Index: head/science/pcmsolver/Makefile =================================================================== --- head/science/pcmsolver/Makefile (revision 556895) +++ head/science/pcmsolver/Makefile (revision 556896) @@ -1,36 +1,32 @@ # $FreeBSD$ PORTNAME= pcmsolver DISTVERSIONPREFIX= v -DISTVERSION= 1.2.3 -PORTREVISION= 2 +DISTVERSION= 1.3.0 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= API for the Polarizable Continuum Model LICENSE= GPLv3 LICENSE_FILE= ${WRKSRC}/LICENSE USES= cmake:noninja compiler:c11 fortran python +USE_LDCONFIG= yes + USE_GITHUB= yes GH_ACCOUNT= PCMSolver -USE_LDCONFIG= yes do-configure: # full CMAKE_ARGS breaks configure: -DCMAKE_EXE_LINKER_FLAGS="${LDFLAGS}" causes configure to fail to find fortran's libraries @${MKDIR} ${CONFIGURE_WRKSRC} @cd ${CONFIGURE_WRKSRC} && \ ${SETENV} ${CONFIGURE_ENV} ${CMAKE_BIN} \ -DCMAKE_BUILD_TYPE:STRING="Release" \ -DCMAKE_C_FLAGS_RELEASE:STRING="${CFLAGS}" \ -DCMAKE_CXX_FLAGS_RELEASE:STRING="${CXXFLAGS}" \ -DCMAKE_EXE_LINKER_FLAGS:STRING="${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgcc_s.so" \ -DCMAKE_C_COMPILER:STRING="${CC}" \ -DCMAKE_CXX_COMPILER:STRING="${CXX}" \ ${CMAKE_SOURCE_PATH} - -post-patch: - @${REINPLACE_CMD} -e 's|"-O3 |"$${CMAKE_C_FLAGS} |' \ - ${WRKSRC}/cmake/custom/compilers/*.cmake .include Index: head/science/pcmsolver/distinfo =================================================================== --- head/science/pcmsolver/distinfo (revision 556895) +++ head/science/pcmsolver/distinfo (revision 556896) @@ -1,3 +1,3 @@ -TIMESTAMP = 1550370476 -SHA256 (PCMSolver-pcmsolver-v1.2.3_GH0.tar.gz) = d1ef6bdc268a2e719b36c85125c3543df7a26e1a738daf4483f4ded0c76f5b60 -SIZE (PCMSolver-pcmsolver-v1.2.3_GH0.tar.gz) = 98222156 +TIMESTAMP = 1606986290 +SHA256 (PCMSolver-pcmsolver-v1.3.0_GH0.tar.gz) = 85d40881e3dbdb13e9b8dc661cd576c181760f6e0d760ab5630b5a8155418f34 +SIZE (PCMSolver-pcmsolver-v1.3.0_GH0.tar.gz) = 98241099 Index: head/science/pcmsolver/files/patch-CMakeLists.txt =================================================================== --- head/science/pcmsolver/files/patch-CMakeLists.txt (revision 556895) +++ head/science/pcmsolver/files/patch-CMakeLists.txt (revision 556896) @@ -1,10 +1,10 @@ ---- CMakeLists.txt.orig 2018-12-19 05:45:58 UTC +--- CMakeLists.txt.orig 2020-11-30 20:21:39 UTC +++ CMakeLists.txt -@@ -80,4 +80,6 @@ include(eigen) - include(libtaylor) - include(zlib) - include(autocmake_src) --include(test) +@@ -75,4 +75,6 @@ include(${PROJECT_SOURCE_DIR}/cmake/custom/eigen.cmake + include(${PROJECT_SOURCE_DIR}/cmake/custom/libtaylor.cmake) + include(${PROJECT_SOURCE_DIR}/cmake/custom/zlib.cmake) + include(${PROJECT_SOURCE_DIR}/cmake/downloaded/autocmake_src.cmake) +-include(${PROJECT_SOURCE_DIR}/cmake/custom/test.cmake) +if (BUILD_TESTING) -+ include(test) ++ include(${PROJECT_SOURCE_DIR}/cmake/custom/test.cmake) +endif() Index: head/science/pcmsolver/pkg-plist =================================================================== --- head/science/pcmsolver/pkg-plist (revision 556895) +++ head/science/pcmsolver/pkg-plist (revision 556896) @@ -1,97 +1,98 @@ bin/go_pcm.py bin/plot_cavity.py bin/run_pcm include/PCMSolver/Citation.hpp include/PCMSolver/Config.hpp -include/PCMSolver/Cxx11Workarounds.hpp include/PCMSolver/ErrorHandling.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/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/interface/Input.hpp include/PCMSolver/interface/Meddle.hpp +include/PCMSolver/mmfq/FQOhno.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/Legendre.hpp include/PCMSolver/utils/Logger.hpp include/PCMSolver/utils/LoggerImpl.hpp +include/PCMSolver/utils/MMFQ.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