Index: head/science/Makefile =================================================================== --- head/science/Makefile (revision 563779) +++ head/science/Makefile (revision 563780) @@ -1,358 +1,359 @@ # $FreeBSD$ # 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-FAdist 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 += atompaw SUBDIR += avogadro2 SUBDIR += avogadrolibs SUBDIR += axom SUBDIR += bagel SUBDIR += bddsolve SUBDIR += berkeleygw SUBDIR += bodr SUBDIR += buddy SUBDIR += cdcl SUBDIR += cdf SUBDIR += cdk 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 += conduit SUBDIR += coordgenlibs SUBDIR += cp2k SUBDIR += cp2k-data SUBDIR += crf++ SUBDIR += dalton SUBDIR += dcl SUBDIR += devisor SUBDIR += dftbplus SUBDIR += dkh SUBDIR += dlib-cpp SUBDIR += drawxtl SUBDIR += dvc SUBDIR += eccodes SUBDIR += elk SUBDIR += elmerfem SUBDIR += epte SUBDIR += erd SUBDIR += ergo SUBDIR += erkale SUBDIR += erkale-pseudopotentials SUBDIR += fastcap SUBDIR += fasthenry SUBDIR += fastjet SUBDIR += fisicalab 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 += h5utils SUBDIR += h5z-zfp SUBDIR += harminv SUBDIR += hdf SUBDIR += hdf5 SUBDIR += hdf5-18 SUBDIR += healpix SUBDIR += hepmc3 SUBDIR += highfive 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 += luscus SUBDIR += madness SUBDIR += maeparser SUBDIR += massxpert SUBDIR += mbdyn SUBDIR += mcstas SUBDIR += mcstas-comps SUBDIR += mcxtrace SUBDIR += mcxtrace-comps SUBDIR += mdynamix SUBDIR += medit 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 += openkim-models 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-WebService-Elevation-USGS SUBDIR += p5-Mcstas-Tools SUBDIR += p5-PerlMol SUBDIR += p5-Physics-Unit SUBDIR += packmol SUBDIR += pagmo2 SUBDIR += paje SUBDIR += pcmsolver SUBDIR += plumed SUBDIR += pnetcdf 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-SimpleSpectral SUBDIR += py-abipy SUBDIR += py-access SUBDIR += py-asdf SUBDIR += py-ase SUBDIR += py-avogadrolibs SUBDIR += py-cdo SUBDIR += py-chainer SUBDIR += py-chainer-chemistry SUBDIR += py-chempy SUBDIR += py-coards SUBDIR += py-dipy SUBDIR += py-dlib SUBDIR += py-eccodes SUBDIR += py-esda SUBDIR += py-geolinks SUBDIR += py-geomet SUBDIR += py-geometer SUBDIR += py-geometric SUBDIR += py-gpaw SUBDIR += py-gsd SUBDIR += py-h5json SUBDIR += py-h5py SUBDIR += py-inequality SUBDIR += py-jupyter_jsmol SUBDIR += py-kim-query SUBDIR += py-kinematics SUBDIR += py-kliff SUBDIR += py-liac-arff SUBDIR += py-libpysal SUBDIR += py-lifelines SUBDIR += py-mdp SUBDIR += py-mmtf-python SUBDIR += py-molmod SUBDIR += py-moltemplate SUBDIR += py-netCDF4 SUBDIR += py-netcdf-flattener SUBDIR += py-nibabel SUBDIR += py-nilearn 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-pycsw SUBDIR += py-pydicom SUBDIR += py-pygeodesy SUBDIR += py-pygeometa SUBDIR += py-pygmo2 SUBDIR += py-pymatgen SUBDIR += py-pymol SUBDIR += py-pyosf SUBDIR += py-pysal SUBDIR += py-pyteomics 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-optimize SUBDIR += py-scikit-sparse SUBDIR += py-scimath SUBDIR += py-scipy SUBDIR += py-scoria SUBDIR += py-segregation SUBDIR += py-segyio SUBDIR += py-spaghetti SUBDIR += py-spglib SUBDIR += py-tensorflow SUBDIR += py-tobler SUBDIR += py-veusz SUBDIR += pybrain SUBDIR += pynn SUBDIR += qbox SUBDIR += qcl SUBDIR += qiskit-aer 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 += segyio SUBDIR += shelxle 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 += thermofun SUBDIR += tfel-edf SUBDIR += tinker SUBDIR += udunits SUBDIR += v_sim SUBDIR += vipster SUBDIR += vmd SUBDIR += voro++ SUBDIR += votca SUBDIR += wannier90 SUBDIR += wwplot SUBDIR += wxmacmolplt SUBDIR += xcrysden SUBDIR += xdrawchem SUBDIR += xtb SUBDIR += yoda .include Index: head/science/thermofun/Makefile =================================================================== --- head/science/thermofun/Makefile (nonexistent) +++ head/science/thermofun/Makefile (revision 563780) @@ -0,0 +1,24 @@ +# $FreeBSD$ + +PORTNAME= thermofun +DISTVERSIONPREFIX= v +DISTVERSION= 0.3.6 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Code for calculating thermodynamic properties of materials + +LICENSE= LGPL3 +LICENSE_FILE= ${WRKSRC}/COPYING + +BUILD_DEPENDS= nlohmann-json>0:devel/nlohmann-json + +USES= cmake compiler:c++14-lang +USE_LDCONFIG= yes + +USE_GITHUB= yes +GH_ACCOUNT= thermohub + +CMAKE_OFF= TFUN_BUILD_PYTHON + +.include Property changes on: head/science/thermofun/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/thermofun/distinfo =================================================================== --- head/science/thermofun/distinfo (nonexistent) +++ head/science/thermofun/distinfo (revision 563780) @@ -0,0 +1,3 @@ +TIMESTAMP = 1612225842 +SHA256 (thermohub-thermofun-v0.3.6_GH0.tar.gz) = 083e55f1c142344870de9fe9638e5d14e541f33cf0968b681f1ee857ea2e17a0 +SIZE (thermohub-thermofun-v0.3.6_GH0.tar.gz) = 1195683 Property changes on: head/science/thermofun/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/thermofun/pkg-descr =================================================================== --- head/science/thermofun/pkg-descr (nonexistent) +++ head/science/thermofun/pkg-descr (revision 563780) @@ -0,0 +1,4 @@ +A code for calculating the standard state thermodynamic properties at a given +temperature and pressure. + +WWW: https://github.com/thermohub/thermofun Property changes on: head/science/thermofun/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/thermofun/pkg-plist =================================================================== --- head/science/thermofun/pkg-plist (nonexistent) +++ head/science/thermofun/pkg-plist (revision 563780) @@ -0,0 +1,72 @@ +include/ThermoFun/Batch/OutputBatch.h +include/ThermoFun/Batch/ThermoBatch.h +include/ThermoFun/Common/Exception.h +include/ThermoFun/Common/OutputToCSV.h +include/ThermoFun/Common/OutputWaterSteamConventionProp.h +include/ThermoFun/Common/ParseJsonToData.h +include/ThermoFun/Common/ScalarTypes.hpp +include/ThermoFun/Common/ThermoOmp.h +include/ThermoFun/Common/ThermoScalar.hpp +include/ThermoFun/Common/Units.hpp +include/ThermoFun/Common/formuladata.h +include/ThermoFun/Common/formulaparser.h +include/ThermoFun/Database.h +include/ThermoFun/ElectroModelsSolvent.h +include/ThermoFun/Element.h +include/ThermoFun/GlobalVariables.h +include/ThermoFun/OptimizationUtils.h +include/ThermoFun/Reaction.h +include/ThermoFun/Reactions/DolejsManning2010.h +include/ThermoFun/Reactions/FrantzMarshall.h +include/ThermoFun/Reactions/LogK_function_of_T.h +include/ThermoFun/Reactions/RyzhenkoBryzgalyn.h +include/ThermoFun/Reactions/Volume_function_of_T.h +include/ThermoFun/Substance.h +include/ThermoFun/Substances/EmpiricalCpIntegration.h +include/ThermoFun/Substances/Gases/GasCGF.h +include/ThermoFun/Substances/Gases/GasCORK.h +include/ThermoFun/Substances/Gases/GasPR78.h +include/ThermoFun/Substances/Gases/GasPRSV.h +include/ThermoFun/Substances/Gases/GasSRK.h +include/ThermoFun/Substances/Gases/GasSTP.h +include/ThermoFun/Substances/Gases/s_solmod_.h +include/ThermoFun/Substances/Gases/verror.h +include/ThermoFun/Substances/Solids/SolidBMGottschalk.h +include/ThermoFun/Substances/Solids/SolidBerman88.h +include/ThermoFun/Substances/Solids/SolidHPLandau.h +include/ThermoFun/Substances/Solids/SolidMurnaghanHP98.h +include/ThermoFun/Substances/Solute/SoluteADgems.h +include/ThermoFun/Substances/Solute/SoluteAnderson91.h +include/ThermoFun/Substances/Solute/SoluteHKFgems.h +include/ThermoFun/Substances/Solute/SoluteHKFreaktoro.h +include/ThermoFun/Substances/Solute/SoluteHollandPowell98.h +include/ThermoFun/Substances/Solvent/Reaktoro/WaterConstants.hpp +include/ThermoFun/Substances/Solvent/Reaktoro/WaterElectroState.hpp +include/ThermoFun/Substances/Solvent/Reaktoro/WaterElectroStateJohnsonNorton.hpp +include/ThermoFun/Substances/Solvent/Reaktoro/WaterHelmholtzState.hpp +include/ThermoFun/Substances/Solvent/Reaktoro/WaterHelmholtzStateHGK.hpp +include/ThermoFun/Substances/Solvent/Reaktoro/WaterHelmholtzStateWagnerPruss.hpp +include/ThermoFun/Substances/Solvent/Reaktoro/WaterThermoState.hpp +include/ThermoFun/Substances/Solvent/Reaktoro/WaterThermoStateUtils.hpp +include/ThermoFun/Substances/Solvent/Reaktoro/WaterUtils.hpp +include/ThermoFun/Substances/Solvent/WaterElectroFernandez1997.h +include/ThermoFun/Substances/Solvent/WaterElectroSverjensky2014.h +include/ThermoFun/Substances/Solvent/WaterHGK-JNgems.h +include/ThermoFun/Substances/Solvent/WaterHGKreaktoro.h +include/ThermoFun/Substances/Solvent/WaterIdealGasWolley.h +include/ThermoFun/Substances/Solvent/WaterJN91reaktoro.h +include/ThermoFun/Substances/Solvent/WaterWP95reaktoro.h +include/ThermoFun/Substances/Solvent/WaterZhangDuan2005.h +include/ThermoFun/Substances/StandardEntropyCpIntegration.h +include/ThermoFun/ThermoEngine.h +include/ThermoFun/ThermoFun.h +include/ThermoFun/ThermoModelsReaction.h +include/ThermoFun/ThermoModelsSolvent.h +include/ThermoFun/ThermoModelsSubstance.h +include/ThermoFun/ThermoParameters.h +include/ThermoFun/ThermoProperties.h +lib/cmake/ThermoFun/ThermoFunConfig.cmake +lib/cmake/ThermoFun/ThermoFunConfigVersion.cmake +lib/cmake/ThermoFun/ThermoFunTargets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/ThermoFun/ThermoFunTargets.cmake +lib/libThermoFun.so Property changes on: head/science/thermofun/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