Index: head/science/cp2k/Makefile =================================================================== --- head/science/cp2k/Makefile (revision 498527) +++ head/science/cp2k/Makefile (revision 498528) @@ -1,86 +1,86 @@ # $FreeBSD$ PORTNAME= cp2k DISTVERSIONPREFIX= v DISTVERSION= 6.1.0 PORTREVISION= 5 CATEGORIES= science PATCH_SITES= https://github.com/${PORTNAME}/${PORTNAME}/commit/ PATCHFILES= f03e6277feea9a65d543ca6c1184f58d3e83bc2a.patch:-p2 \ d00a71c4d0276aab849ac6a6483b9dcdb65613c9.patch:-p2 MAINTAINER= yuri@FreeBSD.org COMMENT= Quantum chemistry and solid state physics software package LICENSE= GPLv2+ LIB_DEPENDS= libblas.so:math/blas \ libfftw3.so:math/fftw3 \ liblapack.so:math/lapack RUN_DEPENDS= cp2k-data>0:science/cp2k-data USES= fortran gmake localbase:ldflags python:build tar:bz2 USE_GITHUB= yes MAKEFILE= ${WRKSRC}/makefiles/Makefile MAKE_ARGS= XARCH=FreeBSD-${NOLIBINT}libint-gfortran VERSION=${VERSION} FC=gfortran${GCC_DEFAULT} CC=${CC} LD=gfortran${GCC_DEFAULT} \ DATA_DIR=${DATADIR} BUILD_WRKSRC= ${WRKSRC}/.build INSTALL_WRKSRC= ${BUILD_WRKSRC} BINARY_ALIAS= python=${PYTHON_CMD} OPTIONS_DEFINE= LIBINT OPTIONS_SINGLE= MULTIPROCESSING OPTIONS_SINGLE_MULTIPROCESSING= SERIAL OPENMP MPI OPENMP_MPI # for the complete list see "3a. ARCH files" in https://www.cp2k.org/howto:compile OPTIONS_DEFAULT= LIBINT SERIAL MULTIPROCESSING_DESC= Multiprocessing LIBINT_DESC= Use libint to evaluate integrals LIBINT_VARS_OFF= NOLIBINT=no LIBINT_LIB_DEPENDS= libint.so:science/libint SERIAL_DESC= Single core (no multiprocessing) SERIAL_VARS= VERSION=sopt OPENMP_VARS= VERSION=ssmp MPI_VARS= VERSION=popt MPI_LIB_DEPENDS= libmpich.so:net/mpich \ libscalapack.so:math/scalapack MPI_LDFLAGS= -lmpifort OPENMP_MPI_DESC= Enable both OpenMP and MPI OPENMP_MPI_VARS= VERSION=psmp OPENMP_MPI_LIB_DEPENDS= ${MPI_LIB_DEPENDS} OPENMP_MPI_LDFLAGS= ${MPI_LDFLAGS} EXECUTABLES= cp2k graph cp2k_shell dbcsr_performance_driver PLIST_FILES= ${EXECUTABLES:C/(.*)/bin\/\1.${VERSION}/} .include .if ${PORT_OPTIONS:MOPENMP} || ${PORT_OPTIONS:MOPENMP_MPI} pre-configure: @if [ ! -e ${LOCALBASE}/lib/libfftw3_omp.so ] ; then \ ${ECHO_MSG} "The OPENMP and OPENMP_MPI options require math/fftw3" ; \ ${ECHO_MSG} "to be built and installed with the OPENMP option ON" ; \ exit 1; \ fi .endif post-patch: - @${REINPLACE_CMD} 's|LIBS.*=.*|& ${LDFLAGS}|; s|^FCFLAGS.*=.*|& -I${LOCALBASE}/include|' ${WRKSRC}/arch/FreeBSD-* + @${REINPLACE_CMD} 's|LIBS.*=.*|& ${LDFLAGS}|; s|^FCFLAGS.*=.*|& -I${LOCALBASE}/include|; s| -march=native||' ${WRKSRC}/arch/FreeBSD-* pre-build: @${MKDIR} ${BUILD_WRKSRC} do-install: .for e in ${EXECUTABLES} ${INSTALL_PROGRAM} ${WRKSRC}/exe/*/${e}.${VERSION} ${STAGEDIR}${PREFIX}/bin .endfor .include