diff --git a/math/lmfit/Makefile b/math/lmfit/Makefile index efd8b1b0dff4..e2136ff525b6 100644 --- a/math/lmfit/Makefile +++ b/math/lmfit/Makefile @@ -1,26 +1,28 @@ PORTNAME= lmfit -DISTVERSION= 9.0 +DISTVERSION= 10.0 CATEGORIES= math MASTER_SITES= https://jugit.fz-juelich.de/mlz/${PORTNAME}/-/archive/v${DISTVERSION}/ DISTNAME= ${PORTNAME}-v${DISTVERSION} MAINTAINER= yuri@FreeBSD.org COMMENT= Library for Levenberg-Marquardt minimization and least-squares fitting WWW= https://jugit.fz-juelich.de/mlz/lmfit LICENSE= BSD2CLAUSE LICENSE_FILE= ${WRKSRC}/COPYING BUILD_DEPENDS= libheinz>0:devel/libheinz USES= cmake:testing perl5 USE_PERL5= build # only for pod2html USE_LDCONFIG= yes CMAKE_OFF= BUILD_TESTING CMAKE_TESTING_ON= BUILD_TESTING OPTIONS_DEFINE= DOCS PORTDOCS= * +# tests as of 10.0 fail: 100% tests passed, 0 tests failed out of 3 + .include diff --git a/math/lmfit/distinfo b/math/lmfit/distinfo index 297874a06a49..a02e392faff8 100644 --- a/math/lmfit/distinfo +++ b/math/lmfit/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1674550325 -SHA256 (lmfit-v9.0.tar.gz) = 2e854c4b0a8f0ecddd4b8a63cfb8266ace02d191c4362762cb80aa84e781b0c3 -SIZE (lmfit-v9.0.tar.gz) = 36686 +TIMESTAMP = 1764046230 +SHA256 (lmfit-v10.0.tar.gz) = ac8d5c36a168d5e09b2cd128b752b704a0572c4c29afa8bbff0894eb721482f3 +SIZE (lmfit-v10.0.tar.gz) = 36887 diff --git a/math/lmfit/pkg-plist b/math/lmfit/pkg-plist index 5be0a2f8a774..91e72f00e8dd 100644 --- a/math/lmfit/pkg-plist +++ b/math/lmfit/pkg-plist @@ -1,15 +1,19 @@ include/lmcurve.h include/lmcurve2.h include/lmdecls.h include/lmfit.hpp include/lmmin.h include/lmstruct.h +lib/cmake/lmfit/lmfitConfig.cmake +lib/cmake/lmfit/lmfitConfigVersion.cmake +lib/cmake/lmfit/lmfitTargets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/lmfit/lmfitTargets.cmake lib/liblmfit.so -lib/liblmfit.so.9 -lib/liblmfit.so.9.0.0 +lib/liblmfit.so.10 +lib/liblmfit.so.10.0.0 libdata/pkgconfig/lmfit.pc share/man/man3/lmcurve.3.gz share/man/man3/lmcurve2.3.gz share/man/man3/lmmin.3.gz share/man/man3/lmmin2.3.gz share/man/man7/lmfit.7.gz diff --git a/science/gromacs/Makefile b/science/gromacs/Makefile index 129dcdc2dfcd..558eab81f1ba 100644 --- a/science/gromacs/Makefile +++ b/science/gromacs/Makefile @@ -1,131 +1,132 @@ PORTNAME= gromacs DISTVERSION= 2025.4 +PORTREVISION= 1 CATEGORIES= science MASTER_SITES= https://ftp.gromacs.org/pub/gromacs/ DISTFILES= ${DISTNAME}${EXTRACT_SUFX} # only for googletest MAINTAINER= yuri@FreeBSD.org COMMENT= Compute molecular dynamics WWW= https://www.gromacs.org \ https://gitlab.com/gromacs/gromacs \ https://github.com/gromacs/gromacs LICENSE= LGPL21 LICENSE_FILE= ${WRKSRC}/COPYING BROKEN_i386= undefined reference to `__atomic_load' and `__atomic_compare_exchange' #` BUILD_DEPENDS= boost-libs>=1.44:devel/boost-libs LIB_DEPENDS= liblmfit.so:math/lmfit \ libmuparser.so:math/muparser # TODO tng USES= cmake compiler:c++17-lang pathfix perl5 pkgconfig \ python:build shebangfix USE_LDCONFIG= yes USE_GITHUB= nodefault SHEBANG_FILES= admin/*.sh scripts/*.pl scripts/*.sh src/gromacs/selection/*.sh bash_CMD= ${SH} CMAKE_OFF= GMX_USE_RDTSCP \ USE_PYTHON_SCRIPTS CMAKE_ARGS= -DPython_EXECUTABLE=${PYTHON_CMD} \ -DPython3_EXECUTABLE=${PYTHON_CMD} \ -DGMX_USE_MUPARSER=EXTERNAL \ -DGMX_USE_PLUMED=ON \ -DGMX_USE_LMFIT=EXTERNAL TEST_TARGET= check OPTIONS_DEFINE= ATLAS FLOAT HWLOC LEGACY SIMD OPTIONS_SINGLE= MP OPENCL OPTIONS_SINGLE_MP= NOMP