Date: Sat, 5 May 2012 21:21:17 GMT From: Jason Bacon <jwbacon@tds.net> To: freebsd-gnats-submit@FreeBSD.org Subject: ports/167626: New port: math/flair Message-ID: <201205052121.q45LLHrk016035@red.freebsd.org> Resent-Message-ID: <201205052130.q45LUBGk027170@freefall.freebsd.org>
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>Number: 167626 >Category: ports >Synopsis: New port: math/flair >Confidential: no >Severity: non-critical >Priority: low >Responsible: freebsd-ports-bugs >State: open >Quarter: >Keywords: >Date-Required: >Class: change-request >Submitter-Id: current-users >Arrival-Date: Sat May 05 21:30:10 UTC 2012 >Closed-Date: >Last-Modified: >Originator: Jason Bacon >Release: 9.0-RELEASE >Organization: Acadix Consulting, LLC >Environment: FreeBSD sculpin.jbacon.dyndns.org 9.0-RELEASE FreeBSD 9.0-RELEASE #0: Tue Jan 3 07:46:30 UTC 2012 root@farrell.cse.buffalo.edu:/usr/obj/usr/src/sys/GENERIC amd64 >Description: Implementation of the Full-potential Linearized Augmented Plane Wave (FLAPW) method for bulk and thin films. WWW: https://pantherfile.uwm.edu/weinert/www/flair.html Flair is being used at UW - Milwaukee to advance recent ground-breaking research in graphene oxide based semiconductors. >How-To-Repeat: >Fix: Patch attached with submission follows: # This is a shell archive. Save it in a file, remove anything before # this line, and then unpack it by entering "sh file". Note, it may # create directories; files and directories will be owned by you and # have default permissions. # # This archive contains: # # flair # flair/files # flair/files/Make.conf_openmpi-FreeBSD # flair/files/patch-Makefile # flair/distinfo # flair/Makefile # flair/pkg-descr # flair/pkg-plist # echo c - flair mkdir -p flair > /dev/null 2>&1 echo c - flair/files mkdir -p flair/files > /dev/null 2>&1 echo x - flair/files/Make.conf_openmpi-FreeBSD sed 's/^X//' >flair/files/Make.conf_openmpi-FreeBSD << '75f7867af8cd93b111edcc9a24bda7c5' X# Make.conf for flair X XINV = -DCPP_INVERSION XSOC = -DCPP_SOC XFLAIRFLAGS= # $(INV) # $(SOC) X X############################################################################### X# FreeBSD gfortran compiler X############################################################################### X X# the following options are a guide only. X#OPT = -O3 -ffast-math X# options suggested by Steve Kargel, a long-time gfortran developer XOPT = -O2 -funroll-loops -ftree-vectorize -march=native X X# lapack/blas library from system (often atlas, etc.) XLAPACK_SYS = -llapack -lblas X X# loader option: put path of libraries in executable when not in X# standard places X# LOPTIONS = -Wl,-rpath $(GFCDIR)/lib64 X XOPTFLAGS = $(OPT) XFOPTIONS = -ffree-form -DCPP_DOUBLE # -Wall XSTATIC = #-static -i-static XLAPACK = $(LAPACK_SYS) # system/atlas version XSCALAPACK = X X# Override PARFLAGS to build serial version, e.g. X# make PARFLAGS="" X XPARFLAGS ?= -DCPP_MPI -DCPP_MEIG XPARLIBS = X X# FC should be set in the environment, e.g. X# make FC=gfortran95 X XFFLAGS = $(OPTFLAGS) $(FOPTIONS) $(FLAIRFLAGS) $(PARFLAGS) XLDFLAGS = $(LOPTIONS) $(LAPACK) $(SCALAPACK) $(PARLIBS) 75f7867af8cd93b111edcc9a24bda7c5 echo x - flair/files/patch-Makefile sed 's/^X//' >flair/files/patch-Makefile << 'a1804ce67ce82630df2c209804d319af' X--- Makefile.orig 2011-11-11 11:32:14.000000000 -0600 X+++ Makefile 2011-12-14 18:45:30.000000000 -0600 X@@ -211,6 +211,37 @@ X X #------------------------------------------------------------------ X X+all: serial mpi X+ X+serial: flair_inv flair_complex flair_soc_inv flair_soc_complex X+ gmake clean # Rebuild all for MPI X+ X+mpi: flair_inv_mpi flair_complex_mpi flair_soc_inv_mpi flair_soc_complex_mpi X+ X+flair_inv: X+ gmake PARFLAGS="" real && mv flair flair_inv X+ X+flair_complex: X+ gmake PARFLAGS="" complex && mv flair flair_complex X+ X+flair_soc_inv: X+ gmake PARFLAGS="" soc_inv && mv flair flair_soc_inv X+ X+flair_soc_complex: X+ gmake PARFLAGS="" soc && mv flair flair_soc_complex X+ X+flair_inv_mpi: X+ gmake