From mboxrd@z Thu Jan 1 00:00:00 1970 Return-Path: Received: from lists.gentoo.org (pigeon.gentoo.org [208.92.234.80]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (No client certificate requested) by finch.gentoo.org (Postfix) with ESMTPS id E89DA139085 for ; Wed, 11 Jan 2017 15:23:33 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id 20BD723405E; Wed, 11 Jan 2017 15:23:33 +0000 (UTC) Received: from smtp.gentoo.org (smtp.gentoo.org [140.211.166.183]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (No client certificate requested) by pigeon.gentoo.org (Postfix) with ESMTPS id E167923405E for ; Wed, 11 Jan 2017 15:23:32 +0000 (UTC) Received: from oystercatcher.gentoo.org (oystercatcher.gentoo.org [148.251.78.52]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id DAD5F3412B7 for ; Wed, 11 Jan 2017 15:23:30 +0000 (UTC) Received: from localhost.localdomain (localhost [127.0.0.1]) by oystercatcher.gentoo.org (Postfix) with ESMTP id 61903261E for ; Wed, 11 Jan 2017 15:23:28 +0000 (UTC) From: "Honza Macháček" To: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: 8bit Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Honza Macháček" Message-ID: <1484148177.0b3b0e02bf6e7630c5b71b8f1f90bd547626c697.honza_machacek@gentoo> Subject: [gentoo-commits] proj/sci:master commit in: sci-libs/libxc/ X-VCS-Repository: proj/sci X-VCS-Files: sci-libs/libxc/libxc-2.1.2.ebuild sci-libs/libxc/libxc-2.1.3.ebuild sci-libs/libxc/libxc-2.2.2.ebuild sci-libs/libxc/libxc-2.2.3.ebuild sci-libs/libxc/libxc-3.0.0.ebuild sci-libs/libxc/metadata.xml X-VCS-Directories: sci-libs/libxc/ X-VCS-Committer: honza_machacek X-VCS-Committer-Name: Honza Macháček X-VCS-Revision: 0b3b0e02bf6e7630c5b71b8f1f90bd547626c697 X-VCS-Branch: master Date: Wed, 11 Jan 2017 15:23:28 +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: 60308aea-9741-4d1c-bdd2-63dc6e26aa0c X-Archives-Hash: 2202ab54281874a1d3632d3082c72161 commit: 0b3b0e02bf6e7630c5b71b8f1f90bd547626c697 Author: Honza Macháček centrum cz> AuthorDate: Wed Jan 11 15:22:57 2017 +0000 Commit: Honza Macháček centrum cz> CommitDate: Wed Jan 11 15:22:57 2017 +0000 URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=0b3b0e02 Versions of sci-libs/libxc bumped to 2.1.3 (legacy monolitic library) and 2.2.3 (separate C, and F90 libraries). Added sci-libs/libxc-3.0.0 (separate C, F90, and F03 libraries). Package-Manager: Portage-2.3.2, Repoman-2.3.1 .../{libxc-2.1.2.ebuild => libxc-2.1.3.ebuild} | 4 ++-- .../{libxc-2.2.2.ebuild => libxc-2.2.3.ebuild} | 4 ++-- .../{libxc-2.1.2.ebuild => libxc-3.0.0.ebuild} | 4 ++-- sci-libs/libxc/metadata.xml | 23 ++++++++++++++++++++++ 4 files changed, 29 insertions(+), 6 deletions(-) diff --git a/sci-libs/libxc/libxc-2.1.2.ebuild b/sci-libs/libxc/libxc-2.1.3.ebuild similarity index 92% copy from sci-libs/libxc/libxc-2.1.2.ebuild copy to sci-libs/libxc/libxc-2.1.3.ebuild index cc3c091..a15d5cd 100644 --- a/sci-libs/libxc/libxc-2.1.2.ebuild +++ b/sci-libs/libxc/libxc-2.1.3.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2015 Gentoo Foundation +# Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Id$ @@ -11,7 +11,7 @@ inherit autotools-utils flag-o-matic fortran-2 multilib MY_P=${P//_/-} DESCRIPTION="A library of exchange-correlation functionals for use in DFT" -HOMEPAGE="http://www.tddft.org/programs/octopus/wiki/index.php/Libxc" +HOMEPAGE="http://octopus-code.org/wiki/Libxc" SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz" LICENSE="LGPL-3" diff --git a/sci-libs/libxc/libxc-2.2.2.ebuild b/sci-libs/libxc/libxc-2.2.3.ebuild similarity index 92% rename from sci-libs/libxc/libxc-2.2.2.ebuild rename to sci-libs/libxc/libxc-2.2.3.ebuild index cc3c091..a15d5cd 100644 --- a/sci-libs/libxc/libxc-2.2.2.ebuild +++ b/sci-libs/libxc/libxc-2.2.3.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2015 Gentoo Foundation +# Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Id$ @@ -11,7 +11,7 @@ inherit autotools-utils flag-o-matic fortran-2 multilib MY_P=${P//_/-} DESCRIPTION="A library of exchange-correlation functionals for use in DFT" -HOMEPAGE="http://www.tddft.org/programs/octopus/wiki/index.php/Libxc" +HOMEPAGE="http://octopus-code.org/wiki/Libxc" SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz" LICENSE="LGPL-3" diff --git a/sci-libs/libxc/libxc-2.1.2.ebuild b/sci-libs/libxc/libxc-3.0.0.ebuild similarity index 92% rename from sci-libs/libxc/libxc-2.1.2.ebuild rename to sci-libs/libxc/libxc-3.0.0.ebuild index cc3c091..a15d5cd 100644 --- a/sci-libs/libxc/libxc-2.1.2.ebuild +++ b/sci-libs/libxc/libxc-3.0.0.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2015 Gentoo Foundation +# Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Id$ @@ -11,7 +11,7 @@ inherit autotools-utils flag-o-matic fortran-2 multilib MY_P=${P//_/-} DESCRIPTION="A library of exchange-correlation functionals for use in DFT" -HOMEPAGE="http://www.tddft.org/programs/octopus/wiki/index.php/Libxc" +HOMEPAGE="http://octopus-code.org/wiki/Libxc" SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz" LICENSE="LGPL-3" diff --git a/sci-libs/libxc/metadata.xml b/sci-libs/libxc/metadata.xml index 8425c0d..b667145 100644 --- a/sci-libs/libxc/metadata.xml +++ b/sci-libs/libxc/metadata.xml @@ -5,4 +5,27 @@ sci@gentoo.org Gentoo Science Project + + Hloupy.Honza@centrum.cz + Honza Macháček + + + Libxc is a library of exchange-correlation functionals for density-functional theory. + The aim is to provide a portable, well tested and reliable set of exchange and correlation + functionals that can be used by all the ETSF codes and also other codes. + + In Libxc you can find different types of functionals: LDA, GGA, hybrids, and mGGA (experimental). + These functionals depend on local information, in the sense that the value of the potential + at a given point depends only on the values of the density -- and the gradient of the density + and the kinetic energy density, for the GGA and mGGA cases. + + It can calculate the functional itself and its derivative; for some functionals, + higher-order derivatives are available. + + Libxc is written in C and has Fortran bindings. It is released under the LGPL license (v. 3.0). + Contributions are welcome. + + + http://octopus-code.org/wiki/Libxc:manual +