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 TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (2048 bits)) (No client certificate requested) by finch.gentoo.org (Postfix) with ESMTPS id 5E535158089 for ; Sun, 17 Sep 2023 16:29:43 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id 55F282BC02E; Sun, 17 Sep 2023 16:29:42 +0000 (UTC) Received: from smtp.gentoo.org (smtp.gentoo.org [IPv6:2001:470:ea4a:1:5054:ff:fec7:86e4]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits)) (No client certificate requested) by pigeon.gentoo.org (Postfix) with ESMTPS id 413A72BC02E for ; Sun, 17 Sep 2023 16:29:42 +0000 (UTC) Received: from oystercatcher.gentoo.org (oystercatcher.gentoo.org [148.251.78.52]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id 8438A335CE9 for ; Sun, 17 Sep 2023 16:29:41 +0000 (UTC) Received: from localhost.localdomain (localhost [IPv6:::1]) by oystercatcher.gentoo.org (Postfix) with ESMTP id 34AE811D0 for ; Sun, 17 Sep 2023 16:29:40 +0000 (UTC) From: "Pacho Ramos" To: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: 8bit Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Pacho Ramos" Message-ID: <1694968165.dde2c49ecaeccc7ce8fd503f2aa14b2e9247ea5c.pacho@gentoo> Subject: [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/GromacsWrapper/ X-VCS-Repository: repo/gentoo X-VCS-Files: sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.5.ebuild sci-chemistry/GromacsWrapper/Manifest X-VCS-Directories: sci-chemistry/GromacsWrapper/ X-VCS-Committer: pacho X-VCS-Committer-Name: Pacho Ramos X-VCS-Revision: dde2c49ecaeccc7ce8fd503f2aa14b2e9247ea5c X-VCS-Branch: master Date: Sun, 17 Sep 2023 16:29:40 +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: 8cf09b01-7e8b-4ade-9477-5f09c932405d X-Archives-Hash: 30515791ca3311bd7eab6939018bcbfc commit: dde2c49ecaeccc7ce8fd503f2aa14b2e9247ea5c Author: Pacho Ramos gentoo org> AuthorDate: Sun Sep 17 16:09:55 2023 +0000 Commit: Pacho Ramos gentoo org> CommitDate: Sun Sep 17 16:29:25 2023 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=dde2c49e sci-chemistry/GromacsWrapper: add 0.8.5 Signed-off-by: Pacho Ramos gentoo.org> .../GromacsWrapper/GromacsWrapper-0.8.5.ebuild | 40 ++++++++++++++++++++++ sci-chemistry/GromacsWrapper/Manifest | 1 + 2 files changed, 41 insertions(+) diff --git a/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.5.ebuild b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.5.ebuild new file mode 100644 index 000000000000..e5c508fd6ca1 --- /dev/null +++ b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.5.ebuild @@ -0,0 +1,40 @@ +# Copyright 1999-2023 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +PYTHON_COMPAT=( python3_{9..11} ) +DISTUTILS_USE_PEP517=setuptools + +if [[ ${PV} = *9999* ]]; then + scm_eclass=git-r3 + EGIT_REPO_URI="https://github.com/Becksteinlab/${PN}.git" + EGIT_BRANCH="develop" + SRC_URI="" +else + scm_eclass=vcs-snapshot + SRC_URI="https://github.com/Becksteinlab/${PN}/archive/release-${PV}.tar.gz -> ${P}.tar.gz" + KEYWORDS="~amd64 ~x86" +fi + +inherit distutils-r1 ${scm_eclass} + +DESCRIPTION="Python framework for Gromacs" +HOMEPAGE="https://gromacswrapper.readthedocs.io" + +LICENSE="GPL-3 LGPL-3" +SLOT="0" +IUSE="" + +RDEPEND=" + dev-python/six[${PYTHON_USEDEP}] + dev-python/numpy[${PYTHON_USEDEP}] + dev-python/matplotlib[${PYTHON_USEDEP}] + sci-libs/numkit[${PYTHON_USEDEP}] +" +BDEPEND=" + ${RDEPEND} + test? ( >=dev-python/pandas-0.17[${PYTHON_USEDEP}] ) +" + +distutils_enable_tests pytest diff --git a/sci-chemistry/GromacsWrapper/Manifest b/sci-chemistry/GromacsWrapper/Manifest index 413b6307fb54..d6ee7a0cfe65 100644 --- a/sci-chemistry/GromacsWrapper/Manifest +++ b/sci-chemistry/GromacsWrapper/Manifest @@ -1,2 +1,3 @@ DIST GromacsWrapper-0.8.2.tar.gz 1954926 BLAKE2B c05995667f925a7519e07e59519e985693effa2fd511d228d236bff978d05430d422003e1360f9fda26564e40bb69183ae8e9b7334e0427c2b177f019df38a6a SHA512 b8a3e7da43eaabaf0fe12f4c06ff80f018847f9386c16eb66c96b3840c66b79d02ee47e675c08ed81df0ef495261c3b557d64c62caac0e484f661ef6b3a5be73 DIST GromacsWrapper-0.8.4.tar.gz 1955167 BLAKE2B 59f0301263eefaa4d7c139b34a48172c218a76f0f9488477d6203d9cd732098468dae5a73ff46aa74eb2b4433268c77bc265e506129e4c14a357042453d5f97f SHA512 822edc33c77ca4dbfbc1e4172686744345ed3c0d2305f4b19abab15576a1433bbb3b23b96f637398ad4f72cd5414d96ee531ab4a329d3acb462d90b95437a6a5 +DIST GromacsWrapper-0.8.5.tar.gz 1958570 BLAKE2B b8f79721a7566117206818144fc7087c4634d7fb71c77abef63dd9565a0655ce6b4a259ea5bf9cb3b5bc13df8f428f58e514f7871192d27a6d463e758e27f4b3 SHA512 8800afdbe92edad35df58e825546797ede1738b9029df0fb57a96e377d7be94f3d21fe1df9d5cb4490d12b984972d63d87e673d3d33af60a7dc8d0453574a5c6