diff --git a/math/dbcsr/Makefile b/math/dbcsr/Makefile index 908f92fe2b7f..de38f7f29062 100644 --- a/math/dbcsr/Makefile +++ b/math/dbcsr/Makefile @@ -1,59 +1,59 @@ PORTNAME= dbcsr DISTVERSIONPREFIX= v DISTVERSION= 2.7.0 PORTREVISION= 1 CATEGORIES= math MAINTAINER= yuri@FreeBSD.org COMMENT= Distributed Block Compressed Sparse Row matrix library WWW= https://www.cp2k.org/dbcsr LICENSE= GPLv3 LICENSE_FILE= ${WRKSRC}/LICENSE .if !exists(/usr/include/omp.h) BROKEN= requires OpenMP support that is missing on this architecture .endif BUILD_DEPENDS= fypp:devel/py-fypp@${PY_FLAVOR} USES= blaslapack:openblas cmake:noninja,testing compiler:c++14-lang fortran \ python:build -USE_GCC= yes # OpenMP is used from both Forran and C code, therefore C code should be compiled with GCC, otherwise it fails at run-time (same in cp2k) +USE_GCC= yes # OpenMP is used from both Fortan and C code, therefore C code should be compiled with GCC, otherwise it fails at run-time (same in cp2k) USE_LDCONFIG= yes USE_GITHUB= yes GH_ACCOUNT= cp2k FFLAGS+= -D__NO_STATM_ACCESS # disable /proc/self/statm access LDFLAGS+= -lopenblas CMAKE_ON= BUILD_SHARED_LIBS CMAKE_OFF= BUILD_TESTING WITH_EXAMPLES CMAKE_ARGS= -DBLA_VENDOR:STRING="OpenBLAS" -DPython_EXECUTABLE=${PYTHON_CMD} BINARY_ALIAS= git=false # with git sonames get messed up OPTIONS_DEFINE= C_API MPIX OPENMP # libxsmm is supposed to be supported, but cmake build lacks the corresponding option: https://github.com/cp2k/dbcsr/issues/73 OPTIONS_DEFAULT= C_API MPIX OPENMP OPTIONS_SUB= yes -MPIX_DESC= Use OpenMPI +MPIX_DESC= Enable MPI MPIX_CMAKE_BOOL= USE_MPI USE_MPI_F08 MPIX_USES= mpi:mpich OPENMP_CMAKE_BOOL= USE_OPENMP C_API_DESC= Build the C API library C_API_CMAKE_BOOL= WITH_C_API C_API_IMPLIES= MPIX # the ISO_C_BINDINGS require MPI unconditionally .include . if ${GCC_DEFAULT} >= 10 CMAKE_ARGS+= -DCMAKE_Fortran_FLAGS="${FFLAGS} -fallow-argument-mismatch" # -fallow-argument-mismatch is a workaround of https://github.com/cp2k/dbcsr/issues/387 for gcc10+ . else CMAKE_ARGS+= -DCMAKE_Fortran_FLAGS="${FFLAGS}" . endif .include diff --git a/science/cp2k/Makefile b/science/cp2k/Makefile index 06cf6c241377..bf293f5202b8 100644 --- a/science/cp2k/Makefile +++ b/science/cp2k/Makefile @@ -1,64 +1,64 @@ PORTNAME= cp2k DISTVERSIONPREFIX= v DISTVERSION= 2024.3 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= Quantum chemistry and solid state physics software package WWW= https://www.cp2k.org/ LICENSE= GPLv2+ LICENSE_FILE= ${WRKSRC}/LICENSE .if !exists(/usr/include/omp.h) BROKEN= requires OpenMP support that is missing on this architecture .endif BUILD_DEPENDS= fypp:devel/py-fypp@${PY_FLAVOR} LIB_DEPENDS= libdbcsr.so:math/dbcsr \ libfftw3.so:math/fftw3 \ libopenblas.so:math/openblas RUN_DEPENDS= cp2k-data>0:science/cp2k-data TEST_DEPENDS= bash:shells/bash USES= cmake fortran localbase:ldflags python:build,test shebangfix tar:bz2 -USE_GCC= yes # OpenMP is used from both Forran and C code, therefore C code should be compiled with GCC, otherwise it fails at run-time (same in dbcsr) +USE_GCC= yes # OpenMP is used from both Fortan and C code, therefore C code should be compiled with GCC, otherwise it fails at run-time (same in dbcsr) USE_GITHUB= yes SHEBANG_GLOB= *.py GCC_VERSION= ${GCC_DEFAULT} MAKE_ARGS= XARCH=FreeBSD-gfortran VERSION=${VERSION} FC=gfortran${GCC_VERSION} CC=${CC} LD=gfortran${GCC_VERSION} \ DATA_DIR=${DATADIR} FFLAGS+= -D__NO_STATM_ACCESS BINARY_ALIAS= python=${PYTHON_CMD} python3=${PYTHON_CMD} OPTIONS_DEFINE= LIBINT MPIX OPTIONS_DEFAULT= MPIX # LIBINT LIBINT_DESC= Use libint to evaluate integrals LIBINT_CMAKE_BOOL= CP2K_USE_LIBINT2 LIBINT_LIB_DEPENDS= libint2.so:science/libint2 LIBINT_BROKEN= missing fortran support -MPIX_DESC= Use OpenMPI +MPIX_DESC= Enable MPI MPIX_CMAKE_BOOL= CP2K_USE_MPI MPIX_USES= mpi:mpich MPIX_LIB_DEPENDS= libscalapack.so:math/scalapack MPIX_VARS= EXE_VERSION=psmp MPIX_VARS_OFF= EXE_VERSION=ssmp PLIST_SUB= SUFFIX=.${EXE_VERSION} do-test: install @cd ${WRKSRC}/ && \ ${SETENV} ${MAKE_ENV} CP2K_STEM=${PREFIX}/bin/cp2k \ ./tests/do_regtest.py x ${EXE_VERSION} # build instructions: https://github.com/cp2k/cp2k/blob/master/INSTALL.md .include