MPICH OPENMPI THREAD_MPI OPTIONS_SINGLE_OPENCL= OPENCL_NONE OPENCL_ICD OPENCL_SYCL OPTIONS_DEFAULT= HWLOC LEGACY OPENCL_NONE THREAD_MPI # FLOAT should not be a default because science/votca needs double precision. This is likely the same for many other uses. OPTIONS_SUB= yes .if exists(/usr/include/omp.h) OPTIONS_DEFINE+= OPENMP OPTIONS_DEFAULT+= OPENMP .else CMAKE_OFF+= GMX_OPENMP .endif ATLAS_DESC= Use ATLAS for BLAS and LAPACK ATLAS_USES= blaslapack:atlas ATLAS_USES_OFF= blaslapack ATLAS_CMAKE_ON= -DBLAS_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libcblas.so;${LOCALBASE}/lib/libf77blas.so" \ -DLAPACK_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libalapack.so" ATLAS_CMAKE_OFF= -DBLAS_LIBRARIES:FILEPATH="${LOCALBASE}/lib/libblas.so" \ -DLAPACK_LIBRARIES:FILEPATH="${LOCALBASE}/lib/liblapack.so" FLOAT_DESC= Use single instead of double precision FLOAT_BUILD_DEPENDS= fftw3>0:math/fftw3 FLOAT_LIB_DEPENDS= libfftw3f.so:math/fftw3-float FLOAT_LIB_DEPENDS_OFF= libfftw3.so:math/fftw3 FLOAT_CMAKE_ON= -DGMX_DOUBLE:BOOL=OFF FLOAT_CMAKE_OFF= -DGMX_DOUBLE:BOOL=ON FLOAT_PLIST_SUB= SUFFIX_D="" FLOAT_PLIST_SUB_OFF= SUFFIX_D="_d" HWLOC_DESC= Build with HWLOC2, portable hardware locality package HWLOC_CMAKE_BOOL= GMX_HWLOC HWLOC_LIB_DEPENDS= libhwloc.so:devel/hwloc2 LEGACY_DESC= Install legacy API # expected by science/votca LEGACY_CMAKE_BOOL= GMX_INSTALL_LEGACY_API OPENCL_NONE_DESC= No OpenCL OPENCL_NONE_CMAKE_ON= -DGMX_GPU:STRING=OFF # one of: OFF, CUDA, OpenCL, SYCL OPENCL_ICD_DESC= OpenCL via Installable Client Driver OPENCL_ICD_CMAKE_ON= -DGMX_GPU:STRING=OpenCL -DGMX_GPU:STRING=OpenCL OPENCL_ICD_LIB_DEPENDS= libOpenCL.so:devel/ocl-icd \ libclFFT.so:math/clfft OPENCL_ICD_IMPLIES= FLOAT OPENCL_SYCL_DESC= OpenCL via the OpenSYCL implementation of SYCL OPENCL_SYCL_USES= localbase OPENCL_SYCL_CMAKE_ON= -DGMX_GPU:STRING=OpenCL -DGMX_GPU:STRING=SYCL -DGMX_SYCL_HIPSYCL=ON OPENCL_SYCL_LIB_DEPENDS= libhipSYCL-rt.so:lang/opensycl OPENCL_SYCL_IMPLIES= FLOAT OPENCL_SYCL_BROKEN= configure uses a wrong namespace to find CYCL, see https://gitlab.com/gromacs/gromacs/-/issues/4838 SIMD_CMAKE_OFF= -DGMX_SIMD:STRING="None" SIMD_CMAKE_ON= -DGMX_SIMD:STRING="AUTO" MP_DESC= Multiprocessing NOMP_DESC= No multiprocessing support NOMP_PLIST_SUB= SUFFIX_MPI="" MPICH_LIB_DEPENDS= libmpich.so:net/mpich MPICH_CMAKE_ON= -DGMX_MPI:BOOL=ON \ -DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/bin/mpicc" MPICH_PLIST_SUB= SUFFIX_MPI="_mpi" OPENMP_CMAKE_BOOL= GMX_OPENMP OPENMPI_BUILD_DEPENDS= openmpi>0:net/openmpi OPENMPI_RUN_DEPENDS= openmpi>0:net/openmpi OPENMPI_CMAKE_ON= -DGMX_MPI:BOOL=ON \ -DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/mpi/openmpi/bin/mpicc" OPENMPI_PLIST_SUB= SUFFIX_MPI="_mpi" THREAD_MPI_DESC= Build a thread-MPI-based multithreaded version of GROMACS THREAD_MPI_CMAKE_BOOL= GMX_THREAD_MPI THREAD_MPI_PLIST_SUB= SUFFIX_MPI="" post-patch: @${FIND} ${WRKSRC} -name "GMXRC.*" | ${XARGS} ${REINPLACE_CMD} -e \ 's|LDLIB/pkgconfig|LDLIB/../libdata/pkgconfig| ; \ s|LDLIB}/pkgconfig|LDLIB}/../libdata/pkgconfig|' @${REINPLACE_CMD} -e '/CMAKE_REQUIRED_LIBRARIES/d' \ ${WRKSRC}/cmake/gmxTestdlopen.cmake # tests as of 2025.3: 100% tests passed, 0 tests failed out of 92 # 2025.4: tests fail to compile: https://gitlab.com/gromacs/gromacs/-/issues?show=eyJpaWQiOiI1NTAxIiwiZnVsbF9wYXRoIjoiZ3JvbWFjcy9ncm9tYWNzIiwiaWQiOjE3NzU1MDUzMn0%3D .include