From mboxrd@z Thu Jan 1 00:00:00 1970 Return-Path: Received: from mp1 ([2001:41d0:2:4a6f::]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits)) by ms11 with LMTPS id WNQwIAo3D2ANTgAA0tVLHw (envelope-from ) for ; Mon, 25 Jan 2021 21:24:26 +0000 Received: from aspmx1.migadu.com ([2001:41d0:2:4a6f::]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits)) by mp1 with LMTPS id 4NchHAo3D2CwcgAAbx9fmQ (envelope-from ) for ; Mon, 25 Jan 2021 21:24:26 +0000 Received: from lists.gnu.org (lists.gnu.org [209.51.188.17]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (No client certificate requested) by aspmx1.migadu.com (Postfix) with ESMTPS id 2DC1B940480 for ; Mon, 25 Jan 2021 21:24:26 +0000 (UTC) Received: from localhost ([::1]:49572 helo=lists1p.gnu.org) by lists.gnu.org with esmtp (Exim 4.90_1) (envelope-from ) id 1l49LV-00026W-1c for larch@yhetil.org; Mon, 25 Jan 2021 16:24:25 -0500 Received: from eggs.gnu.org ([2001:470:142:3::10]:45214) by lists.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_256_GCM_SHA384:256) (Exim 4.90_1) (envelope-from ) id 1l49L8-00025z-JF for guix-patches@gnu.org; Mon, 25 Jan 2021 16:24:02 -0500 Received: from debbugs.gnu.org ([209.51.188.43]:56875) by eggs.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_128_GCM_SHA256:128) (Exim 4.90_1) (envelope-from ) id 1l49L8-0001UY-Bo for guix-patches@gnu.org; Mon, 25 Jan 2021 16:24:02 -0500 Received: from Debian-debbugs by debbugs.gnu.org with local (Exim 4.84_2) (envelope-from ) id 1l49L8-0001UG-8Q for guix-patches@gnu.org; Mon, 25 Jan 2021 16:24:02 -0500 X-Loop: help-debbugs@gnu.org Subject: [bug#46107] [PATCH 2/6] gnu: Add mmtf-cpp. References: <20210125212042.4358-1-kkebreau@posteo.net> In-Reply-To: <20210125212042.4358-1-kkebreau@posteo.net> Resent-From: Kei Kebreau Original-Sender: "Debbugs-submit" Resent-CC: guix-patches@gnu.org Resent-Date: Mon, 25 Jan 2021 21:24:02 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: followup 46107 X-GNU-PR-Package: guix-patches X-GNU-PR-Keywords: patch To: 46107@debbugs.gnu.org Received: via spool by 46107-submit@debbugs.gnu.org id=B46107.16116097965600 (code B ref 46107); Mon, 25 Jan 2021 21:24:02 +0000 Received: (at 46107) by debbugs.gnu.org; 25 Jan 2021 21:23:16 +0000 Received: from localhost ([127.0.0.1]:40171 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1l49KO-0001SF-07 for submit@debbugs.gnu.org; Mon, 25 Jan 2021 16:23:16 -0500 Received: from mout01.posteo.de ([185.67.36.65]:39117) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1l49KL-0001Rq-7a for 46107@debbugs.gnu.org; Mon, 25 Jan 2021 16:23:14 -0500 Received: from submission (posteo.de [89.146.220.130]) by mout01.posteo.de (Postfix) with ESMTPS id D996C160065 for <46107@debbugs.gnu.org>; Mon, 25 Jan 2021 22:23:06 +0100 (CET) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/simple; d=posteo.net; s=2017; t=1611609786; bh=WqriT4z8BSO7KY0QnCMROIW23uZMxOotJZQ/p5JZIYM=; h=From:To:Cc:Subject:Date:From; b=FNa1Yhj4DRPieFFY6jE55S4iHvovwQDLPObALclm1u2fIowbY1QHyV2IhS/wMuCt6 Q53RwAFRkY2bk6KbMI8uOy4gWR1aHrca1/dWtk+GSMqTc69/kjQoexQMViF+/MWccn +s3UQKK7fikdVq/79nfYbX3GoiAheV3wHyOdFZGVeSa1lnx7TKCh9o4jD5jnzLwoOZ rKYtoi5+wK3Sndje40cFAzvlO75VnOwoa94mRqIhepvFNIIarL37zuRGT4/4eYepLr sKH+qgnbNADfmTTlY4zrOsRJ2b0TIwTjIbD58sUGjoFKm82AV2hDVUgqBdbOgXP8by 8q7k6V8VMhVmQ== Received: from customer (localhost [127.0.0.1]) by submission (posteo.de) with ESMTPSA id 4DPjWs0b7Gz6tm6; Mon, 25 Jan 2021 22:23:04 +0100 (CET) From: Kei Kebreau Date: Mon, 25 Jan 2021 16:22:44 -0500 Message-Id: <20210125212248.4749-1-kkebreau@posteo.net> X-Mailer: git-send-email 2.29.2 MIME-Version: 1.0 Content-Transfer-Encoding: 8bit X-BeenThere: debbugs-submit@debbugs.gnu.org X-Mailman-Version: 2.1.18 Precedence: list X-BeenThere: guix-patches@gnu.org List-Id: List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , Cc: Kei Kebreau Errors-To: guix-patches-bounces+larch=yhetil.org@gnu.org Sender: "Guix-patches" X-Migadu-Flow: FLOW_IN X-Migadu-Spam-Score: 3.75 Authentication-Results: aspmx1.migadu.com; dkim=fail ("headers rsa verify failed") header.d=posteo.net header.s=2017 header.b=FNa1Yhj4; dmarc=fail reason="SPF not aligned (strict)" header.from=posteo.net (policy=none); spf=pass (aspmx1.migadu.com: domain of guix-patches-bounces@gnu.org designates 209.51.188.17 as permitted sender) smtp.mailfrom=guix-patches-bounces@gnu.org X-Migadu-Queue-Id: 2DC1B940480 X-Spam-Score: 3.75 X-Migadu-Scanner: scn1.migadu.com X-TUID: tmoqpKJtrOKC * gnu/packages/chemistry.scm (mmtf-cpp): New variable. --- gnu/packages/chemistry.scm | 25 +++++++++++++++++++++++++ 1 file changed, 25 insertions(+) diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index 7a9b3069fa..4ac7a90c87 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -242,6 +242,31 @@ analogy is that InChI is the bar-code for chemistry and chemical structures.") "file://LICENCE" "See LICENCE in the distribution.")))) +(define-public mmtf-cpp + (package + (name "mmtf-cpp") + (version "1.0.0") + (source + (origin + (method git-fetch) + (uri (git-reference + (url "https://github.com/rcsb/mmtf-cpp") + (commit (string-append "v" version)))) + (file-name (git-file-name name version)) + (sha256 + (base32 + "17ylramda69plf5w0v5hxbl4ggkdi5s15z55cv0pljl12yvyva8l")))) + (build-system cmake-build-system) + ;; Tests require the soon-to-be-deprecated version 1 of the catch-framework. + (arguments + '(#:tests? #f)) + (home-page "https://mmtf.rcsb.org/") + (synopsis "C++ API for the Macromolecular Transmission Format") + (description "This package is a library for the +@acronym{MMTF,macromolecular transmission format}, a binary encoding of +biological structures.") + (license license:expat))) + (define with-numpy-1.8 (package-input-rewriting `((,python2-numpy . ,python2-numpy-1.8)))) -- 2.29.2