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 51BC7158009 for ; Mon, 19 Jun 2023 14:00:29 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id 4B02EE083B; Mon, 19 Jun 2023 14:00:28 +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) server-digest SHA256) (No client certificate requested) by pigeon.gentoo.org (Postfix) with ESMTPS id 33016E083B for ; Mon, 19 Jun 2023 14:00:28 +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) server-digest SHA256) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id 62450335CB4 for ; Mon, 19 Jun 2023 14:00:27 +0000 (UTC) Received: from localhost.localdomain (localhost [IPv6:::1]) by oystercatcher.gentoo.org (Postfix) with ESMTP id C4185A7A for ; Mon, 19 Jun 2023 14:00:25 +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: <1687183219.ea0092118654e1e058a6d2b7f35687885e176ec8.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-0.8.4.ebuild sci-chemistry/GromacsWrapper/Manifest X-VCS-Directories: sci-chemistry/GromacsWrapper/ X-VCS-Committer: pacho X-VCS-Committer-Name: Pacho Ramos X-VCS-Revision: ea0092118654e1e058a6d2b7f35687885e176ec8 X-VCS-Branch: master Date: Mon, 19 Jun 2023 14:00:25 +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: c35ae0ba-7b58-4b2c-8027-a4a4c0be8bc9 X-Archives-Hash: 83a90b325c5bab15caa485ba4eac12b1 commit: ea0092118654e1e058a6d2b7f35687885e176ec8 Author: Pacho Ramos gentoo org> AuthorDate: Mon Jun 19 13:48:34 2023 +0000 Commit: Pacho Ramos gentoo org> CommitDate: Mon Jun 19 14:00:19 2023 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=ea009211 sci-chemistry/GromacsWrapper: add 0.8.4 Signed-off-by: Pacho Ramos gentoo.org> .../GromacsWrapper/GromacsWrapper-0.8.4.ebuild | 40 ++++++++++++++++++++++ sci-chemistry/GromacsWrapper/Manifest | 1 + 2 files changed, 41 insertions(+) diff --git a/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.4.ebuild b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.4.ebuild new file mode 100644 index 000000000000..e5c508fd6ca1 --- /dev/null +++ b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.4.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 38f5f6269fbc..413b6307fb54 100644 --- a/sci-chemistry/GromacsWrapper/Manifest +++ b/sci-chemistry/GromacsWrapper/Manifest @@ -1 +1,2 @@ DIST GromacsWrapper-0.8.2.tar.gz 1954926 BLAKE2B c05995667f925a7519e07e59519e985693effa2fd511d228d236bff978d05430d422003e1360f9fda26564e40bb69183ae8e9b7334e0427c2b177f019df38a6a SHA512 b8a3e7da43eaabaf0fe12f4c06ff80f018847f9386c16eb66c96b3840c66b79d02ee47e675c08ed81df0ef495261c3b557d64c62caac0e484f661ef6b3a5be73 +DIST GromacsWrapper-0.8.4.tar.gz 1955167 BLAKE2B 59f0301263eefaa4d7c139b34a48172c218a76f0f9488477d6203d9cd732098468dae5a73ff46aa74eb2b4433268c77bc265e506129e4c14a357042453d5f97f SHA512 822edc33c77ca4dbfbc1e4172686744345ed3c0d2305f4b19abab15576a1433bbb3b23b96f637398ad4f72cd5414d96ee531ab4a329d3acb462d90b95437a6a5