From mboxrd@z Thu Jan 1 00:00:00 1970 Received: from pigeon.gentoo.org ([208.92.234.80] helo=lists.gentoo.org) by finch.gentoo.org with esmtp (Exim 4.60) (envelope-from ) id 1Raopp-0002QY-SM for garchives@archives.gentoo.org; Wed, 14 Dec 2011 13:25:26 +0000 Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id EEC04E0486; Wed, 14 Dec 2011 13:25:17 +0000 (UTC) Received: from smtp.gentoo.org (smtp.gentoo.org [140.211.166.183]) by pigeon.gentoo.org (Postfix) with ESMTP id AC985E0486 for ; Wed, 14 Dec 2011 13:25:17 +0000 (UTC) Received: from pelican.gentoo.org (unknown [66.219.59.40]) (using TLSv1 with cipher AECDH-AES256-SHA (256/256 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id 1B3AC1B400F for ; Wed, 14 Dec 2011 13:25:17 +0000 (UTC) Received: from localhost.localdomain (localhost [127.0.0.1]) by pelican.gentoo.org (Postfix) with ESMTP id 34FB38004A for ; Wed, 14 Dec 2011 13:25:16 +0000 (UTC) From: "Honza Macháček" To: gentoo-commits@lists.gentoo.org Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Honza Macháček" Message-ID: <3f27ec4bd917aa7c310ded708f1aaa041ba4bb61.honza_machacek@gentoo> Subject: [gentoo-commits] proj/sci:master commit in: sci-libs/bigdft/, sci-libs/bigdft/files/, sci-physics/abinit/, sci-libs/libxc/ X-VCS-Repository: proj/sci X-VCS-Files: sci-libs/bigdft/ChangeLog sci-libs/bigdft/bigdft-1.2.0.2.ebuild sci-libs/bigdft/bigdft-1.2.0.5.ebuild sci-libs/bigdft/files/bigdft-1.2.0.5-0001.patch sci-libs/libxc/ChangeLog sci-libs/libxc/libxc-1.1.0.ebuild sci-physics/abinit/ChangeLog sci-physics/abinit/abinit-6.10.3.ebuild sci-physics/abinit/abinit-6.8.1.ebuild sci-physics/abinit/metadata.xml X-VCS-Directories: sci-libs/bigdft/ sci-libs/bigdft/files/ sci-physics/abinit/ sci-libs/libxc/ X-VCS-Committer: honza_machacek X-VCS-Committer-Name: Honza Macháček X-VCS-Revision: 3f27ec4bd917aa7c310ded708f1aaa041ba4bb61 Date: Wed, 14 Dec 2011 13:25:16 +0000 (UTC) Precedence: bulk List-Post: List-Help: List-Unsubscribe: List-Subscribe: List-Id: Gentoo Linux mail X-BeenThere: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: quoted-printable X-Archives-Salt: 2acbd41b-1087-4ddb-b2a8-c286fa5c7852 X-Archives-Hash: 21d869b96715aeac95758fff27d3b52c commit: 3f27ec4bd917aa7c310ded708f1aaa041ba4bb61 Author: Honza Mach=C3=A1=C4=8Dek centrum cz> AuthorDate: Wed Dec 14 13:24:36 2011 +0000 Commit: Honza Mach=C3=A1=C4=8Dek centrum cz> CommitDate: Wed Dec 14 13:24:36 2011 +0000 URL: http://git.overlays.gentoo.org/gitweb/?p=3Dproj/sci.git;a=3Dc= ommit;h=3D3f27ec4b sci-physics/abinit updated to 6.10.3, sci-libs/bigdft to 1.2.0.5, and sci= -libs/libxc to 1.1.0 --- sci-libs/bigdft/ChangeLog | 8 ++ sci-libs/bigdft/bigdft-1.2.0.2.ebuild | 2 +- ...bigdft-1.2.0.2.ebuild =3D> bigdft-1.2.0.5.ebuild} | 13 +-- sci-libs/bigdft/files/bigdft-1.2.0.5-0001.patch | 13 +++ sci-libs/libxc/ChangeLog | 5 + sci-libs/libxc/libxc-1.1.0.ebuild | 50 ++++++++++++ sci-physics/abinit/ChangeLog | 8 ++ .../{abinit-6.8.1.ebuild =3D> abinit-6.10.3.ebuild} | 83 ++++++++++++= ++++---- sci-physics/abinit/metadata.xml | 5 + 9 files changed, 164 insertions(+), 23 deletions(-) diff --git a/sci-libs/bigdft/ChangeLog b/sci-libs/bigdft/ChangeLog index 49be94c..74f12e7 100644 --- a/sci-libs/bigdft/ChangeLog +++ b/sci-libs/bigdft/ChangeLog @@ -2,6 +2,14 @@ # Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ =20 +*bigdft-1.2.0.5 (14 Dec 2011) + + 14 Dec 2011; Honza Mach=C3=A1=C4=8Dek + bigdft-1.2.0.2.ebuild, +bigdft-1.2.0.5.ebuild, + +files/bigdft-1.2.0.5-0001.patch: + Version bump to 1.2.0.5 for sci-physics/abinit-6.10.3; still not much + progress towards the current version (1.5.2 and 1.6-tuto) + 11 Jul 2011; Honza Mach=C3=A1=C4=8Dek bigdft-1.2.0.2.ebuild: The MPI support, broken by fortran-2.eclass usage, made work again. diff --git a/sci-libs/bigdft/bigdft-1.2.0.2.ebuild b/sci-libs/bigdft/bigd= ft-1.2.0.2.ebuild index dc03955..fc3d383 100644 --- a/sci-libs/bigdft/bigdft-1.2.0.2.ebuild +++ b/sci-libs/bigdft/bigdft-1.2.0.2.ebuild @@ -18,7 +18,7 @@ KEYWORDS=3D"~amd64 ~x86" IUSE=3D"cuda doc mpi test" =20 RDEPEND=3D" - =3Dsci-libs/libxc-1.0[fortran] + =3Dsci-libs/libxc-1*[fortran] virtual/blas virtual/fortran virtual/lapack diff --git a/sci-libs/bigdft/bigdft-1.2.0.2.ebuild b/sci-libs/bigdft/bigd= ft-1.2.0.5.ebuild similarity index 84% copy from sci-libs/bigdft/bigdft-1.2.0.2.ebuild copy to sci-libs/bigdft/bigdft-1.2.0.5.ebuild index dc03955..43b4bd9 100644 --- a/sci-libs/bigdft/bigdft-1.2.0.2.ebuild +++ b/sci-libs/bigdft/bigdft-1.2.0.5.ebuild @@ -18,7 +18,7 @@ KEYWORDS=3D"~amd64 ~x86" IUSE=3D"cuda doc mpi test" =20 RDEPEND=3D" - =3Dsci-libs/libxc-1.0[fortran] + =3Dsci-libs/libxc-1*[fortran] virtual/blas virtual/fortran virtual/lapack @@ -32,10 +32,7 @@ DEPEND=3D"${RDEPEND} src_prepare() { epatch \ "${FILESDIR}"/${P}-0001.patch \ - "${FILESDIR}"/${P}-0002.patch \ - "${FILESDIR}"/${P}-0003.patch \ - "${FILESDIR}"/${P}-0004.patch \ - "${FILESDIR}"/${P}-testH.patch + "${FILESDIR}"/${PN}-1.2.0.2-testH.patch =20 rm -r src/PSolver/ABINIT-common mv ../${PN}-1.3.2/src/PSolver/ABINIT-common src/PSolver/ @@ -71,9 +68,9 @@ src_configure() { } =20 src_compile() { - emake -j1 HAVE_LIBXC=3D1 || die "make failed" + emake -j1 HAVE_ETSF_XC=3D1 || die "make failed" if use doc; then - emake HAVE_LIBXC=3D1 doc || die "make doc failed" + emake HAVE_ETSF_XC=3D1 doc || die "make doc failed" fi } =20 @@ -84,6 +81,6 @@ src_test() { } =20 src_install() { - emake HAVE_LIBXC=3D1 DESTDIR=3D"${D}" install || die "install failed" + emake HAVE_ETSF_XC=3D1 DESTDIR=3D"${D}" install || die "install failed" dodoc README INSTALL ChangeLog AUTHORS NEWS || die "dodoc failed" } diff --git a/sci-libs/bigdft/files/bigdft-1.2.0.5-0001.patch b/sci-libs/b= igdft/files/bigdft-1.2.0.5-0001.patch new file mode 100644 index 0000000..32f95af --- /dev/null +++ b/sci-libs/bigdft/files/bigdft-1.2.0.5-0001.patch @@ -0,0 +1,13 @@ +--- bigdft-1.2.0.5/configure 2011-11-04 15:35:33.000000000 +0100 ++++ bigdft-1.2.0.5-new/configure 2011-11-19 21:06:31.000000000 +0100 +@@ -4736,6 +4736,9 @@ + "mipspro") + capitalize_module=3Dyes + capitalize_module_ext=3D"mod" ;; ++ "open64") ++ capitalize_module=3Dyes ++ capitalize_module_ext=3D"mod" ;; + *) + capitalize_module=3Dno + capitalize_module_ext=3D"mod" ;; + diff --git a/sci-libs/libxc/ChangeLog b/sci-libs/libxc/ChangeLog index 3b4cab9..efe5b55 100644 --- a/sci-libs/libxc/ChangeLog +++ b/sci-libs/libxc/ChangeLog @@ -2,6 +2,11 @@ # Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ =20 +*libxc-1.1.0 (14 Dec 2011) + + 14 Dec 2011; Honza Mach=C3=A1=C4=8Dek +libxc= -1.1.0.ebuild: + Version bump to 1.1.0 + 21 Jun 2011; Justin Lecher libxc-1.0.ebuild, libxc-9999.ebuild: Added fortran-2.eclass support diff --git a/sci-libs/libxc/libxc-1.1.0.ebuild b/sci-libs/libxc/libxc-1.1= .0.ebuild new file mode 100644 index 0000000..576307c --- /dev/null +++ b/sci-libs/libxc/libxc-1.1.0.ebuild @@ -0,0 +1,50 @@ +# Copyright 1999-2011 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: $ + +EAPI=3D3 + +inherit fortran-2 multilib toolchain-funcs + +MY_P=3D${P//_/-} + +DESCRIPTION=3D"A library of exchange-correlation functionals for use in = DFT" +HOMEPAGE=3D"http://www.tddft.org/programs/octopus/wiki/index.php/Libxc/" +SRC_URI=3D"http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar= .gz" + +LICENSE=3D"LGPL-3" +SLOT=3D"0" +KEYWORDS=3D"~amd64 ~x86" +IUSE=3D"fortran" + +S=3D"${WORKDIR}"/${MY_P} + +src_configure() { + econf \ + $(use_enable fortran) \ + FCFLAGS=3D"${FCFLAGS:- ${FFLAGS:- -O2}}" +} + +## Upstream recommends not running the test suite because it requires +## human expert interpretation to determine whether output is an error o= r +## expected under certain circumstances. +# src_test() { :; } + +src_compile() { + emake -j1 || die +} + +src_install() { + emake DESTDIR=3D"${D}" install || die + + dodoc README ChangeLog AUTHORS || die + + if use fortran; then + # argument for this: --with-moduledir from etsf_io/bigdft + insinto /usr/$(get_libdir)/finclude + pushd src >/dev/null + doins *.mod || die + rm -f "${D}"/usr/include/*.mod || die + popd >/dev/null + fi +} diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog index 5fb986c..b6b8822 100644 --- a/sci-physics/abinit/ChangeLog +++ b/sci-physics/abinit/ChangeLog @@ -2,6 +2,14 @@ # Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ =20 +*abinit-6.10.3 (14 Dec 2011) + + 14 Dec 2011; Honza Mach=C3=A1=C4=8Dek -abini= t-6.8.1.ebuild, + +abinit-6.10.3.ebuild, metadata.xml: + Version bump to 6.10.3, gui use-flag added. Update of sci-libs/bigdft = to 1.2.0.5 was necessary, + sci-libs/libxc updated to 1.1.0 alongside. Ebuild for abinit-6.8.1 rem= oved, + 6.6.3 and 6.10.1 retained for now. + *abinit-6.10.1 (09 Nov 2011) =20 09 Nov 2011; Honza Mach=C3=A1=C4=8Dek diff --git a/sci-physics/abinit/abinit-6.8.1.ebuild b/sci-physics/abinit/= abinit-6.10.3.ebuild similarity index 71% rename from sci-physics/abinit/abinit-6.8.1.ebuild rename to sci-physics/abinit/abinit-6.10.3.ebuild index 3799d05..f073558 100644 --- a/sci-physics/abinit/abinit-6.8.1.ebuild +++ b/sci-physics/abinit/abinit-6.10.3.ebuild @@ -13,11 +13,11 @@ SRC_URI=3D"http://ftp.abinit.org/${P}.tar.gz" LICENSE=3D"GPL-2" SLOT=3D"0" KEYWORDS=3D"~amd64 ~x86" -IUSE=3D"cuda -debug +fftw +fox gsl +hdf5 mpi +netcdf python -test +threa= ds -vdwxc" +IUSE=3D"cuda -debug +fftw +fftw-threads +fox gsl gui +hdf5 mpi +netcdf p= ython -test +threads -vdwxc" =20 -RDEPEND=3D">=3Dsci-libs/bigdft-1.2.0.2 +RDEPEND=3D">=3Dsci-libs/bigdft-1.2.0.5 sci-libs/etsf_io - =3Dsci-libs/libxc-1.0[fortran] + =3Dsci-libs/libxc-1*[fortran] sci-physics/atompaw[libxc] fox? ( sci-libs/fox[dom,sax,wcml,wxml] ) netcdf? ( @@ -33,17 +33,22 @@ RDEPEND=3D">=3Dsci-libs/bigdft-1.2.0.2 gsl? ( sci-libs/gsl ) fftw? ( sci-libs/fftw:3.0 - threads? ( sci-libs/fftw:3.0[threads] ) + fftw-threads? ( sci-libs/fftw:3.0[threads] ) ) mpi? ( virtual/mpi ) python? ( dev-python/numpy ) cuda? ( dev-util/nvidia-cuda-sdk )" DEPEND=3D"${RDEPEND} dev-util/pkgconfig + gui? ( >=3Dvirtual/jdk-1.6.0 + app-arch/sharutils + sys-apps/gawk ) dev-perl/Text-Markdown" =20 S=3D${WORKDIR}/${P%[a-z]} =20 +lat1loc=3D"" + pkg_setup() { fortran-2_pkg_setup # Doesn't compile with gcc-4.0, only >=3D4.1 @@ -53,6 +58,27 @@ pkg_setup() { die "Requires gcc-4.1 or newer" fi fi + if use fftw-threads && ! use fftw; then + ewarn "fftw-threads set but fftw not used, ignored" + fi + if use gui; then + lat1loc=3D"$(locale |awk '/LC_CTYPE=3D"(.