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34ce1bef94
based upon the DFT++ algebraic framework introduced in Computer Physics Communications 128, 1-45 (June 2000). This framework allows us to transparently separate the computational guts (cache optimization, parallelization, etc.) from the introduction of new representations (plane waves, wavelets) and new physics (new density functionals, linear response theory, dielectric solutions). The software is fully cache and register optimized, and runs in serial, threaded, MPI and mixed threaded-MPI parallel environments.
84 lines
2.8 KiB
Makefile
84 lines
2.8 KiB
Makefile
# New ports collection makefile for: dft++
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# Date Created: 18 March 2004
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# Whom: NAKATA Maho <maho@FreeBSD.org>
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#
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# $FreeBSD$
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#
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PORTNAME= dft++
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PORTVERSION= 3.0
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CATEGORIES= science
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MASTER_SITES= http://dft.physics.cornell.edu/src/ \
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http://dft.physics.cornell.edu/example/:example
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DISTFILES= ${PORTNAME}.v${PORTVERSION}.tar.gz
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.if !defined(NOPORTDOCS)
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DISTFILES+= dft.in:example si_psp.tar:example output:example
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.endif
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DIST_SUBDIR= dft++
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EXTRACT_ONLY= ${PORTNAME}.v${PORTVERSION}.tar.gz
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MAINTAINER= maho@FreeBSD.org
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COMMENT= DFT++, A density functional software
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LIB_DEPENDS= atlas:${PORTSDIR}/math/atlas\
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fftw.2:${PORTSDIR}/math/fftw
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WRKSRC= ${WRKDIR}/${PORTNAME}-${PORTVERSION}
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USE_GMAKE= yes
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USE_REINPLACE= yes
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LAPACK= -lalapack -lcblas -lf77blas -lg2c -latlas
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FFTW= -lfftw
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.if defined(WITH_OPTIMIZED_FLAGS)
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OPTIMIZED_FLAGS+= -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double
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.if (${MACHINE_ARCH} == "i386")
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OPTIMIZED_FLAGS+= -mcpu=i686 -march=i686 -mfancy-math-387 -mpreferred-stack-boundary=3
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.endif # i386
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.endif
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pre-patch:
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${CP} ${WRKSRC}/makefile ${WRKSRC}/makefile-pw
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${CP} ${WRKSRC}/makefile ${WRKSRC}/makefile-wl
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pre-configure:
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@${ECHO} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
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@${REINPLACE_CMD} -e ' s|%%FC%%|${FC}|g ; \
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s|%%CC%%|${CC}|g ; \
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s|%%CXX%%|${CXX}|g ; \
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s|%%OPTIMIZED_FLAGS%%|${OPTIMIZED_FLAGS}|g ; \
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s|%%LAPACK%%|${LAPACK}|g ; \
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s|%%FFTW%%|${FFTW}|g ; \
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s|%%LOCALBASE%%|${LOCALBASE}|g ; \
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s|%%FFLAGS%%|${FFLAGS}|g ; \
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s|%%CFLAGS%%|${CFLAGS}|g ; \
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s|%%CXXFLAGS%%|${CXXFLAGS}|g ;' ${WRKSRC}/makefile.local-pw
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@${REINPLACE_CMD} -e ' s|%%FC%%|${FC}|g ; \
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s|%%CC%%|${CC}|g ; \
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s|%%CXX%%|${CXX}|g ; \
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s|%%LAPACK%%|${LAPACK}|g ; \
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s|%%FFTW%%|${FFTW}|g ; \
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s|%%OPTIMIZED_FLAGS%%|${OPTIMIZED_FLAGS}|g ; \
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s|%%FFLAGS%%|${FFLAGS}|g ; \
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s|%%CFLAGS%%|${CFLAGS}|g ; \
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s|%%LOCALBASE%%|${LOCALBASE}|g ; \
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s|%%CXXFLAGS%%|${CXXFLAGS}|g ;' ${WRKSRC}/makefile.local-wl
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do-build:
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@cd ${WRKSRC} ; ${GMAKE} -f makefile-pw dft-pw
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@cd ${WRKSRC} ; ${GMAKE} -f makefile-pw clean
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@cd ${WRKSRC} ; ${GMAKE} -f makefile-wl dft-wl
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do-install:
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@${INSTALL_PROGRAM} ${WRKSRC}/dft-pw ${PREFIX}/bin
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@${INSTALL_PROGRAM} ${WRKSRC}/dft-wl ${PREFIX}/bin
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.if !defined(NOPORTDOCS)
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@${MKDIR} ${EXAMPLESDIR}
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@${INSTALL_DATA} ${DISTDIR}/${DIST_SUBDIR}/dft.in ${EXAMPLESDIR}
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@${INSTALL_DATA} ${DISTDIR}/${DIST_SUBDIR}/output ${EXAMPLESDIR}
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@${INSTALL_DATA} ${DISTDIR}/${DIST_SUBDIR}/si_psp.tar ${EXAMPLESDIR}
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@${TAR} xf ${DISTDIR}/${DIST_SUBDIR}/si_psp.tar -C ${EXAMPLESDIR}
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@${CHOWN} -R ${SHAREOWN}:${SHAREGRP} ${EXAMPLESDIR}
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.endif
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.include <bsd.port.mk>
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