Index: head/science/cp2k/Makefile =================================================================== --- head/science/cp2k/Makefile (revision 498146) +++ head/science/cp2k/Makefile (revision 498147) @@ -1,83 +1,86 @@ # $FreeBSD$ PORTNAME= cp2k -DISTVERSION= 6.1 -PORTREVISION= 4 +DISTVERSIONPREFIX= v +DISTVERSION= 6.1.0 +PORTREVISION= 5 CATEGORIES= science -MASTER_SITES= SF/${PORTNAME}/ PATCH_SITES= https://github.com/${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} +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|' ${WRKSRC}/arch/FreeBSD-* pre-build: @${MKDIR} ${BUILD_WRKSRC} do-install: .for e in ${EXECUTABLES} ${INSTALL_PROGRAM} ${WRKSRC}/exe/*/${e}.${VERSION} ${STAGEDIR}${PREFIX}/bin .endfor .include Index: head/science/cp2k/distinfo =================================================================== --- head/science/cp2k/distinfo (revision 498146) +++ head/science/cp2k/distinfo (revision 498147) @@ -1,7 +1,7 @@ -TIMESTAMP = 1536129970 -SHA256 (cp2k-6.1.tar.bz2) = af803558e0a6b9e9d9ce8a3ab955ba32bacd179922455424e061c82c9fefa34b -SIZE (cp2k-6.1.tar.bz2) = 55139278 +TIMESTAMP = 1554565553 +SHA256 (cp2k-cp2k-v6.1.0_GH0.tar.gz) = d7dd5f164e1e51d2dcb8c7d927b99f6ac1d0f8de4a665bd9daee1a14864c30ae +SIZE (cp2k-cp2k-v6.1.0_GH0.tar.gz) = 63576088 SHA256 (f03e6277feea9a65d543ca6c1184f58d3e83bc2a.patch) = 5c7a010738e52cd9f0c8d8e10e3627dae7e2f05833cce343f87b0dbb7c7e6531 SIZE (f03e6277feea9a65d543ca6c1184f58d3e83bc2a.patch) = 1418 SHA256 (d00a71c4d0276aab849ac6a6483b9dcdb65613c9.patch) = 4cf2a15b3b859b07f11e21bd2a928cb2ac78866a2174e06551c861e633eb112d SIZE (d00a71c4d0276aab849ac6a6483b9dcdb65613c9.patch) = 3823