From cdceb713caadb0252f7a1288d30ecde9a716f439 Mon Sep 17 00:00:00 2001 From: Maho Nakata Date: Wed, 17 Jan 2007 04:24:49 +0000 Subject: * Update to 5.2.4 * make fetchable (fenner) * Migrate to gfortran. * Use gfortran compiled atlas/blas/lapack. --- science/abinit/Makefile | 91 +--- science/abinit/distinfo | 6 +- science/abinit/files/patch-config+m4+init.m4 | 59 +++ science/abinit/files/patch-config+optflags | 14 + science/abinit/pkg-plist | 672 ++++++++++++++------------- 5 files changed, 449 insertions(+), 393 deletions(-) create mode 100644 science/abinit/files/patch-config+m4+init.m4 create mode 100644 science/abinit/files/patch-config+optflags (limited to 'science') diff --git a/science/abinit/Makefile b/science/abinit/Makefile index bb241294f40c..fed9c5db7823 100644 --- a/science/abinit/Makefile +++ b/science/abinit/Makefile @@ -6,83 +6,42 @@ # PORTNAME= abinit -PORTVERSION= 4.6.5 +PORTVERSION= 5.2.4 CATEGORIES= science MASTER_SITES= ftp://ftp.abinit.org/pub/abinitio/ABINIT_v${PORTVERSION}/ MAINTAINER= maho@FreeBSD.org COMMENT= Abinit calculates electronic structure of systems -BUILD_DEPENDS= ${LOCALBASE}/intel_fc_80/bin/ifort:${PORTSDIR}/lang/ifc +WANT_FORTRAN= yes #dummy but future use +BUILD_DEPENDS+= gfortran42:${PORTSDIR}/lang/gcc42 +FC= gfortran42 +F77= gfortran42 +CONFIGURE_ENV+= FC="${FC}" F77="${F77}" FFLAGS="${FFLAGS}" -.if defined(WITHOUT_ATLAS) -LIB_DEPENDS+= lapack.1:${PORTSDIR}/math/lapack -.else -LIB_DEPENDS+= atlas.1:${PORTSDIR}/math/atlas -.endif +USE_GMAKE= yes +GNU_CONFIGURE= yes +USE_AUTOTOOLS= autoconf:259 +GNU_HOST= ${ARCH}-portbld-freebsd${OSREL} +PLIST_SUB= GNU_HOST=${GNU_HOST} -ALL_TARGET= allseq +.include -.if defined(WITHOUT_ATLAS) -BLAS= ${LOCALBASE}/lib/libblas.a -LAPACK= ${LOCALBASE}/lib/liblapack.a -.else -BLAS= ${LOCALBASE}/lib/libatlas.a -LAPACK= ${LOCALBASE}/lib/libalapack.a ${LOCALBASE}/lib/libf77blas.a ${LOCALBASE}/lib/libcblas.a -lg2c -lm +.if exists(${LOCALBASE}/lib/libatlas_r.so) && !defined(WITH_BLAS) +WITH_ATLAS= yes .endif - -#do-extract: -# @${MKDIR} ${WRKSRC} -# @${ECHO} ${WRKSRC} -#.for file in ${DISTFILES} -# @${TAR} xfz ${DISTDIR}/${DISTFILES} -C ${WRKSRC} -#.endfor - -#Flags for programs written in Fortran 77 -FFLAGS_LIBS+= -w ${FFLAGS} -#Flags for programs written in Fortran 90/95 -FFLAGS+= -w -FR - -.if defined(WITH_OPTIMIZED_FLAGS) -FFLAGS+= -O3 -tpp7 -axW -FFLAGS_LIBS+= -O3 -tpp7 -axW -CFLAGS+= -O2 -ffast-math +.if defined(WITH_ATLAS) +LIB_DEPENDS+= atlas.2:${PORTSDIR}/math/atlas +BLAS= -lf77blas -latlas +LAPACK= -lalapack +.else +LIB_DEPENDS+= blas.2:${PORTSDIR}/math/blas +LIB_DEPENDS+= lapack.4:${PORTSDIR}/math/lapack +BLAS= -lblas +LAPACK= -llapack .endif -post-extract: - @${CP} ${FILESDIR}/makefile_macros ${WRKSRC}/ - @${REINPLACE_CMD} -e 's+%%FFLAGS%%+${FFLAGS}+g' \ - -e 's+%%FC%%+${LOCALBASE}/intel_fc_80/bin/ifort+g' \ - -e 's+%%FFLAGS%%+${FFLAGS}+g' \ - -e 's+%%FFLAGS_LIBS%%+${FFLAG_LIBS}+g' \ - -e 's+%%CPP%%+${CPP}+g' \ - -e 's+%%CC%%+${CC}+g' \ - -e 's|%%CFLAGS%%|${CFLAGS}|g' \ - -e 's+%%PERL%%+${PERL}+g' \ - -e 's+%%BLAS%%+${BLAS}+g' \ - -e 's+%%LAPACK%%+${LAPACK}+g' ${WRKSRC}/makefile_macros - test: - cd ${WRKSRC} ; ${MAKE} test1 - cd ${WRKSRC} ; ${MAKE} test2 - cd ${WRKSRC} ; ${MAKE} test3 - cd ${WRKSRC} ; ${MAKE} test4 - -do-install: - @cd ${WRKSRC} ; ${INSTALL_PROGRAM} abinis ${PREFIX}/bin - @cd ${WRKSRC} ; ${INSTALL_PROGRAM} aim ${PREFIX}/bin - @cd ${WRKSRC} ; ${INSTALL_PROGRAM} anaddb ${PREFIX}/bin - @cd ${WRKSRC} ; ${INSTALL_PROGRAM} band2eps ${PREFIX}/bin - @cd ${WRKSRC} ; ${INSTALL_PROGRAM} conducti ${PREFIX}/bin - @cd ${WRKSRC} ; ${INSTALL_PROGRAM} cut3d ${PREFIX}/bin - @cd ${WRKSRC} ; ${INSTALL_PROGRAM} lwf ${PREFIX}/bin - @cd ${WRKSRC} ; ${INSTALL_PROGRAM} newsp ${PREFIX}/bin -.if !defined(NOPORTDOCS) - @${MKDIR} ${DOCSDIR} - @${MKDIR} ${DOCSDIR}/Infos - @${MKDIR} ${DOCSDIR}/Tutorial - @${TAR} -cf - -C ${WRKSRC}/Infos . | ${TAR} xf - -C ${DOCSDIR}/Infos - @${TAR} -cf - -C ${WRKSRC}/Tutorial . | ${TAR} xf - -C ${DOCSDIR}/Tutorial -.endif + cd ${WRKSRC}/tests ; ${GMAKE} tests -.include +.include diff --git a/science/abinit/distinfo b/science/abinit/distinfo index 450450c9b06c..5512e9fc5ab7 100644 --- a/science/abinit/distinfo +++ b/science/abinit/distinfo @@ -1,3 +1,3 @@ -MD5 (abinit-4.6.5.tar.gz) = 052d62e2fbef5fce79657a15afe877ed -SHA256 (abinit-4.6.5.tar.gz) = accaaaceb1e8cabea22e81162c96c84340d0a4e9bed35f68224c2f6acf189284 -SIZE (abinit-4.6.5.tar.gz) = 20915562 +MD5 (abinit-5.2.4.tar.gz) = ec6a91c77f425eda921e8d4280a7740c +SHA256 (abinit-5.2.4.tar.gz) = 8f13a3af020fa4be9e0d6eada24c82c68612d24635ab880a4ccd7a2528e1b153 +SIZE (abinit-5.2.4.tar.gz) = 20979917 diff --git a/science/abinit/files/patch-config+m4+init.m4 b/science/abinit/files/patch-config+m4+init.m4 new file mode 100644 index 000000000000..15b578aed909 --- /dev/null +++ b/science/abinit/files/patch-config+m4+init.m4 @@ -0,0 +1,59 @@ +Apparently this code is not good...abi_cpu_bits must be +determined by different way. + +--- config/m4/init.m4~ Tue Nov 28 15:12:04 2006 ++++ config/m4/init.m4 Wed Jan 17 11:49:35 2007 +@@ -142,6 +142,53 @@ + abi_cpu_bits="64" + ;; + ++ *-*freebsd*) ++ dnl Pentium 3 ? ++ if test "${abi_cpu_model}" = ""; then ++ abi_cpu_model=`sysctl hw.model | grep 'Pentium III'` ++ if test "${abi_cpu_model}" != ""; then ++ abi_cpu_model="pentium3" ++ abi_cpu_64bits="no" ++ abi_cpu_bits="32" ++ fi ++ fi ++ dnl Pentium 4 ? ++ if test "${abi_cpu_model}" = ""; then ++ abi_cpu_model=`sysctl hw.model | grep 'Intel(R) Pentium(R) 4'` ++ if test "${abi_cpu_model}" != ""; then ++ abi_cpu_model="pentium4" ++ abi_cpu_64bits="no" ++ abi_cpu_bits="32" ++ fi ++ fi ++ dnl Pentium 4M ? ++ if test "${abi_cpu_model}" = ""; then ++ abi_cpu_model=`sysctl hw.model | grep 'Intel(R) Pentium(R) M'` ++ if test "${abi_cpu_model}" != ""; then ++ abi_cpu_model="pentium4" ++ abi_cpu_64bits="no" ++ abi_cpu_bits="32" ++ fi ++ fi ++ dnl Opteron ? ++ if test "${abi_cpu_model}" = ""; then ++ abi_cpu_model=`sysctl hw.model | grep 'Opteron'` ++ if test "${abi_cpu_model}" != ""; then ++ abi_cpu_model="opteron" ++ abi_cpu_64bits="yes" ++ abi_cpu_bits="64" ++ fi ++ fi ++ dnl Xeon ? ++ if test "${abi_cpu_model}" = ""; then ++ abi_cpu_model=`sysctl hw.model | grep 'Intel(R) XEON(TM)'` ++ if test "${abi_cpu_model}" != ""; then ++ abi_cpu_model="xeon" ++ abi_cpu_64bits="yes" ++ abi_cpu_bits="64" ++ fi ++ fi ++ + esac + + AC_SUBST(abi_cpu_model) diff --git a/science/abinit/files/patch-config+optflags b/science/abinit/files/patch-config+optflags new file mode 100644 index 000000000000..148b307fe95d --- /dev/null +++ b/science/abinit/files/patch-config+optflags @@ -0,0 +1,14 @@ +--- /dev/null Wed Jan 17 11:53:59 2007 ++++ config/optflags/gnu_fc/all/opteron Wed Jan 17 11:53:27 2007 +@@ -0,0 +1 @@ ++FCFLAGS_OPT="-O2 -fforce-addr -ffast-math -mmmx -msse -msse2" + +--- /dev/null Wed Jan 17 11:55:01 2007 ++++ config/optflags/gnu_cc/all/opteron Wed Jan 17 11:54:40 2007 +@@ -0,0 +1 @@ ++CFLAGS_OPT="-O2 -fforce-addr -ffast-math -mmmx -msse -msse2" + +--- /dev/null Wed Jan 17 11:55:01 2007 ++++ config/optflags/gnu_cxx/all/opteron Wed Jan 17 11:54:40 2007 +@@ -0,0 +1 @@ ++CFLAGS_OPT="-O2 -fforce-addr -ffast-math -mmmx -msse -msse2" diff --git a/science/abinit/pkg-plist b/science/abinit/pkg-plist index 1b8dee9be8e2..8792c06e347e 100644 --- a/science/abinit/pkg-plist +++ b/science/abinit/pkg-plist @@ -1,324 +1,348 @@ -bin/abinis -bin/aim -bin/anaddb -bin/band2eps -bin/conducti -bin/cut3d -bin/lwf -bin/newsp -%%PORTDOCS%%share/doc/abinit/Infos/FAQ.html -%%PORTDOCS%%share/doc/abinit/Infos/Features/features.html -%%PORTDOCS%%share/doc/abinit/Infos/Features/features_v2.2 -%%PORTDOCS%%share/doc/abinit/Infos/Features/features_v2.3.htm -%%PORTDOCS%%share/doc/abinit/Infos/Features/features_v3.0.htm -%%PORTDOCS%%share/doc/abinit/Infos/Features/features_v3.1.htm -%%PORTDOCS%%share/doc/abinit/Infos/Features/features_v3.2.htm 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