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 BCDB613829C for ; Tue, 7 Jun 2016 08:53:06 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id 0EACF21C028; Tue, 7 Jun 2016 08:53:05 +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 A0E6B21C028 for ; Tue, 7 Jun 2016 08:53:04 +0000 (UTC) Received: from oystercatcher.gentoo.org (unknown [IPv6:2a01:4f8:202:4333:225:90ff:fed9:fc84]) (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 CFA65340CCA for ; Tue, 7 Jun 2016 08:52:59 +0000 (UTC) Received: from localhost.localdomain (localhost [127.0.0.1]) by oystercatcher.gentoo.org (Postfix) with ESMTP id 906B016C5 for ; Tue, 7 Jun 2016 08:52:57 +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: <1465289554.6a570714eafe29fa3525ebbb6c096187b73b19c1.honza_machacek@gentoo> Subject: [gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/ X-VCS-Repository: proj/sci X-VCS-Files: sci-physics/atompaw/atompaw-4.0.0.13.ebuild X-VCS-Directories: sci-physics/atompaw/ X-VCS-Committer: honza_machacek X-VCS-Committer-Name: Honza Macháček X-VCS-Revision: 6a570714eafe29fa3525ebbb6c096187b73b19c1 X-VCS-Branch: master Date: Tue, 7 Jun 2016 08:52:57 +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: 51171a62-64aa-48ee-97c4-6378fdeb0f38 X-Archives-Hash: 4fbdb73fb4f3661d7c97495cacc303bf commit: 6a570714eafe29fa3525ebbb6c096187b73b19c1 Author: Honza Macháček centrum cz> AuthorDate: Tue Jun 7 08:52:34 2016 +0000 Commit: Honza Macháček centrum cz> CommitDate: Tue Jun 7 08:52:34 2016 +0000 URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=6a570714 sci-chemistry/atompaw version bumped to 4.0.0.13 Package-Manager: portage-2.2.27 sci-physics/atompaw/atompaw-4.0.0.13.ebuild | 69 +++++++++++++++++++++++++++++ 1 file changed, 69 insertions(+) diff --git a/sci-physics/atompaw/atompaw-4.0.0.13.ebuild b/sci-physics/atompaw/atompaw-4.0.0.13.ebuild new file mode 100644 index 0000000..1251b17 --- /dev/null +++ b/sci-physics/atompaw/atompaw-4.0.0.13.ebuild @@ -0,0 +1,69 @@ +# Copyright 1999-2014 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +inherit autotools-utils eutils fortran-2 multilib toolchain-funcs + +DESCRIPTION="PAW atomic data generator" +HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html" +SRC_URI=" + http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz + doc? ( + http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf + http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="doc libxc longplot test" + +RDEPEND=" + virtual/blas + virtual/lapack + libxc? ( >=sci-libs/libxc-2.0.1[fortran] )" +DEPEND="${RDEPEND} + virtual/pkgconfig" + +DOCS=( README ) + +FORTRAN_STANDARD=90 + +src_unpack() { + unpack ${P}.tar.gz + if use doc; then + cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ || die + fi +} + +src_prepare() { + use longplot && epatch "${FILESDIR}"/4.0-longplot.patch +} + +src_configure() { + local myeconfargs=( + $(use_enable libxc) + --with-linalg-flavor=atlas + --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)" + --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) --cflags libxc)" + --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)" + FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" + CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" + ) + autotools-utils_src_configure +} + +src_compile() { + autotools-utils_src_compile -j1 +} + +src_test() { + use test && autotools-utils_src_test +} + +src_install() { + autotools-utils_src_install + + use doc && dodoc doc/atompaw.pdf doc/atompawEqns.pdf +}