From mboxrd@z Thu Jan 1 00:00:00 1970 Return-Path: Received: from lists.gentoo.org (pigeon.gentoo.org [208.92.234.80]) by finch.gentoo.org (Postfix) with ESMTP id 61A7D198008 for ; Thu, 21 Feb 2013 22:56:57 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id 454A9E044C; Thu, 21 Feb 2013 22:56:56 +0000 (UTC) Received: from smtp.gentoo.org (smtp.gentoo.org [140.211.166.183]) (using TLSv1 with cipher AECDH-AES256-SHA (256/256 bits)) (No client certificate requested) by pigeon.gentoo.org (Postfix) with ESMTPS id 55DC2E0484 for ; Thu, 21 Feb 2013 22:56:55 +0000 (UTC) Received: from hornbill.gentoo.org (hornbill.gentoo.org [94.100.119.163]) (using TLSv1 with cipher AECDH-AES256-SHA (256/256 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id 3103233DF32 for ; Thu, 21 Feb 2013 22:56:54 +0000 (UTC) Received: from localhost.localdomain (localhost [127.0.0.1]) by hornbill.gentoo.org (Postfix) with ESMTP id C482CE4083 for ; Thu, 21 Feb 2013 22:56:52 +0000 (UTC) From: "Justin Lecher" To: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: 8bit Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Justin Lecher" Message-ID: <1361487232.0ee603f70316fcfea6f41ecaf3ba1d5340ddb024.jlec@gentoo> Subject: [gentoo-commits] proj/sci:master commit in: sci-physics/elk/ X-VCS-Repository: proj/sci X-VCS-Files: sci-physics/elk/ChangeLog sci-physics/elk/elk-1.4.22.ebuild sci-physics/elk/metadata.xml X-VCS-Directories: sci-physics/elk/ X-VCS-Committer: jlec X-VCS-Committer-Name: Justin Lecher X-VCS-Revision: 0ee603f70316fcfea6f41ecaf3ba1d5340ddb024 X-VCS-Branch: master Date: Thu, 21 Feb 2013 22:56:52 +0000 (UTC) Precedence: bulk List-Post: List-Help: List-Unsubscribe: List-Subscribe: List-Id: Gentoo Linux mail X-BeenThere: gentoo-commits@lists.gentoo.org X-Archives-Salt: 899dd33d-f0f6-4b64-b24d-af5a792b9662 X-Archives-Hash: c40f4138502bc36f358955c5183303d9 commit: 0ee603f70316fcfea6f41ecaf3ba1d5340ddb024 Author: Justin Lecher gentoo org> AuthorDate: Thu Feb 21 22:53:52 2013 +0000 Commit: Justin Lecher gentoo org> CommitDate: Thu Feb 21 22:53:52 2013 +0000 URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=0ee603f7 sci-physics/elk: Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config; add missing dep on virtual/pkgconfig; cleaning of ebuild Package-Manager: portage-2.2.0_alpha163 --- sci-physics/elk/ChangeLog | 6 ++- sci-physics/elk/elk-1.4.22.ebuild | 92 +++++++++++++++++------------------- sci-physics/elk/metadata.xml | 10 ++-- 3 files changed, 53 insertions(+), 55 deletions(-) diff --git a/sci-physics/elk/ChangeLog b/sci-physics/elk/ChangeLog index 9a96a38..996267a 100644 --- a/sci-physics/elk/ChangeLog +++ b/sci-physics/elk/ChangeLog @@ -1,7 +1,11 @@ # ChangeLog for sci-physics/elk -# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 +# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ + 21 Feb 2013; Justin Lecher elk-1.4.22.ebuild, metadata.xml: + Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config; + add missing dep on virtual/pkgconfig; cleaning of ebuild + *elk-1.4.22 (07 Jul 2012) 07 Jul 2012; Honza Macháček +elk-1.4.22.ebuild: diff --git a/sci-physics/elk/elk-1.4.22.ebuild b/sci-physics/elk/elk-1.4.22.ebuild index 27b3f3a..908a24a 100644 --- a/sci-physics/elk/elk-1.4.22.ebuild +++ b/sci-physics/elk/elk-1.4.22.ebuild @@ -1,12 +1,12 @@ -# Copyright 1999-2012 Gentoo Foundation +# Copyright 1999-2013 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: $ -EAPI="4" +EAPI=5 -inherit eutils fortran-2 multilib toolchain-funcs +inherit eutils flag-o-matic fortran-2 multilib toolchain-funcs -DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW) code with advanced features." +DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW)" HOMEPAGE="http://elk.sourceforge.net/" SRC_URI="mirror://sourceforge/${PN}/${P}.tgz" @@ -15,13 +15,15 @@ SLOT="0" KEYWORDS="~amd64 ~x86" IUSE="-debug lapack libxc mpi openmp perl test" -RDEPEND="lapack? ( virtual/blas +RDEPEND=" + lapack? ( + virtual/blas virtual/lapack ) libxc? ( =sci-libs/libxc-1*[fortran] ) mpi? ( virtual/mpi )" DEPEND="${RDEPEND} perl? ( dev-lang/perl ) - dev-util/pkgconfig" + virtual/pkgconfig" DOCS=( README ) @@ -38,65 +40,60 @@ pkg_setup() { tc-export FC F77 CC CXX fi - if use openmp; then - FORTRAN_NEED_OPENMP=1 - fi + use openmp && FORTRAN_NEED_OPENMP=1 fortran-2_pkg_setup - if use openmp; then - export FC="${FC} -fopenmp" - export F77="${F77} -fopenmp" - export CC="${CC} -fopenmp" - export CXX="${CXX} -fopenmp" - fi + use openmp && append-flags -fopenmp } src_prepare() { + rm -rf src/{BLAS,LAPACK} || die if use libxc; then - sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile" + sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile" || die fi if use mpi; then - sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile" + sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile" || die fi + + sed \ + -e "s: -o : ${LDFLAGS} -o :g" \ + -i src/{,eos,spacegroup}/Makefile || die } src_configure() { - FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O3 -funroll-loops -ffast-math}}" - FCFLAGS="${FCFLAGS} -I/usr/include -I/usr/$(get_libdir)/finclude" - CFLAGS="${CFLAGS:- -O3 -funroll-loops -ffast-math}" - CXXFLAGS="${CXXFLAGS:- ${CFLAGS}}" - export FCFLAGS CFLAGS CXXFLAGS - echo "MAKE = make" > make.inc - echo "F90 = $FC" >> make.inc - echo "F90_OPTS = $FCFLAGS" >> make.inc - echo "F77 = $FC" >> make.inc - echo "F77_OPTS = $FCFLAGS" >> make.inc - echo "CC = ${CC}" >> make.inc - echo "CXX = ${CXX}" >> make.inc - echo "CFLAGS = ${CFLAGS}" >> make.inc - echo "CXXFLAGS = ${CXXFLAGS}" >> make.inc - echo "LD = $(tc-getLD)" >> make.inc - echo "AR = ar" >> make.inc - echo "LIB_SYS = " >> make.inc - if use lapack; then - echo "LIB_LPK = $(pkg-config --libs lapack)" >> make.inc - else - echo "LIB_LPK = lapack.a blas.a" >> make.inc - fi - echo "LIB_FFT = fftlib.a" >> make.inc + append-fflags -I/usr/include -I/usr/$(get_libdir)/finclude + + cat > make.inc <<- EOF + MAKE = make + F90 = $(tc-getFC) + F90_OPTS = ${FCFLAGS} + F77 = $(tc-getF77) + F77_OPTS = ${FFLAGS} + CC = $(tc-getCC) + CXX = $(tc-getCXX) + CFLAGS = ${CFLAGS} + CXXFLAGS = ${CXXFLAGS} + LD = $(tc-getLD) + AR = $(tc-getAR) + LIB_SYS = + LIB_LPK = $(pkg-config --libs lapack) + LIB_FFT = fftlib.a + EOF + if use libxc; then echo "LIB_XC = -L/usr/$(get_libdir) -lxc" >> make.inc echo "SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90" >>make.inc fi } -src_compile() { - emake -j1 || die "make failed" -} +MAKEOPTS+=" -j1" -src_test() { - emake test +src_compile() { + emake -C src fft + emake -C src elk + emake -C src/eos + emake -C src/spacegroup } src_install() { @@ -108,8 +105,5 @@ src_install() { dodoc $doc done insinto /usr/share/${P} - doins -r species - doins -r utilities - doins -r examples - doins -r tests + doins -r species utilities examples tests } diff --git a/sci-physics/elk/metadata.xml b/sci-physics/elk/metadata.xml index 1ad6121..992e407 100644 --- a/sci-physics/elk/metadata.xml +++ b/sci-physics/elk/metadata.xml @@ -1,13 +1,13 @@ -sci-physics - + sci-physics + Elk is an all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features. Written originally at Karl-Franzens-Universität Graz as a milestone of the EXCITING EU Research and Training Network, the code is designed to be as simple as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably. The code is freely available under the GNU General Public License. - - + + Use sci-libs/libxc library of exchange-correlation functionals by ETSF. - +