Index: head/science/Makefile =================================================================== --- head/science/Makefile (revision 506954) +++ head/science/Makefile (revision 506955) @@ -1,334 +1,335 @@ # $FreeBSD$ # COMMENT = Scientific ports SUBDIR += 2d-rewriter SUBDIR += ALPSCore SUBDIR += InsightToolkit 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 += agrum SUBDIR += aircraft-datcom SUBDIR += antioch SUBDIR += apbs SUBDIR += atom SUBDIR += atompaw SUBDIR += avogadro2 SUBDIR += avogadrolibs SUBDIR += bagel SUBDIR += bddsolve SUBDIR += berkeleygw 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 += code_saturne SUBDIR += colt SUBDIR += coordgenlibs SUBDIR += coot SUBDIR += cp2k SUBDIR += cp2k-data SUBDIR += crf++ SUBDIR += dalton SUBDIR += datawarrior SUBDIR += dcl SUBDIR += devisor SUBDIR += dftbplus SUBDIR += dkh SUBDIR += dlib-cpp SUBDIR += dlpoly-classic SUBDIR += drawxtl SUBDIR += dvc SUBDIR += eccodes SUBDIR += elk SUBDIR += epte SUBDIR += erd SUBDIR += erkale SUBDIR += erkale-pseudopotentials SUBDIR += esys-particle SUBDIR += fastcap SUBDIR += fasthenry SUBDIR += fisicalab SUBDIR += fleur SUBDIR += fsom SUBDIR += fvcom SUBDIR += fvcom-mpi 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 += h5z-zfp SUBDIR += harminv SUBDIR += hdf SUBDIR += hdf5 SUBDIR += hdf5-18 SUBDIR += healpix SUBDIR += hypre SUBDIR += iboview SUBDIR += isaac-cfd SUBDIR += jdftx SUBDIR += jmol SUBDIR += jstrack SUBDIR += kalzium + SUBDIR += kim-api 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 += libvdwxc SUBDIR += libxc SUBDIR += liggghts 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 += metaf2xml SUBDIR += metaphysicl SUBDIR += minc2 SUBDIR += mmdb2 SUBDIR += mmtf-cpp SUBDIR += mol2ps SUBDIR += molgif SUBDIR += molscript SUBDIR += molsketch SUBDIR += mpb SUBDIR += mpqc SUBDIR += msms SUBDIR += multiwfn SUBDIR += namd SUBDIR += nest SUBDIR += netcdf SUBDIR += netcdf-cxx SUBDIR += netcdf-fortran SUBDIR += nifticlib SUBDIR += nwchem SUBDIR += nwchem-data SUBDIR += octopus SUBDIR += openbabel SUBDIR += openkim SUBDIR += openmx SUBDIR += opensim-core SUBDIR += opensph SUBDIR += opsin 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 += pagmo2 SUBDIR += paje SUBDIR += paraview SUBDIR += pcmsolver SUBDIR += pnetcdf SUBDIR += psychopy SUBDIR += pulseview SUBDIR += py-DendroPy SUBDIR += py-GPy SUBDIR += py-GPyOpt SUBDIR += py-MDAnalysis SUBDIR += py-MDAnalysisTests SUBDIR += py-OpenFermion SUBDIR += py-PyFR SUBDIR += py-PyQuante SUBDIR += py-ScientificPython SUBDIR += py-SimpleSpectral SUBDIR += py-abipy SUBDIR += py-asdf SUBDIR += py-ase SUBDIR += py-avogadrolibs SUBDIR += py-cdo SUBDIR += py-chempy SUBDIR += py-coards SUBDIR += py-dlib SUBDIR += py-eccodes-python SUBDIR += py-geometer SUBDIR += py-gpaw SUBDIR += py-gsd SUBDIR += py-h5py SUBDIR += py-hcluster SUBDIR += py-kinematics SUBDIR += py-lifelines SUBDIR += py-mdp SUBDIR += py-mlpy SUBDIR += py-mmtf-python SUBDIR += py-molmod SUBDIR += py-netCDF4 SUBDIR += py-obspy SUBDIR += py-oddt SUBDIR += py-openpiv SUBDIR += py-paida SUBDIR += py-paramz SUBDIR += py-phono3py SUBDIR += py-phonopy SUBDIR += py-pupynere SUBDIR += py-pyaixi SUBDIR += py-pydicom SUBDIR += py-pygeodesy SUBDIR += py-pymatgen SUBDIR += py-pymol SUBDIR += py-pyosf SUBDIR += py-pysal SUBDIR += py-pyteomics SUBDIR += py-pyteomics.biolccc SUBDIR += py-qcelemental SUBDIR += py-qcengine SUBDIR += py-qspin SUBDIR += py-quantities SUBDIR += py-rmf SUBDIR += py-rmsd SUBDIR += py-ruffus 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 += quantum-espresso SUBDIR += quantum-espresso-pseudopotentials 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 += scidavis SUBDIR += siesta SUBDIR += sigrok-cli SUBDIR += sigrok-firmware SUBDIR += sigrok-firmware-fx2lafw SUBDIR += sigrok-firmware-utils SUBDIR += silo SUBDIR += simbody SUBDIR += simgrid SUBDIR += simint SUBDIR += simlib SUBDIR += simsmith SUBDIR += smoldyn SUBDIR += sparta SUBDIR += spglib SUBDIR += step SUBDIR += svmlight SUBDIR += szip SUBDIR += teem SUBDIR += tfel SUBDIR += tinker SUBDIR += udunits SUBDIR += v_sim SUBDIR += vipster SUBDIR += vmd SUBDIR += voro++ SUBDIR += wannier90 SUBDIR += wxmacmolplt SUBDIR += xcrysden SUBDIR += xdrawchem SUBDIR += xfce4-equake-plugin SUBDIR += xmakemol SUBDIR += yoda .include Index: head/science/kim-api/Makefile =================================================================== --- head/science/kim-api/Makefile (nonexistent) +++ head/science/kim-api/Makefile (revision 506955) @@ -0,0 +1,19 @@ +# $FreeBSD$ + +PORTNAME= kim-api +DISTVERSION= 2.1.0 +CATEGORIES= science +MASTER_SITES= https://s3.openkim.org/kim-api/ + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Framework for reliable, reproducible, portable molecular simulations + +LICENSE= CDDL +LICENSE_FILE= ${WRKSRC}/LICENSE.CDDL + +BUILD_DEPENDS= xxd:editors/vim-console + +USES= cmake:noninja fortran tar:txz +USE_LDCONFIG= yes + +.include Property changes on: head/science/kim-api/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/kim-api/distinfo =================================================================== --- head/science/kim-api/distinfo (nonexistent) +++ head/science/kim-api/distinfo (revision 506955) @@ -0,0 +1,3 @@ +TIMESTAMP = 1563556754 +SHA256 (kim-api-2.1.0.txz) = d6b154b31b288ec0a5643db176950ed71f1ca83a146af210a1d5d01cce8ce958 +SIZE (kim-api-2.1.0.txz) = 294092 Property changes on: head/science/kim-api/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/kim-api/pkg-descr =================================================================== --- head/science/kim-api/pkg-descr (nonexistent) +++ head/science/kim-api/pkg-descr (revision 506955) @@ -0,0 +1,8 @@ +OpenKIM is an online framework for making molecular simulations reliable, +reproducible, and portable. Computer implementations of interatomic models are +archived in OpenKIM, verified for coding integrity, and tested by computing +their predictions for a variety of material properties. Models conforming to the +KIM application programming interface (API) work seamlessly with major +simulation codes that have adopted the KIM API standard. + +WWW: https://openkim.org/ Property changes on: head/science/kim-api/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/kim-api/pkg-plist =================================================================== --- head/science/kim-api/pkg-plist (nonexistent) +++ head/science/kim-api/pkg-plist (revision 506955) @@ -0,0 +1,147 @@ +bin/kim-api-collections-management +etc/bash_completion.d/kim-api-collections-management.bash +include/kim-api/KIM_ChargeUnit.h +include/kim-api/KIM_ChargeUnit.hpp +include/kim-api/KIM_Collection.h +include/kim-api/KIM_Collection.hpp +include/kim-api/KIM_CollectionItemType.h +include/kim-api/KIM_CollectionItemType.hpp +include/kim-api/KIM_Collections.h +include/kim-api/KIM_Collections.hpp +include/kim-api/KIM_ComputeArgumentName.h +include/kim-api/KIM_ComputeArgumentName.hpp +include/kim-api/KIM_ComputeArguments.h +include/kim-api/KIM_ComputeArguments.hpp +include/kim-api/KIM_ComputeCallbackName.h +include/kim-api/KIM_ComputeCallbackName.hpp +include/kim-api/KIM_DataType.h +include/kim-api/KIM_DataType.hpp +include/kim-api/KIM_EnergyUnit.h +include/kim-api/KIM_EnergyUnit.hpp +include/kim-api/KIM_FunctionTypes.h +include/kim-api/KIM_FunctionTypes.hpp +include/kim-api/KIM_LOG_DEFINES.inc +include/kim-api/KIM_LanguageName.h +include/kim-api/KIM_LanguageName.hpp +include/kim-api/KIM_LengthUnit.h +include/kim-api/KIM_LengthUnit.hpp +include/kim-api/KIM_Log.h +include/kim-api/KIM_Log.hpp +include/kim-api/KIM_LogMacros.h +include/kim-api/KIM_LogMacros.hpp +include/kim-api/KIM_LogVerbosity.h +include/kim-api/KIM_LogVerbosity.hpp +include/kim-api/KIM_Model.h +include/kim-api/KIM_Model.hpp +include/kim-api/KIM_ModelCompute.h +include/kim-api/KIM_ModelCompute.hpp +include/kim-api/KIM_ModelComputeArguments.h +include/kim-api/KIM_ModelComputeArguments.hpp +include/kim-api/KIM_ModelComputeArgumentsCreate.h +include/kim-api/KIM_ModelComputeArgumentsCreate.hpp +include/kim-api/KIM_ModelComputeArgumentsDestroy.h +include/kim-api/KIM_ModelComputeArgumentsDestroy.hpp +include/kim-api/KIM_ModelCreate.h +include/kim-api/KIM_ModelCreate.hpp +include/kim-api/KIM_ModelDestroy.h +include/kim-api/KIM_ModelDestroy.hpp +include/kim-api/KIM_ModelDriverCreate.h +include/kim-api/KIM_ModelDriverCreate.hpp +include/kim-api/KIM_ModelDriverHeaders.h +include/kim-api/KIM_ModelDriverHeaders.hpp +include/kim-api/KIM_ModelExtension.h +include/kim-api/KIM_ModelExtension.hpp +include/kim-api/KIM_ModelHeaders.h +include/kim-api/KIM_ModelHeaders.hpp +include/kim-api/KIM_ModelRefresh.h +include/kim-api/KIM_ModelRefresh.hpp +include/kim-api/KIM_ModelRoutineName.h +include/kim-api/KIM_ModelRoutineName.hpp +include/kim-api/KIM_ModelWriteParameterizedModel.h +include/kim-api/KIM_ModelWriteParameterizedModel.hpp +include/kim-api/KIM_Numbering.h +include/kim-api/KIM_Numbering.hpp +include/kim-api/KIM_SemVer.h +include/kim-api/KIM_SemVer.hpp +include/kim-api/KIM_SimulatorHeaders.h +include/kim-api/KIM_SimulatorHeaders.hpp +include/kim-api/KIM_SimulatorModel.h +include/kim-api/KIM_SimulatorModel.hpp +include/kim-api/KIM_SpeciesName.h +include/kim-api/KIM_SpeciesName.hpp +include/kim-api/KIM_SupportStatus.h +include/kim-api/KIM_SupportStatus.hpp +include/kim-api/KIM_SupportedExtensions.h +include/kim-api/KIM_SupportedExtensions.hpp +include/kim-api/KIM_TemperatureUnit.h +include/kim-api/KIM_TemperatureUnit.hpp +include/kim-api/KIM_TimeUnit.h +include/kim-api/KIM_TimeUnit.hpp +include/kim-api/KIM_UnitSystem.h +include/kim-api/KIM_UnitSystem.hpp +include/kim-api/KIM_Version.h +include/kim-api/KIM_Version.hpp +lib/kim-api/cmake/KIM_SharedLibrarySchema.hpp +lib/kim-api/cmake/item-compiled-with-version.txt.in +lib/kim-api/cmake/item-info.txt.in +lib/kim-api/cmake/item-wrapper.cpp.in +lib/kim-api/mod/kim_charge_unit_module.mod +lib/kim-api/mod/kim_collection_item_type_module.mod +lib/kim-api/mod/kim_collection_module.mod +lib/kim-api/mod/kim_collections_module.mod +lib/kim-api/mod/kim_compute_argument_name_module.mod +lib/kim-api/mod/kim_compute_arguments_module.mod +lib/kim-api/mod/kim_compute_callback_name_module.mod +lib/kim-api/mod/kim_data_type_module.mod +lib/kim-api/mod/kim_energy_unit_module.mod +lib/kim-api/mod/kim_language_name_module.mod +lib/kim-api/mod/kim_length_unit_module.mod +lib/kim-api/mod/kim_log_module.mod +lib/kim-api/mod/kim_log_verbosity_module.mod +lib/kim-api/mod/kim_model_compute_arguments_create_module.mod +lib/kim-api/mod/kim_model_compute_arguments_destroy_module.mod +lib/kim-api/mod/kim_model_compute_arguments_module.mod +lib/kim-api/mod/kim_model_compute_module.mod +lib/kim-api/mod/kim_model_create_module.mod +lib/kim-api/mod/kim_model_destroy_module.mod +lib/kim-api/mod/kim_model_driver_create_module.mod +lib/kim-api/mod/kim_model_driver_headers_module.mod +lib/kim-api/mod/kim_model_extension_module.mod +lib/kim-api/mod/kim_model_headers_module.mod +lib/kim-api/mod/kim_model_module.mod +lib/kim-api/mod/kim_model_refresh_module.mod +lib/kim-api/mod/kim_model_routine_name_module.mod +lib/kim-api/mod/kim_model_write_parameterized_model_module.mod +lib/kim-api/mod/kim_numbering_module.mod +lib/kim-api/mod/kim_sem_ver_module.mod +lib/kim-api/mod/kim_simulator_headers_module.mod +lib/kim-api/mod/kim_simulator_model_module.mod +lib/kim-api/mod/kim_species_name_module.mod +lib/kim-api/mod/kim_support_status_module.mod +lib/kim-api/mod/kim_supported_extensions_module.mod +lib/kim-api/mod/kim_temperature_unit_module.mod +lib/kim-api/mod/kim_time_unit_module.mod +lib/kim-api/mod/kim_unit_system_module.mod +lib/kim-api/model-drivers/LennardJones612__MD_414112407348_003/libkim-api-model-driver.so +lib/kim-api/model-drivers/ex_model_driver_P_LJ/libkim-api-model-driver.so +lib/kim-api/model-drivers/ex_model_driver_P_Morse/libkim-api-model-driver.so +lib/kim-api/portable-models/LennardJones612_UniversalShifted__MO_959249795837_003/libkim-api-portable-model.so +lib/kim-api/portable-models/LennardJones_Ar/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_P_LJ/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_P_MLJ_Fortran/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_P_Morse/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_P_Morse_07C/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_P_Morse_07C_w_Extensions/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_P_Morse_MultiCutoff/libkim-api-portable-model.so +lib/kim-api/portable-models/ex_model_Ar_SLJ_MultiCutoff/libkim-api-portable-model.so +lib/kim-api/simulator-models/Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu/libkim-api-simulator-model.so +lib/libkim-api.so +lib/libkim-api.so.2 +libdata/pkgconfig/libkim-api.pc +libexec/kim-api/kim-api-collections-info +libexec/kim-api/kim-api-shared-library-test +libexec/kim-api/kim-api-simulator-model +share/cmake/Modules/FindKIM-API.cmake +share/cmake/kim-api/kim-api-config-version.cmake +share/cmake/kim-api/kim-api-config.cmake +share/emacs/site-lisp/kim-api/kim-api-c-style.el Property changes on: head/science/kim-api/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