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 AA816158092 for ; Sun, 19 Sep 2021 15:20:52 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id EC655E0966; Sun, 19 Sep 2021 15:20:51 +0000 (UTC) Received: from smtp.gentoo.org (mail.gentoo.org [IPv6:2001:470:ea4a:1:5054:ff:fec7:86e4]) (using TLSv1.2 with cipher ECDHE-RSA-CHACHA20-POLY1305 (256/256 bits)) (No client certificate requested) by pigeon.gentoo.org (Postfix) with ESMTPS id BEEFDE0965 for ; Sun, 19 Sep 2021 15:20:51 +0000 (UTC) Received: from oystercatcher.gentoo.org (unknown [IPv6:2a01:4f8:202:4333:225:90ff:fed9:fc84]) (using TLSv1.2 with cipher ECDHE-RSA-CHACHA20-POLY1305 (256/256 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id EB034343385 for ; Sun, 19 Sep 2021 15:20:50 +0000 (UTC) Received: from localhost.localdomain (localhost [IPv6:::1]) by oystercatcher.gentoo.org (Postfix) with ESMTP id 9432AED for ; Sun, 19 Sep 2021 15:20:49 +0000 (UTC) From: "Christoph Junghans" To: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: 8bit Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Christoph Junghans" Message-ID: <1632064843.f4e8fd6d1119e8731d7638559720c983f2397e33.junghans@gentoo> Subject: [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca-xtp/ X-VCS-Repository: repo/gentoo X-VCS-Files: sci-chemistry/votca-xtp/Manifest sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild X-VCS-Directories: sci-chemistry/votca-xtp/ X-VCS-Committer: junghans X-VCS-Committer-Name: Christoph Junghans X-VCS-Revision: f4e8fd6d1119e8731d7638559720c983f2397e33 X-VCS-Branch: master Date: Sun, 19 Sep 2021 15:20:49 +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-Auto-Response-Suppress: DR, RN, NRN, OOF, AutoReply X-Archives-Salt: 78a7d308-e9a1-453a-94eb-00b0ead0efce X-Archives-Hash: 9b9b78afc7fdcced2f7b208d276e5b7c commit: f4e8fd6d1119e8731d7638559720c983f2397e33 Author: Christoph Junghans gentoo org> AuthorDate: Sun Sep 19 15:20:27 2021 +0000 Commit: Christoph Junghans gentoo org> CommitDate: Sun Sep 19 15:20:43 2021 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=f4e8fd6d sci-chemistry/votca-xtp: version bump Package-Manager: Portage-3.0.20, Repoman-3.0.3 Signed-off-by: Christoph Junghans gentoo.org> sci-chemistry/votca-xtp/Manifest | 1 + sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild | 51 +++++++++++++++++++++++++ 2 files changed, 52 insertions(+) diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest index 0d13f9eb984..b3ede576936 100644 --- a/sci-chemistry/votca-xtp/Manifest +++ b/sci-chemistry/votca-xtp/Manifest @@ -1,3 +1,4 @@ DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B 9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220 SHA512 f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af DIST votca-xtp-2021.1.tar.gz 2192322 BLAKE2B 8b15f17e1287249ff383fc2b66b5d37c7f78bac071ea6cc2f902811ab56cded26db764cd204371d5bebca55dfce73d840d680a4c62bc458a6cf55955d783a666 SHA512 ad0190f3e9235aec9c6db4ea16de7cd0daad96ff9836821672b46dcf098ed3bc1cdbb98ccf4b495dab172d1c1a971580eef8dbf341a2067964f684871ca6277f +DIST votca-xtp-2021.2.tar.gz 2192074 BLAKE2B 75b835501d70d1f90010bffce7cdaf3718629c8ec07d0cc10b11e6422c64f37ae32ba30c5b3006cd04863bba1986de1214fe7dbe7a6a12d76c21b4fe3e3b075b SHA512 d79e2e8973ad35a47ac0b1872cc6906aaec3881f4c8dc5ef4d9001b661212592bc309b1a82982db9c4d2827ba7749cd0bbc3134e29798c0bfaf794dee04a7cb6 DIST votca-xtp-2021.tar.gz 2192166 BLAKE2B bcacdfe92b8c9fbbe2fe949d7096c09928ef7ece3cc4e40adbf58f2894036588762f9905bce1a1595bea99d1dfb8bcd99f395bed2ce7b94eeaf51b1c33719558 SHA512 1444fd0a64a684fd2b1327a9c3af067ea812190fa95cab5f3bfcc7aae932cc7469d07fc219871ca594496fbfe74e277d3b6ccfbd7d5c24c162623515ee2fef0b diff --git a/sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild b/sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild new file mode 100644 index 00000000000..4d4db8635e4 --- /dev/null +++ b/sci-chemistry/votca-xtp/votca-xtp-2021.2.ebuild @@ -0,0 +1,51 @@ +# Copyright 1999-2021 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=7 + +inherit bash-completion-r1 cmake + +if [[ ${PV} == *9999 ]]; then + inherit git-r3 + EGIT_REPO_URI="https://github.com/${PN/-//}.git" +else + SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" + KEYWORDS="~amd64 ~x86 ~amd64-linux" + S="${WORKDIR}/${P#votca-}" +fi + +DESCRIPTION="Votca excitation and charge properties module" +HOMEPAGE="https://www.votca.org/" + +LICENSE="Apache-2.0" +SLOT="0" +IUSE="test" +RESTRICT="!test? ( test )" + +RDEPEND=" + >=dev-cpp/eigen-3.3 + ~sci-chemistry/votca-csg-${PV} + sci-libs/hdf5[cxx] + sci-libs/libxc + sci-libs/libint:2 + ~sci-libs/votca-tools-${PV} +" +DEPEND="${RDEPEND}" +BDEPEND="virtual/pkgconfig" + +DOCS=( README.rst NOTICE.rst CHANGELOG.rst ) + +src_configure() { + local mycmakeargs=( + -DENABLE_TESTING=$(usex test) + ) + cmake_src_configure +} + +pkg_postinst() { + einfo + einfo "Please read and cite:" + einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)" + einfo "https://doi.org/10.1021/acs.jctc.8b00617" + einfo +}