*)"/{sub("LC_CTYPE=3D\"","");= sub("\" *$", ""); print}')" + if locale charmap |grep -i "\"; then + einfo "Good, locale compatible with the GUI build" + else + ewarn "The locale ${lat1loc} incompatible with the GUI build" + if latloc=3D`locale -a| grep -i "\"`; then + if echo "${latloc}" |grep -q "^fr"; then + lat1loc=3D"$(echo "${latloc}" | grep -im1 "^fr")" + else + lat1loc=3D"$(echo "${latloc}" | grep -im1 "iso88591")" + fi + einfo "Will use ${lat1loc} to build the GUI" + else + ewarn "No ISO-8859-1 nor ISO-8859-15 locale available, the GUI build= may crash" + fi + fi + fi } =20 src_prepare() { @@ -72,16 +98,28 @@ src_configure() { use hdf5 && netcdff_libs=3D"${netcdff_libs} -lhdf5_fortran" local fft_flavor=3D"fftw3" local fft_libs=3D"-L/usr/lib" - # Since now, fftw threads support is protected by black magick. - # Anybody removes it again, dies. - # If it does not work FOR YOU, disable the "threads" USE flag - # for the package at YOUR box. If YOU want it disabled selectively - # for fftw use in abinit, you may consider adding a special USE flag - # for that. NEVER REMOVE AN OPTION FOR OTHERS, at least if there is - # anybody it works for. - if use threads; then - fft_libs=3D"${fft_libs} $(pkg-config --libs fftw3_threads)" + # The fftw threads support is protected by black magick. + # Anybody removes it, dies. + # New USE flag "fftw-threads" was added to control usage + # of the threaded fftw variant. Since fftw-3.3 has expanded + # the paralel options by MPI and OpenMP support, analogical + # USE flags should be added to select them in future; + # unusable with previous FFTW versions, they are postponed + # for now. + if use fftw-threads; then fft_flavor=3D"fftw3-threads" + if has_version '>=3Dsci-libs/fftw-3.3'; then + # pkg-config files for fftw-3.3 are broken + # All the parallel stuff is separated + # from the main body of common routines, + # and -lfftw3 must be always included alongside. + # Until version 3.3 this used to be masked by + # .la files. + # Bug 384645 + fft_libs=3D"${fft_libs} $(pkg-config --libs fftw3_threads) $(pkg-conf= ig --libs fftw3)" + else + fft_libs=3D"${fft_libs} $(pkg-config --libs fftw3_threads)" + fi else fft_libs=3D"${fft_libs} $(pkg-config --libs fftw3)" fi @@ -134,10 +172,21 @@ src_configure() { CXX=3D"${MY_CXX}" \ LD=3D"$(tc-getLD)" \ FCFLAGS=3D"${FCFLAGS:- ${FFLAGS:- -O2}} ${modules} -I/usr/include" + + if use gui; then + cd gui + ./bootstrap.sh + econf + fi } =20 src_compile() { - emake || die + emake || die "make failed" + + if use gui; then + cd gui + LC_CTYPE=3D"${lat1loc}" emake || die "Making GUI failed" + fi } =20 src_test() { @@ -185,6 +234,12 @@ src_install() { dodoc tests/summary_of_tests.tar || ewarn "Copying tests results faile= d" fi =20 + if use gui; then + ( cd gui + emake DESTDIR=3D"${D}" install || die "The GUI install failed" ) + fi + + dodoc KNOWN_PROBLEMS README || die "Copying doc files failed" } =20 diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadat= a.xml index 834b78f..f1e580e 100644 --- a/sci-physics/abinit/metadata.xml +++ b/sci-physics/abinit/metadata.xml @@ -21,6 +21,11 @@ ABINIT is a package whose main program allows one to f= ind the total energy, char + + Build the abinit GUI (requires java) + + + Activate van der Waals exchange-correlation