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 E2F7E139694 for ; Fri, 14 Apr 2017 19:00:27 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id 1D623E0D72; Fri, 14 Apr 2017 19:00:17 +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 D98A6E0D72 for ; Fri, 14 Apr 2017 19:00:11 +0000 (UTC) Received: from oystercatcher.gentoo.org (oystercatcher.gentoo.org [148.251.78.52]) (using TLSv1.2 with cipher ECDHE-RSA-AES128-GCM-SHA256 (128/128 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id BF38E341697 for ; Fri, 14 Apr 2017 19:00:10 +0000 (UTC) Received: from localhost.localdomain (localhost [IPv6:::1]) by oystercatcher.gentoo.org (Postfix) with ESMTP id 94ABB7433 for ; Fri, 14 Apr 2017 19:00:01 +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: <1492196399.867cd6b2da3eef8f3b11e3e7fb826eac9350ecef.jlec@gentoo> Subject: [gentoo-commits] repo/gentoo:master commit in: sci-libs/libghemical/ X-VCS-Repository: repo/gentoo X-VCS-Files: sci-libs/libghemical/libghemical-3.0.0.ebuild sci-libs/libghemical/metadata.xml X-VCS-Directories: sci-libs/libghemical/ X-VCS-Committer: jlec X-VCS-Committer-Name: Justin Lecher X-VCS-Revision: 867cd6b2da3eef8f3b11e3e7fb826eac9350ecef X-VCS-Branch: master Date: Fri, 14 Apr 2017 19:00:01 +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: ce1b2b05-5c8d-4740-93cb-393a3e27e061 X-Archives-Hash: 8dd3f63a22b2f910b3ee4b13e965ee8a commit: 867cd6b2da3eef8f3b11e3e7fb826eac9350ecef Author: Justin Lecher gentoo org> AuthorDate: Fri Apr 14 18:48:59 2017 +0000 Commit: Justin Lecher gentoo org> CommitDate: Fri Apr 14 18:59:59 2017 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=867cd6b2 sci-libs/libghemical: Bump EAPI to 6 Package-Manager: Portage-2.3.5, Repoman-2.3.2 Signed-off-by: Justin Lecher gentoo.org> sci-libs/libghemical/libghemical-3.0.0.ebuild | 17 ++++++++--------- sci-libs/libghemical/metadata.xml | 18 +++++++++--------- 2 files changed, 17 insertions(+), 18 deletions(-) diff --git a/sci-libs/libghemical/libghemical-3.0.0.ebuild b/sci-libs/libghemical/libghemical-3.0.0.ebuild index dad5a06fbfc..6e178a30474 100644 --- a/sci-libs/libghemical/libghemical-3.0.0.ebuild +++ b/sci-libs/libghemical/libghemical-3.0.0.ebuild @@ -1,9 +1,9 @@ -# Copyright 1999-2013 Gentoo Foundation +# Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 -EAPI="3" +EAPI=6 -inherit autotools eutils +inherit autotools DESCRIPTION="Chemical quantum mechanics and molecular mechanics" HOMEPAGE="http://bioinformatics.org/ghemical/" @@ -19,12 +19,15 @@ RDEPEND=" mpqc? ( >=sci-chemistry/mpqc-2.3.1-r1 virtual/blas - virtual/lapack )" + virtual/lapack + )" DEPEND="${RDEPEND} virtual/pkgconfig" +PATCHES=( "${FILESDIR}"/${PN}-2.98-gl.patch ) + src_prepare() { - epatch "${FILESDIR}"/${PN}-2.98-gl.patch + default eautoreconf } @@ -35,7 +38,3 @@ src_configure() { $(use_enable mpqc) \ $(use_enable static-libs static) } - -src_install() { - emake DESTDIR="${D}" install || die "install failed" -} diff --git a/sci-libs/libghemical/metadata.xml b/sci-libs/libghemical/metadata.xml index 0835bbd6d8c..82a6530d10c 100644 --- a/sci-libs/libghemical/metadata.xml +++ b/sci-libs/libghemical/metadata.xml @@ -1,21 +1,21 @@ - - sci-chemistry@gentoo.org - Gentoo Chemistry Project - - + + sci-chemistry@gentoo.org + Gentoo Chemistry Project + + Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models and molecular mechanics models (there is an experimental Tripos 5.2-like force field for organic molecules). Also a tool for reduced protein models is included. Geometry optimization, molecular dynamics and a large set of visualization tools are currently available. - - Use sci-chemistry/mopac7 for semi-empirical + + Use sci-chemistry/mopac7 for semi-empirical calculations - Use sci-chemistry/mpqc for quantum-mechanical + Use sci-chemistry/mpqc for quantum-mechanical calculations - +