FC="mpif90" real && mv flair flair_inv_mpi X+ X+flair_complex_mpi: X+ gmake FC="mpif90" complex && mv flair flair_complex_mpi X+ X+flair_soc_inv_mpi: X+ gmake FC="mpif90" soc_inv && mv flair flair_soc_inv_mpi X+ X+flair_soc_complex_mpi: X+ gmake FC="mpif90" soc && mv flair flair_soc_complex_mpi X+ X flair: $(OBJMODSYM) $(OBJMOD) $(OBJMODF) \ X $(OBJ) $(OBJF) $(OBJOLD) $(OBJSYM) X @echo "...linking"; \ X@@ -226,13 +257,13 @@ X X # use recursive makes to generate other targets X real: touchinv X- make flair "FLAIRFLAGS=$(INV)" X+ gmake flair "FLAIRFLAGS=$(INV)" X complex: touchinv X- make flair "FLAIRFLAGS= " X+ gmake flair "FLAIRFLAGS= " X soc: touchsoc touchinv X- make flair "FLAIRFLAGS=$(SOC)" X+ gmake flair "FLAIRFLAGS=$(SOC)" X soc_inv: touchsoc touchinv X- make flair "FLAIRFLAGS=$(INV) $(SOC)" X+ gmake flair "FLAIRFLAGS=$(INV) $(SOC)" X X touchinv: X rm -f ${SRC_INV:.F=.o} X@@ -251,14 +282,14 @@ X X # documentation X docs: X- (cd ../docs; make html latexpdf) X+ (cd ../docs; gmake html latexpdf) X X # tasks X clean: X rm -f core *.o *.mod X X docsclean: X- (cd ../docs; make clean) X+ (cd ../docs; gmake clean) X X realclean: clean docsclean X a1804ce67ce82630df2c209804d319af echo x - flair/distinfo sed 's/^X//' >flair/distinfo << '06eb9bcbe3b899b66891b301d7359986' XSHA256 (flair-0.3.25.tar.gz) = 0635d4fa17943bffce1bbbefa6c23f894c6b913fbbc7c66e51b08cb6cbff983f XSIZE (flair-0.3.25.tar.gz) = 951322 06eb9bcbe3b899b66891b301d7359986 echo x - flair/Makefile sed 's/^X//' >flair/Makefile << '3a1abb15f841b85e4c9d37d99577d28e' X# New ports collection makefile for: flair X# Date created: 13 Dec 2011 X# Whom: Jason Bacon <jwbacon@tds.net> X# X# $FreeBSD$ X# X XPORTNAME= flair XPORTVERSION= 0.3.25 XCATEGORIES= math science XMASTER_SITES= https://pantherfile.uwm.edu/weinert/www/flair.html/ X XMAINTAINER= jwbacon@tds.net XCOMMENT= FLAPW method for bulk and thin films X X# LICENSE= Custom free software with restrictions X XLIB_DEPENDS= blas:${PORTSDIR}/math/blas \ X lapack:${PORTSDIR}/math/lapack \ X open-rte:${PORTSDIR}/net/openmpi X XWRKSRC= ${WRKDIR}/${PORTNAME}-${PORTVERSION}/src X XUSE_GMAKE= yes XUSE_FORTRAN= yes X XMAKE_ENV+= PATH=${PATH}:${PREFIX}/mpi/openmpi/bin X XRESTRICTED= Must request the source code at https://pantherfile.uwm.edu/weinert/www/flair.html X X.include <bsd.port.pre.mk> X X.if !defined(PACKAGE_BUILDING) && \ X !exists(${DISTDIR}/${PORTNAME}-${PORTVERSION}${EXTRACT_SUFX}) Xpre-everything:: X @${PRINTF} "\nPlease go to https://pantherfile.uwm.edu/weinert/www/flair.html to request the source distribution ${PORTNAME}-${PORTVERSION}${EXTRACT_SUFX} and place it in ${DISTDIR}.\n\n" | ${FMT} X @${FALSE} X.endif X Xpost-patch: X ${CP} -f ${FILESDIR}/Make.conf_openmpi-FreeBSD ${WRKSRC}/Make.conf X Xdo-install: X ${INSTALL_PROGRAM} ${WRKSRC}/flair_inv ${PREFIX}/bin X ${INSTALL_PROGRAM} ${WRKSRC}/flair_complex ${PREFIX}/bin X ${INSTALL_PROGRAM} ${WRKSRC}/flair_soc_inv ${PREFIX}/bin X ${INSTALL_PROGRAM} ${WRKSRC}/flair_soc_complex ${PREFIX}/bin X ${INSTALL_PROGRAM} ${WRKSRC}/flair_inv_mpi ${PREFIX}/bin X ${INSTALL_PROGRAM} ${WRKSRC}/flair_complex_mpi ${PREFIX}/bin X ${INSTALL_PROGRAM} ${WRKSRC}/flair_soc_inv_mpi ${PREFIX}/bin X ${INSTALL_PROGRAM} ${WRKSRC}/flair_soc_complex_mpi ${PREFIX}/bin X X.include <bsd.port.post.mk> 3a1abb15f841b85e4c9d37d99577d28e echo x - flair/pkg-descr sed 's/^X//' >flair/pkg-descr << 'a395511911cf2d8c0d882245cd5a4d4c' XImplementation of the Full-potential Linearized Augmented Plane Wave (FLAPW) Xmethod for bulk and thin films. X XWWW: https://pantherfile.uwm.edu/weinert/www/flair.html a395511911cf2d8c0d882245cd5a4d4c echo x - flair/pkg-plist sed 's/^X//' >flair/pkg-plist << 'c24db7a7decdecadd2b704f81834ce7b' Xbin/flair_inv Xbin/flair_complex Xbin/flair_soc_inv Xbin/flair_soc_complex Xbin/flair_inv_mpi Xbin/flair_complex_mpi Xbin/flair_soc_inv_mpi Xbin/flair_soc_complex_mpi c24db7a7decdecadd2b704f81834ce7b exit >Release-Note: >Audit-Trail: >Unformatted:
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