Index: head/science/pcmsolver/Makefile =================================================================== --- head/science/pcmsolver/Makefile (revision 468558) +++ head/science/pcmsolver/Makefile (revision 468559) @@ -1,24 +1,25 @@ # $FreeBSD$ PORTNAME= pcmsolver DISTVERSIONPREFIX= v -DISTVERSION= 1.1.11 -PORTREVISION= 1 +DISTVERSION= 1.2.0 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= API for the Polarizable Continuum Model LICENSE= GPLv3 LICENSE_FILE= ${WRKSRC}/LICENSE -USES= cmake:outsource fortran python +LIB_DEPENDS= libflang.so:devel/flang # USES=fortran:clang breaks in configure: can't find libs directory + +USES= cmake:outsource,noninja python USE_GITHUB= yes GH_ACCOUNT= PCMSolver USE_LDCONFIG= yes post-patch: @${REINPLACE_CMD} -e 's|"-O3 |"$${CMAKE_C_FLAGS} |' \ ${WRKSRC}/cmake/custom/compilers/*.cmake .include Index: head/science/pcmsolver/distinfo =================================================================== --- head/science/pcmsolver/distinfo (revision 468558) +++ head/science/pcmsolver/distinfo (revision 468559) @@ -1,3 +1,3 @@ -TIMESTAMP = 1510551005 -SHA256 (PCMSolver-pcmsolver-v1.1.11_GH0.tar.gz) = c6af7d2a3ac8c09fc1835c952877b3444601c387a802b749668d162bb6ac6f36 -SIZE (PCMSolver-pcmsolver-v1.1.11_GH0.tar.gz) = 98167952 +TIMESTAMP = 1524929070 +SHA256 (PCMSolver-pcmsolver-v1.2.0_GH0.tar.gz) = 349a0dde082d3067b18668885767a5060e98a6a43d66a132be43559619c95086 +SIZE (PCMSolver-pcmsolver-v1.2.0_GH0.tar.gz) = 98217936 Index: head/science/pcmsolver/pkg-plist =================================================================== --- head/science/pcmsolver/pkg-plist (revision 468558) +++ head/science/pcmsolver/pkg-plist (revision 468559) @@ -1,104 +1,97 @@ -bin/codata.py -bin/docopt.py -bin/getkw.py -bin/pcmsolver.py +bin/go_pcm.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/VersionInfo.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.f90 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/Legendre.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 +lib/python/pcmsolver/__init__.py +lib/python/pcmsolver/external/__init__.py +lib/python/pcmsolver/external/docopt.py +lib/python/pcmsolver/getkw.py +lib/python/pcmsolver/metadata.py +lib/python/pcmsolver/pcmdata.py +lib/python/pcmsolver/pcmparser.py +lib/python/pcmsolver/pyparsing.py 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