Index: head/science/Makefile =================================================================== --- head/science/Makefile (revision 454183) +++ head/science/Makefile (revision 454184) @@ -1,202 +1,203 @@ # $FreeBSD$ # COMMENT = Scientific ports SUBDIR += 2d-rewriter SUBDIR += InsightToolkit 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-kernlab SUBDIR += R-cran-snow SUBDIR += R-cran-som SUBDIR += R-cran-udunits2 SUBDIR += afni SUBDIR += avogadro 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 += chemtool SUBDIR += chemtool-devel SUBDIR += clhep SUBDIR += colt SUBDIR += crf++ SUBDIR += dcl SUBDIR += devisor SUBDIR += dkh SUBDIR += dlpoly-classic SUBDIR += ecs SUBDIR += epte SUBDIR += fastcap SUBDIR += fasthenry SUBDIR += fisicalab SUBDIR += fvcom SUBDIR += fvcom-mpi SUBDIR += fvm SUBDIR += gchemutils SUBDIR += getdp SUBDIR += ghemical SUBDIR += ghmm SUBDIR += gnudatalanguage 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 += hs-bio SUBDIR += hypre SUBDIR += iboview SUBDIR += isaac-cfd SUBDIR += jstrack SUBDIR += kalzium SUBDIR += kst2 SUBDIR += lamprop SUBDIR += libaec SUBDIR += libctl SUBDIR += libefp SUBDIR += libgeodecomp SUBDIR += libghemical SUBDIR += libint SUBDIR += libkml SUBDIR += liblinear SUBDIR += liboglappth SUBDIR += libquantum SUBDIR += libsvm SUBDIR += libsvm-python SUBDIR += libxc SUBDIR += linsmith SUBDIR += massxpert SUBDIR += mbdyn SUBDIR += mcstas SUBDIR += mcstas-comps SUBDIR += medit SUBDIR += meep SUBDIR += mei SUBDIR += metaf2xml SUBDIR += minc2 SUBDIR += mol2ps SUBDIR += mpb SUBDIR += mpqc SUBDIR += mpqc-mpich SUBDIR += ncs SUBDIR += netcdf SUBDIR += netcdf-cxx SUBDIR += netcdf-fortran SUBDIR += nifticlib SUBDIR += openbabel SUBDIR += openkim SUBDIR += orthanc SUBDIR += orthanc-dicomweb SUBDIR += orthanc-postgresql SUBDIR += orthanc-webviewer 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-cdo SUBDIR += py-coards SUBDIR += py-h5py SUBDIR += py-hcluster SUBDIR += py-mdp SUBDIR += py-mlpy SUBDIR += py-netCDF4 SUBDIR += py-obspy SUBDIR += py-paida SUBDIR += py-pupynere SUBDIR += py-pyaixi SUBDIR += py-pydicom SUBDIR += py-pysal SUBDIR += py-pyteomics SUBDIR += py-pyteomics.biolccc SUBDIR += py-qspin SUBDIR += py-scikit-fuzzy SUBDIR += py-scikit-learn SUBDIR += py-scikit-sparse SUBDIR += py-scimath SUBDIR += py-scipy SUBDIR += py-tensorflow SUBDIR += py-ws2300 SUBDIR += pybrain SUBDIR += pycdf SUBDIR += pynn SUBDIR += qcl SUBDIR += qtresistors SUBDIR += rubygem-ai4r SUBDIR += rubygem-cdo SUBDIR += rubygem-ruby-dcl SUBDIR += rubygem-ruby-netcdf SUBDIR += sigrok-cli SUBDIR += sigrok-firmware SUBDIR += sigrok-firmware-fx2lafw SUBDIR += sigrok-firmware-utils SUBDIR += silo SUBDIR += simlib SUBDIR += simsmith SUBDIR += step SUBDIR += svmlight SUBDIR += szip SUBDIR += tfel SUBDIR += udunits SUBDIR += v_sim SUBDIR += veusz SUBDIR += vmd SUBDIR += voro++ SUBDIR += xfce4-equake-plugin SUBDIR += xmakemol .include Index: head/science/pcmsolver/Makefile =================================================================== --- head/science/pcmsolver/Makefile (nonexistent) +++ head/science/pcmsolver/Makefile (revision 454184) @@ -0,0 +1,23 @@ +# $FreeBSD$ + +PORTNAME= pcmsolver +DISTVERSIONPREFIX= v +DISTVERSION= 1.1.11 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= API for the Polarizable Continuum Model + +LICENSE= GPLv3 +LICENSE_FILE= ${WRKSRC}/LICENSE + +USES= cmake:outsource fortran python +USE_GITHUB= yes +GH_ACCOUNT= PCMSolver +USE_LDCONFIG= yes + +post-patch: + @${REINPLACE_CMD} -e 's|"-O3 |"$${CMAKE_C_FLAGS} |' \ + ${WRKSRC}/cmake/custom/compilers/*.cmake + +.include Property changes on: head/science/pcmsolver/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/pcmsolver/distinfo =================================================================== --- head/science/pcmsolver/distinfo (nonexistent) +++ head/science/pcmsolver/distinfo (revision 454184) @@ -0,0 +1,3 @@ +TIMESTAMP = 1510551005 +SHA256 (PCMSolver-pcmsolver-v1.1.11_GH0.tar.gz) = c6af7d2a3ac8c09fc1835c952877b3444601c387a802b749668d162bb6ac6f36 +SIZE (PCMSolver-pcmsolver-v1.1.11_GH0.tar.gz) = 98167952 Property changes on: head/science/pcmsolver/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/pcmsolver/pkg-descr =================================================================== --- head/science/pcmsolver/pkg-descr (nonexistent) +++ head/science/pcmsolver/pkg-descr (revision 454184) @@ -0,0 +1,6 @@ +PCMSolver is a quantum chemistry library that aims to: +* Provide a plug-and-play library for adding the Polarizable Continuum Model + functionality to any quantum chemistry program +* Create a playground for easily extending the implementation of the model + +WWW: https://github.com/PCMSolver/pcmsolver Property changes on: head/science/pcmsolver/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/pcmsolver/pkg-plist =================================================================== --- head/science/pcmsolver/pkg-plist (nonexistent) +++ head/science/pcmsolver/pkg-plist (revision 454184) @@ -0,0 +1,104 @@ +bin/codata.py +bin/docopt.py +bin/getkw.py +bin/pcmsolver.py +bin/plot_cavity.py +bin/pyparsing.py +bin/run_pcm +include/PCMSolver/Citation.hpp +include/PCMSolver/Config.hpp +include/PCMSolver/Cxx11Workarounds.hpp +include/PCMSolver/ErrorHandling.hpp +include/PCMSolver/FCMangle.hpp +include/PCMSolver/GitInfo.hpp +include/PCMSolver/LoggerInterface.hpp +include/PCMSolver/PCMInput.h +include/PCMSolver/PCMSolverExport.h +include/PCMSolver/PhysicalConstants.hpp +include/PCMSolver/STLUtils.hpp +include/PCMSolver/TimerInterface.hpp +include/PCMSolver/bi_operators/BIOperatorData.hpp +include/PCMSolver/bi_operators/BoundaryIntegralOperator.hpp +include/PCMSolver/bi_operators/Collocation.hpp +include/PCMSolver/bi_operators/IBoundaryIntegralOperator.hpp +include/PCMSolver/bi_operators/Numerical.hpp +include/PCMSolver/bi_operators/Purisima.hpp +include/PCMSolver/cavity/Cavity.hpp +include/PCMSolver/cavity/CavityData.hpp +include/PCMSolver/cavity/Element.hpp +include/PCMSolver/cavity/GePolCavity.hpp +include/PCMSolver/cavity/ICavity.hpp +include/PCMSolver/cavity/RestartCavity.hpp +include/PCMSolver/external/libtaylor/CMakeLists.txt +include/PCMSolver/external/libtaylor/README +include/PCMSolver/external/libtaylor/ctaylor.hpp +include/PCMSolver/external/libtaylor/ctaylor_math.hpp +include/PCMSolver/external/libtaylor/example.cpp +include/PCMSolver/external/libtaylor/micromath.hpp +include/PCMSolver/external/libtaylor/polymul.hpp +include/PCMSolver/external/libtaylor/taylor.hpp +include/PCMSolver/external/libtaylor/taylor_math.hpp +include/PCMSolver/external/libtaylor/tmath.hpp +include/PCMSolver/external/libtaylor/unittest_taylor.cpp +include/PCMSolver/green/AnisotropicLiquid.hpp +include/PCMSolver/green/DerivativeTypes.hpp +include/PCMSolver/green/DerivativeUtils.hpp +include/PCMSolver/green/Green.hpp +include/PCMSolver/green/GreenData.hpp +include/PCMSolver/green/GreenUtils.hpp +include/PCMSolver/green/GreensFunction.hpp +include/PCMSolver/green/IGreensFunction.hpp +include/PCMSolver/green/InterfacesImpl.hpp +include/PCMSolver/green/IonicLiquid.hpp +include/PCMSolver/green/SphericalDiffuse.hpp +include/PCMSolver/green/SphericalSharp.hpp +include/PCMSolver/green/UniformDielectric.hpp +include/PCMSolver/green/Vacuum.hpp +include/PCMSolver/green/dielectric_profile/Anisotropic.hpp +include/PCMSolver/green/dielectric_profile/MembraneTanh.hpp +include/PCMSolver/green/dielectric_profile/Metal.hpp +include/PCMSolver/green/dielectric_profile/OneLayerErf.hpp +include/PCMSolver/green/dielectric_profile/OneLayerTanh.hpp +include/PCMSolver/green/dielectric_profile/ProfileTypes.hpp +include/PCMSolver/green/dielectric_profile/Sharp.hpp +include/PCMSolver/green/dielectric_profile/Uniform.hpp +include/PCMSolver/green/dielectric_profile/Yukawa.hpp +include/PCMSolver/interface/Input.hpp +include/PCMSolver/interface/Meddle.hpp +include/PCMSolver/pcmsolver.h +include/PCMSolver/solver/CPCMSolver.hpp +include/PCMSolver/solver/IEFSolver.hpp +include/PCMSolver/solver/ISolver.hpp +include/PCMSolver/solver/Solver.hpp +include/PCMSolver/solver/SolverData.hpp +include/PCMSolver/solver/SolverImpl.hpp +include/PCMSolver/utils/Atom.hpp +include/PCMSolver/utils/ChargeDistribution.hpp +include/PCMSolver/utils/Factory.hpp +include/PCMSolver/utils/ForId.hpp +include/PCMSolver/utils/FortranCUtils.hpp +include/PCMSolver/utils/Logger.hpp +include/PCMSolver/utils/LoggerImpl.hpp +include/PCMSolver/utils/MathUtils.hpp +include/PCMSolver/utils/Molecule.hpp +include/PCMSolver/utils/QuadratureRules.hpp +include/PCMSolver/utils/Solvent.hpp +include/PCMSolver/utils/Sphere.hpp +include/PCMSolver/utils/SplineFunction.hpp +include/PCMSolver/utils/Stencils.hpp +include/PCMSolver/utils/Symmetry.hpp +include/PCMSolver/utils/Timer.hpp +include/PCMSolver/utils/cnpy.hpp +include/PCMSolver/utils/getkw/Getkw.h +include/PCMSolver/utils/getkw/GetkwError.h +include/PCMSolver/utils/getkw/Keyword.h +include/PCMSolver/utils/getkw/Section.h +lib/libpcm.a +lib/libpcm.so +lib/libpcm.so.1 +share/cmake/PCMSolver/PCMSolverConfig.cmake +share/cmake/PCMSolver/PCMSolverConfigVersion.cmake +share/cmake/PCMSolver/PCMSolverTargets-shared-%%CMAKE_BUILD_TYPE%%.cmake +share/cmake/PCMSolver/PCMSolverTargets-shared.cmake +share/cmake/PCMSolver/PCMSolverTargets-static-%%CMAKE_BUILD_TYPE%%.cmake +share/cmake/PCMSolver/PCMSolverTargets-static.cmake Property changes on: head/science/pcmsolver/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