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89 lines
2.4 KiB
Makefile
89 lines
2.4 KiB
Makefile
# $FreeBSD$
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PORTNAME= cp2k
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DISTVERSIONPREFIX= v
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DISTVERSION= 6.1.0
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PORTREVISION= 7
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CATEGORIES= science
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PATCH_SITES= https://github.com/${PORTNAME}/${PORTNAME}/commit/
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PATCHFILES= f03e6277feea9a65d543ca6c1184f58d3e83bc2a.patch:-p2 \
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d00a71c4d0276aab849ac6a6483b9dcdb65613c9.patch:-p2
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Quantum chemistry and solid state physics software package
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BROKEN= unfetchable
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LICENSE= GPLv2+
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LIB_DEPENDS= libblas.so:math/blas \
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libfftw3.so:math/fftw3 \
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liblapack.so:math/lapack
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RUN_DEPENDS= cp2k-data>0:science/cp2k-data
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USES= fortran gmake localbase:ldflags python:build tar:bz2
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USE_GITHUB= yes
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MAKEFILE= ${WRKSRC}/makefiles/Makefile
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MAKE_ARGS= XARCH=FreeBSD-${NOLIBINT}libint-gfortran VERSION=${VERSION} FC=gfortran${GCC_DEFAULT} CC=${CC} LD=gfortran${GCC_DEFAULT} \
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DATA_DIR=${DATADIR}
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BUILD_WRKSRC= ${WRKSRC}/.build
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INSTALL_WRKSRC= ${BUILD_WRKSRC}
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BINARY_ALIAS= python=${PYTHON_CMD}
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OPTIONS_DEFINE= LIBINT
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OPTIONS_SINGLE= MULTIPROCESSING
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OPTIONS_SINGLE_MULTIPROCESSING= SERIAL OPENMP MPI OPENMP_MPI # for the complete list see "3a. ARCH files" in https://www.cp2k.org/howto:compile
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OPTIONS_DEFAULT= LIBINT SERIAL
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MULTIPROCESSING_DESC= Multiprocessing
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LIBINT_DESC= Use libint to evaluate integrals
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LIBINT_VARS_OFF= NOLIBINT=no
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LIBINT_LIB_DEPENDS= libint.so:science/libint
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SERIAL_DESC= Single core (no multiprocessing)
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SERIAL_VARS= VERSION=sopt
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OPENMP_VARS= VERSION=ssmp
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MPI_VARS= VERSION=popt
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MPI_LIB_DEPENDS= libmpich.so:net/mpich \
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libscalapack.so:math/scalapack
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MPI_LDFLAGS= -lmpifort
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OPENMP_MPI_DESC= Enable both OpenMP and MPI
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OPENMP_MPI_VARS= VERSION=psmp
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OPENMP_MPI_LIB_DEPENDS= ${MPI_LIB_DEPENDS}
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OPENMP_MPI_LDFLAGS= ${MPI_LDFLAGS}
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EXECUTABLES= cp2k graph cp2k_shell dbcsr_performance_driver
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PLIST_FILES= ${EXECUTABLES:C/(.*)/bin\/\1.${VERSION}/}
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.include <bsd.port.options.mk>
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.if ${PORT_OPTIONS:MOPENMP} || ${PORT_OPTIONS:MOPENMP_MPI}
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pre-configure:
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@if [ ! -e ${LOCALBASE}/lib/libfftw3_omp.so ] ; then \
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${ECHO_MSG} "The OPENMP and OPENMP_MPI options require math/fftw3" ; \
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${ECHO_MSG} "to be built and installed with the OPENMP option ON" ; \
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exit 1; \
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fi
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.endif
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post-patch:
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@${REINPLACE_CMD} 's|LIBS.*=.*|& ${LDFLAGS}|; s|^FCFLAGS.*=.*|& -I${LOCALBASE}/include|; s| -march=native||' ${WRKSRC}/arch/FreeBSD-*
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pre-build:
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@${MKDIR} ${BUILD_WRKSRC}
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do-install:
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.for e in ${EXECUTABLES}
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${INSTALL_PROGRAM} ${WRKSRC}/exe/*/${e}.${VERSION} ${STAGEDIR}${PREFIX}/bin
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.endfor
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.include <bsd.port.mk>
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