44324635b6329df87b90ab03 +SIZE (CFDEMproject-LIGGGHTS-PUBLIC-3.8.0_GH0.tar.gz) = 35989481 Property changes on: head/science/liggghts/distinfo ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/liggghts/files/patch-CMakeLists.txt =================================================================== --- head/science/liggghts/files/patch-CMakeLists.txt (nonexistent) +++ head/science/liggghts/files/patch-CMakeLists.txt (revision 483965) @@ -0,0 +1,72 @@ +--- CMakeLists.txt.orig 2018-11-04 08:11:29 UTC ++++ CMakeLists.txt +@@ -47,9 +47,9 @@ ENDIF() + ADD_LIBRARY(liggghts_obj OBJECT ${SOURCES}) + ADD_DEPENDENCIES(liggghts_obj GenerateHeaders) + +-ADD_LIBRARY(liggghts_static STATIC $) +-SET_TARGET_PROPERTIES(liggghts_static PROPERTIES OUTPUT_NAME liggghts) +-SET_PROPERTY(TARGET liggghts_static PROPERTY PUBLIC_HEADER ${HEADERS}) ++#ADD_LIBRARY(liggghts_static STATIC $) ++#SET_TARGET_PROPERTIES(liggghts_static PROPERTIES OUTPUT_NAME liggghts) ++#SET_PROPERTY(TARGET liggghts_static PROPERTY PUBLIC_HEADER ${HEADERS}) + + ADD_LIBRARY(liggghts_shared SHARED $) + SET_TARGET_PROPERTIES(liggghts_shared PROPERTIES OUTPUT_NAME liggghts) +@@ -67,7 +67,7 @@ FIND_PACKAGE(VTK NO_MODULE) + IF(VTK_FOUND) + INCLUDE(${VTK_USE_FILE}) + ADD_DEFINITIONS(-DLAMMPS_VTK) +- TARGET_LINK_LIBRARIES(liggghts_static ${VTK_LIBRARIES}) ++ #TARGET_LINK_LIBRARIES(liggghts_static ${VTK_LIBRARIES}) + TARGET_LINK_LIBRARIES(liggghts_shared ${VTK_LIBRARIES}) + TARGET_LINK_LIBRARIES(liggghts_bin ${VTK_LIBRARIES}) + MESSAGE(STATUS "Found VTK") +@@ -82,7 +82,7 @@ FIND_PACKAGE(JPEG) + IF(JPEG_FOUND) + INCLUDE_DIRECTORIES(${JPEG_INCLUDE_DIR}) + ADD_DEFINITIONS(-DLAMMPS_JPEG) +- TARGET_LINK_LIBRARIES(liggghts_static jpeg) ++ #TARGET_LINK_LIBRARIES(liggghts_static jpeg) + TARGET_LINK_LIBRARIES(liggghts_shared jpeg) + TARGET_LINK_LIBRARIES(liggghts_bin jpeg) + ELSE(JPEG_FOUND) +@@ -95,25 +95,25 @@ FIND_PACKAGE(MPI) + + IF(MPI_FOUND) + INCLUDE_DIRECTORIES(${MPI_INCLUDE_PATH}) +- TARGET_LINK_LIBRARIES(liggghts_static ${MPI_LIBRARIES}) ++ #TARGET_LINK_LIBRARIES(liggghts_static ${MPI_LIBRARIES}) + TARGET_LINK_LIBRARIES(liggghts_shared ${MPI_LIBRARIES}) + TARGET_LINK_LIBRARIES(liggghts_bin ${MPI_LIBRARIES}) + + IF(MPI_COMPILE_FLAGS) +- SET_TARGET_PROPERTIES(liggghts_static PROPERTIES COMPILE_FLAGS "${MPI_COMPILE_FLAGS}") ++ #SET_TARGET_PROPERTIES(liggghts_static PROPERTIES COMPILE_FLAGS "${MPI_COMPILE_FLAGS}") + SET_TARGET_PROPERTIES(liggghts_shared PROPERTIES COMPILE_FLAGS "${MPI_COMPILE_FLAGS}") + SET_TARGET_PROPERTIES(liggghts_bin PROPERTIES COMPILE_FLAGS "${MPI_COMPILE_FLAGS}") + ENDIF() + + IF(MPI_LINK_FLAGS) +- SET_TARGET_PROPERTIES(liggghts_static PROPERTIES LINK_FLAGS "${MPI_LINK_FLAGS}") ++ #SET_TARGET_PROPERTIES(liggghts_static PROPERTIES LINK_FLAGS "${MPI_LINK_FLAGS}") + SET_TARGET_PROPERTIES(liggghts_shared PROPERTIES LINK_FLAGS "${MPI_LINK_FLAGS}") + SET_TARGET_PROPERTIES(liggghts_bin PROPERTIES LINK_FLAGS "${MPI_LINK_FLAGS}") + ENDIF() + ELSE(MPI_FOUND) + MESSAGE(STATUS "MPI NOT found! Using MPI Stubs instead.") + ADD_SUBDIRECTORY(STUBS) +- TARGET_LINK_LIBRARIES(liggghts_static mpi_stubs) ++ #TARGET_LINK_LIBRARIES(liggghts_static mpi_stubs) + TARGET_LINK_LIBRARIES(liggghts_shared mpi_stubs) + TARGET_LINK_LIBRARIES(liggghts_bin mpi_stubs) + ENDIF(MPI_FOUND) +@@ -128,7 +128,7 @@ ENDIF(MPI_FOUND) + # RUNTIME DESTINATION bin + # LIBRARY DESTINATION lib) + +-install(TARGETS liggghts_bin liggghts_static liggghts_shared ++install(TARGETS liggghts_bin liggghts_shared + RUNTIME DESTINATION bin + LIBRARY DESTINATION lib + ARCHIVE DESTINATION lib Property changes on: head/science/liggghts/files/patch-CMakeLists.txt ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/liggghts/files/patch-finish.cpp =================================================================== --- head/science/liggghts/files/patch-finish.cpp (nonexistent) +++ head/science/liggghts/files/patch-finish.cpp (revision 483965) @@ -0,0 +1,11 @@ +--- finish.cpp.orig 2018-11-02 06:42:25 UTC ++++ finish.cpp +@@ -719,7 +719,7 @@ void Finish::end(int flag) + + nneighfull = 0; + if (m < neighbor->old_nrequest) { +- if (neighbor->lists[m]->numneigh > 0) { ++ if (neighbor->lists[m]->numneigh) { // see https://www.cfdem.com/forums/error-non-const-lvalue-reference-type-basicostringstream-cannot-bind-temporary-type + int inum = neighbor->lists[m]->inum; + int *ilist = neighbor->lists[m]->ilist; + int *numneigh = neighbor->lists[m]->numneigh; Property changes on: head/science/liggghts/files/patch-finish.cpp ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/liggghts/files/patch-math__vector.h =================================================================== --- head/science/liggghts/files/patch-math__vector.h (nonexistent) +++ head/science/liggghts/files/patch-math__vector.h (revision 483965) @@ -0,0 +1,38 @@ +--- math_vector.h.orig 2018-11-02 06:51:37 UTC ++++ math_vector.h +@@ -94,7 +94,7 @@ inline void vec_neg(vector &dest) { + dest[2] = -dest[2]; } + + inline void vec_norm(vector &dest) { // a/|a| +- register double f = sqrt(vec_dot(dest, dest)); ++ double f = sqrt(vec_dot(dest, dest)); + dest[0] /= f; + dest[1] /= f; + dest[2] /= f; } +@@ -222,7 +222,7 @@ inline void form_subtr(shape &dest, form + dest[3] -= src[3]; dest[4] -= src[4]; dest[5] -= src[5]; } + + inline int form_inv(form &m_inv, form &m) { // m^-1 +- register double det = form_det(m); ++ double det = form_det(m); + if (fzero(det)) return 0; + m_inv[0] = (m[1]*m[2]-m[3]*m[3])/det; + m_inv[1] = (m[0]*m[2]-m[4]*m[4])/det; +@@ -377,7 +377,7 @@ inline void form4_unit(form4 &dest) { + dest[0] = dest[1] = dest[2] = dest[3] = 1.0; } + + inline double form4_det(form4 &m) { +- register double f = m[6]*m[7]-m[5]*m[8]; ++ double f = m[6]*m[7]-m[5]*m[8]; + return m[0]*( + m[1]*(m[2]*m[3]-m[4]*m[4])+ + m[5]*(2.0*m[4]*m[7]-m[2]*m[5])-m[3]*m[7]*m[7])+f*f+ +@@ -387,7 +387,7 @@ inline double form4_det(form4 &m) { + m[9]*(m[4]*m[4]-m[2]*m[3])); } + + inline int form4_inv(form4 &m_inv, form4 &m) { +- register double det = form4_det(m); ++ double det = form4_det(m); + if (fzero(det)) return 0; + m_inv[0] = (m[1]*(m[2]*m[3]-m[4]*m[4])+ + m[5]*(2.0*m[4]*m[7]-m[2]*m[5])-m[3]*m[7]*m[7])/det; Property changes on: head/science/liggghts/files/patch-math__vector.h ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/liggghts/files/patch-pair.cpp =================================================================== --- head/science/liggghts/files/patch-pair.cpp (nonexistent) +++ head/science/liggghts/files/patch-pair.cpp (revision 483965) @@ -0,0 +1,20 @@ +--- pair.cpp.orig 2018-11-02 06:56:59 UTC ++++ pair.cpp +@@ -566,7 +566,7 @@ void Pair::init_tables_disp(double cut_l + } + + rsq = rsq_lookup.f; +- register double x2 = g2*rsq, a2 = 1.0/x2; ++ double x2 = g2*rsq, a2 = 1.0/x2; + x2 = a2*exp(-x2); + + rdisptable[i] = rsq_lookup.f; +@@ -612,7 +612,7 @@ void Pair::init_tables_disp(double cut_l + if (rsq_lookup.f < (cut_lj_globalsq = cut_lj_global * cut_lj_global)) { + rsq_lookup.f = cut_lj_globalsq; + +- register double x2 = g2*rsq, a2 = 1.0/x2; ++ double x2 = g2*rsq, a2 = 1.0/x2; + x2 = a2*exp(-x2); + f_tmp = g8*(((6.0*a2+6.0)*a2+3.0)*a2+1.0)*x2*rsq; + e_tmp = g6*((a2+1.0)*a2+0.5)*x2; Property changes on: head/science/liggghts/files/patch-pair.cpp ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/liggghts/files/patch-utils.h =================================================================== --- head/science/liggghts/files/patch-utils.h (nonexistent) +++ head/science/liggghts/files/patch-utils.h (revision 483965) @@ -0,0 +1,15 @@ +--- utils.h.orig 2018-11-02 06:39:45 UTC ++++ utils.h +@@ -67,7 +67,11 @@ namespace Utils { + + inline std::string int_to_string(int a) + { +- return static_cast< std::ostringstream & >(( std::ostringstream() << std::dec << a ) ).str(); ++ // see https://www.cfdem.com/forums/error-non-const-lvalue-reference-type-basicostringstream-cannot-bind-temporary-type ++ // return static_cast< std::ostringstream & >(( std::ostringstream() << std::dec << a ) ).str(); ++ std::ostringstream ss; ++ ss << std::dec << a; ++ return ss.str(); + } + + inline std::string double_to_string(double dbl) Property changes on: head/science/liggghts/files/patch-utils.h ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/liggghts/pkg-descr =================================================================== --- head/science/liggghts/pkg-descr (nonexistent) +++ head/science/liggghts/pkg-descr (revision 483965) @@ -0,0 +1,21 @@ +LIGGGHTS stands for LAMMPS improved for general granular and granular heat +transfer simulations. + +LAMMPS is a classical molecular dynamics simulator. It is widely used in the +field of Molecular Dynamics. Thanks to physical and algorithmic analogies, +LAMMPS is a very good platform for DEM simulations. LAMMPS offers a GRANULAR +package to perform these kind of simulations. LIGGGHTS aims to improve those +capability with the goal to apply it to industrial applications. + +The features added in LIGGGHTS with respect to the original LAMMPS distribution +comprise: +* Import and handling of complex wall geometries from CAD +* A moving mesh feature to account for moving geometry +* Re-write of contact force formulation, including optional cohesional and + rolling friction forces +* Heat conduction between particles in contact +* Improved particle insertion based on surface and volume meshes +* A "template" mechanism to account for particle non-uniformity +* More features added in the meantime and upcoming, see here. + +WWW: https://www.cfdem.com/liggghts-open-source-discrete-element-method-particle-simulation-code Property changes on: head/science/liggghts/pkg-descr ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/liggghts/pkg-plist =================================================================== --- head/science/liggghts/pkg-plist (nonexistent) +++ head/science/liggghts/pkg-plist (revision 483965) @@ -0,0 +1,448 @@ +bin/liggghts +include/abstract_mesh.h +include/accelerator_cuda.h +include/accelerator_omp.h +include/angle.h +include/angle_hybrid.h +include/associative_pointer_array.h +include/associative_pointer_array_I.h +include/atom.h +include/atom_masks.h +include/atom_vec.h +include/atom_vec_atomic.h +include/atom_vec_charge.h +include/atom_vec_convexhull.h +include/atom_vec_ellipsoid.h +include/atom_vec_full.h +include/atom_vec_hybrid.h +include/atom_vec_line.h +include/atom_vec_molecular.h +include/atom_vec_sph.h +include/atom_vec_sph_var.h +include/atom_vec_sphere.h +include/atom_vec_superquadric.h +include/atom_vec_tri.h +include/bond.h +include/bond_harmonic.h +include/bond_hybrid.h +include/bounding_box.h +include/cfd_datacoupling.h +include/cfd_datacoupling_file.h +include/cfd_datacoupling_mpi.h +include/cfd_datacoupling_simple.h +include/cfd_regionmodel.h +include/cfd_regionmodel_none.h +include/change_box.h +include/citeme.h +include/cohesion_model_base.h +include/cohesion_model_easo_capillary_viscous.h +include/cohesion_model_sjkr.h +include/cohesion_model_sjkr2.h +include/cohesion_model_washino_capillary_viscous.h +include/comm.h +include/comm_I.h +include/compute.h +include/compute_atom_molecule.h +include/compute_bond_local.h +include/compute_centro_atom.h +include/compute_cluster_atom.h +include/compute_cna_atom.h +include/compute_com.h +include/compute_com_molecule.h +include/compute_contact_atom.h +include/compute_contact_atom_gran.h +include/compute_coord_atom.h +include/compute_displace_atom.h +include/compute_erotate.h +include/compute_erotate_asphere.h +include/compute_erotate_multisphere.h +include/compute_erotate_sphere.h +include/compute_erotate_sphere_atom.h +include/compute_erotate_superquadric.h +include/compute_group_group.h +include/compute_gyration.h +include/compute_gyration_molecule.h +include/compute_inertia_molecule.h +include/compute_ke.h +include/compute_ke_atom.h +include/compute_ke_multisphere.h +include/compute_msd.h +include/compute_msd_molecule.h +include/compute_nparticles_tracer_region.h +include/compute_pair_gran_local.h +include/compute_pe.h +include/compute_pe_atom.h +include/compute_pressure.h +include/compute_property_atom.h +include/compute_property_local.h +include/compute_property_molecule.h +include/compute_rdf.h +include/compute_reduce.h +include/compute_reduce_region.h +include/compute_rigid.h +include/compute_slice.h +include/compute_stress_atom.h +include/compute_temp.h +include/contact_interface.h +include/contact_model_base.h +include/contact_model_constants.h +include/contact_models.h +include/container.h +include/container_base.h +include/container_base_I.h +include/create_atoms.h +include/create_box.h +include/custom_value_tracker.h +include/custom_value_tracker_I.h +include/debug_liggghts.h +include/delete_atoms.h +include/delete_bonds.h +include/dihedral.h +include/dihedral_hybrid.h +include/displace_atoms.h +include/domain.h +include/domain_I.h +include/domain_definitions.h +include/domain_wedge.h +include/domain_wedge_dummy.h +include/dump.h +include/dump_atom_vtk.h +include/dump_custom.h +include/dump_custom_vtk.h +include/dump_custom_vtm.h +include/dump_decomposition_vtk.h +include/dump_euler_vtk.h +include/dump_image.h +include/dump_local.h +include/dump_local_gran.h +include/dump_local_gran_vtk.h +include/dump_mesh.h +include/dump_mesh_stl.h +include/dump_mesh_vtk.h +include/dump_mesh_vtm.h +include/dump_movie.h +include/dump_particle.h +include/dump_vtk.h +include/dump_xyz.h +include/error.h +include/error_special.h +include/finish.h +include/fix.h +include/fix_adapt.h +include/fix_addforce.h +include/fix_ave_atom.h +include/fix_ave_correlate.h +include/fix_ave_euler.h +include/fix_ave_histo.h +include/fix_ave_spatial.h +include/fix_ave_time.h +include/fix_aveforce.h +include/fix_base_liggghts.h +include/fix_box_relax.h +include/fix_buoyancy.h +include/fix_calculate_energy_wall.h +include/fix_cfd_coupling.h +include/fix_cfd_coupling_convection.h +include/fix_cfd_coupling_convection_impl.h +include/fix_cfd_coupling_convection_species.h +include/fix_cfd_coupling_force.h +include/fix_cfd_coupling_force_implicit.h +include/fix_check_timestep_gran.h +include/fix_check_timestep_sph.h +include/fix_contact_atom_counter.h +include/fix_contact_atom_counter_dummy.h +include/fix_contact_atom_counter_wall.h +include/fix_contact_atom_counter_wall_dummy.h +include/fix_contact_history.h +include/fix_contact_history_mesh.h +include/fix_contact_history_mesh_I.h +include/fix_contact_property_atom.h +include/fix_contact_property_atom_wall.h +include/fix_continuum_weighted.h +include/fix_deform.h +include/fix_deform_check.h +include/fix_diam_max.h +include/fix_drag.h +include/fix_dt_reset.h +include/fix_dummy.h +include/fix_dummy2.h +include/fix_efield.h +include/fix_enforce2d.h +include/fix_external.h +include/fix_fiber_spring_simple.h +include/fix_freeze.h +include/fix_gravity.h +include/fix_heat_gran.h +include/fix_heat_gran_conduction.h +include/fix_insert.h +include/fix_insert_pack.h +include/fix_insert_rate_region.h +include/fix_insert_stream.h +include/fix_insert_stream_predefined.h +include/fix_lb_coupling_onetoone.h +include/fix_lineforce.h +include/fix_massflow_mesh.h +include/fix_massflow_mesh_sieve.h +include/fix_mesh.h +include/fix_mesh_surface.h +include/fix_minimize.h +include/fix_mixing.h +include/fix_momentum.h +include/fix_move.h +include/fix_move_mesh.h +include/fix_multicontact_halfspace.h +include/fix_multisphere.h +include/fix_multisphere_break.h +include/fix_multisphere_comm_I.h +include/fix_neighlist_mesh.h +include/fix_nve.h +include/fix_nve_asphere.h +include/fix_nve_asphere_base.h +include/fix_nve_asphere_noforce.h +include/fix_nve_limit.h +include/fix_nve_line.h +include/fix_nve_noforce.h +include/fix_nve_sph.h +include/fix_nve_sph_stationary.h +include/fix_nve_sphere.h +include/fix_nve_superquadric.h +include/fix_particledistribution_discrete.h +include/fix_planeforce.h +include/fix_print.h +include/fix_property_atom.h +include/fix_property_atom_region_tracer.h +include/fix_property_atom_tracer.h +include/fix_property_atom_tracer_stream.h +include/fix_property_global.h +include/fix_read_restart.h +include/fix_region_variable.h +include/fix_relax_contacts.h +include/fix_remove.h +include/fix_respa.h +include/fix_rigid.h +include/fix_scalar_transport_equation.h +include/fix_setforce.h +include/fix_sph.h +include/fix_sph_density_continuity.h +include/fix_sph_density_corr.h +include/fix_sph_density_summation.h +include/fix_sph_pressure.h +include/fix_spring.h +include/fix_spring_rg.h +include/fix_spring_self.h +include/fix_store.h +include/fix_store_force.h +include/fix_store_state.h +include/fix_template_multiplespheres.h +include/fix_template_multisphere.h +include/fix_template_sphere.h +include/fix_template_superquadric.h +include/fix_viscous.h +include/fix_wall.h +include/fix_wall_gran.h +include/fix_wall_gran_base.h +include/fix_wall_region.h +include/fix_wall_region_sph.h +include/fix_wall_sph.h +include/force.h +include/general_container.h +include/general_container_I.h +include/global_properties.h +include/granular_pair_style.h +include/granular_styles.h +include/granular_wall.h +include/group.h +include/histogram.h +include/image.h +include/improper.h +include/improper_hybrid.h +include/info.h +include/input.h +include/input_mesh_tet.h +include/input_mesh_tri.h +include/input_multisphere.h +include/integrate.h +include/irregular.h +include/kspace.h +include/lammps.h +include/lattice.h +include/library.h +include/library_cfd_coupling.h +include/lmptype.h +include/lmpwindows.h +include/math_complex.h +include/math_const.h +include/math_extra.h +include/math_extra_liggghts.h +include/math_extra_liggghts_nonspherical.h +include/math_extra_liggghts_superquadric.h +include/math_special.h +include/math_vector.h +include/memory.h +include/memory_ns.h +include/mesh_module.h +include/mesh_module_liquidtransfer.h +include/mesh_module_stress.h +include/mesh_module_stress_servo.h +include/mesh_mover.h +include/mesh_mover_linear.h +include/mesh_mover_rotation.h +include/min.h +include/min_cg.h +include/min_linesearch.h +include/minimize.h +include/modified_andrew.h +include/modify.h +include/mpi_liggghts.h +include/multi_node_mesh.h +include/multi_node_mesh_I.h +include/multi_node_mesh_parallel.h +include/multi_node_mesh_parallel_I.h +include/multi_node_mesh_parallel_buffer_I.h +include/multi_vector_container.h +include/multisphere.h +include/multisphere_I.h +include/multisphere_parallel.h +include/multisphere_parallel_I.h +include/my_page.h +include/my_pool_chunk.h +include/neigh_bond.h +include/neigh_derive.h +include/neigh_dummy.h +include/neigh_full.h +include/neigh_gran.h +include/neigh_half_bin.h +include/neigh_half_multi.h +include/neigh_half_nsq.h +include/neigh_list.h +include/neigh_mlg_dummy.h +include/neigh_modify.h +include/neigh_multi_level_grid.h +include/neigh_request.h +include/neigh_respa.h +include/neighbor.h +include/normal_model_base.h +include/normal_model_edinburgh.h +include/normal_model_edinburgh_stiffness.h +include/normal_model_hertz.h +include/normal_model_hertz_stiffness.h +include/normal_model_hooke.h +include/normal_model_hooke_hysteresis.h +include/normal_model_hooke_stiffness.h +include/normal_model_luding.h +include/normal_model_thornton_ning.h +include/os_specific.h +include/output.h +include/pack.h +include/pair.h +include/pair_gran.h +include/pair_gran_base.h +include/pair_gran_proxy.h +include/pair_hybrid.h +include/pair_hybrid_overlay.h +include/pair_line_lj.h +include/pair_soft.h +include/pair_sph.h +include/pair_sph_artvisc_tenscorr.h +include/particleToInsert.h +include/particleToInsertSuperquadric.h +include/particleToInsert_multisphere.h +include/pointers.h +include/primitive_wall.h +include/primitive_wall_definitions.h +include/probability_distribution.h +include/procmap.h +include/properties.h +include/property_registry.h +include/random.h +include/random_mars.h +include/random_park.h +include/read_data.h +include/read_dump.h +include/read_restart.h +include/reader.h +include/reader_native.h +include/reader_xyz.h +include/region.h +include/region_block.h +include/region_cone.h +include/region_cylinder.h +include/region_intersect.h +include/region_mesh_tet.h +include/region_mesh_tet_I.h +include/region_neighbor_list.h +include/region_neighbor_list_I.h +include/region_neighbor_list_base.h +include/region_neighbor_list_definitions.h +include/region_plane.h +include/region_prism.h +include/region_sphere.h +include/region_union.h +include/region_wedge.h +include/replicate.h +include/respa.h +include/rolling_model_base.h +include/rolling_model_cdt.h +include/rolling_model_epsd.h +include/rolling_model_epsd2.h +include/rolling_model_epsd3.h +include/rolling_model_luding.h +include/rotate.h +include/run.h +include/run_time.h +include/scalar_container.h +include/set.h +include/settings.h +include/signal_handling.h +include/sort_buffer.h +include/special.h +include/sph_kernel_cubicspline.h +include/sph_kernel_cubicspline2D.h +include/sph_kernel_spiky.h +include/sph_kernel_spiky2D.h +include/sph_kernel_wendland.h +include/sph_kernel_wendland2D.h +include/sph_kernels.h +include/string_liggghts.h +include/suffix.h +include/superquadric.h +include/surface_mesh.h +include/surface_mesh_I.h +include/surface_mesh_feature_remove.h +include/surface_mesh_feature_remove_I.h +include/surface_model_base.h +include/surface_model_default.h +include/surface_model_multicontact.h +include/surface_model_superquadric.h +include/tangential_model_base.h +include/tangential_model_history.h +include/tangential_model_luding_tn.h +include/tangential_model_no_history.h +include/tet_mesh.h +include/tet_mesh_I.h +include/thermo.h +include/timer.h +include/tracking_mesh.h +include/tracking_mesh_I.h +include/tri_line.h +include/tri_mesh.h +include/tri_mesh_I.h +include/tri_mesh_I_superquadric.h +include/tri_mesh_deform.h +include/tri_mesh_planar.h +include/tri_mesh_planar_I.h +include/universe.h +include/update.h +include/utils.h +include/variable.h +include/vector_container.h +include/vector_liggghts.h +include/velocity.h +include/verlet.h +include/version.h +include/volume_mesh.h +include/volume_mesh_I.h +include/write_data.h +include/write_dump.h +include/write_restart.h +lib/libliggghts.so Property changes on: head/science/liggghts/pkg-plist ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property