From mboxrd@z Thu Jan 1 00:00:00 1970 Return-Path: Received: from mp0 ([2001:41d0:2:4a6f::]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits)) by ms11 with LMTPS id CM5CNxQ3D2BMfwAA0tVLHw (envelope-from ) for ; Mon, 25 Jan 2021 21:24:36 +0000 Received: from aspmx1.migadu.com ([2001:41d0:2:4a6f::]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits)) by mp0 with LMTPS id wNEIMxQ3D2BMQQAA1q6Kng (envelope-from ) for ; Mon, 25 Jan 2021 21:24:36 +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 A9ECF940418 for ; Mon, 25 Jan 2021 21:24:36 +0000 (UTC) Received: from localhost ([::1]:50352 helo=lists1p.gnu.org) by lists.gnu.org with esmtp (Exim 4.90_1) (envelope-from ) id 1l49Lf-0002UJ-NL for larch@yhetil.org; Mon, 25 Jan 2021 16:24:35 -0500 Received: from eggs.gnu.org ([2001:470:142:3::10]:45220) by lists.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_256_GCM_SHA384:256) (Exim 4.90_1) (envelope-from ) id 1l49L9-00026E-D7 for guix-patches@gnu.org; Mon, 25 Jan 2021 16:24:03 -0500 Received: from debbugs.gnu.org ([209.51.188.43]:56877) by eggs.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_128_GCM_SHA256:128) (Exim 4.90_1) (envelope-from ) id 1l49L9-0001Un-4x for guix-patches@gnu.org; Mon, 25 Jan 2021 16:24:03 -0500 Received: from Debian-debbugs by debbugs.gnu.org with local (Exim 4.84_2) (envelope-from ) id 1l49L9-0001UV-1n for guix-patches@gnu.org; Mon, 25 Jan 2021 16:24:03 -0500 X-Loop: help-debbugs@gnu.org Subject: [bug#46107] [PATCH 4/6] gnu: Add libmsym. Resent-From: Kei Kebreau Original-Sender: "Debbugs-submit" Resent-CC: guix-patches@gnu.org Resent-Date: Mon, 25 Jan 2021 21:24:03 +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=B46107.16116098015634 (code B ref 46107); Mon, 25 Jan 2021 21:24:03 +0000 Received: (at 46107) by debbugs.gnu.org; 25 Jan 2021 21:23:21 +0000 Received: from localhost ([127.0.0.1]:40178 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1l49KS-0001Sn-Lk for submit@debbugs.gnu.org; Mon, 25 Jan 2021 16:23:20 -0500 Received: from mout01.posteo.de ([185.67.36.65]:33869) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1l49KO-0001Rw-1k for 46107@debbugs.gnu.org; Mon, 25 Jan 2021 16:23:16 -0500 Received: from submission (posteo.de [89.146.220.130]) by mout01.posteo.de (Postfix) with ESMTPS id 6640216005C for <46107@debbugs.gnu.org>; Mon, 25 Jan 2021 22:23:10 +0100 (CET) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/simple; d=posteo.net; s=2017; t=1611609790; bh=cmCeqJ4A0++XTHEkZi9sQtrw4g/ynTvaNNX7wV7qZp8=; h=From:To:Cc:Subject:Date:From; b=o3JGu8zZqsjHpowNUMduknN7IM6DktSONsTIvQSPDs17+fV2zUBms6cNQr3CKG8vg aEVsaXRzdJg+IBrLT8qNy7IyBw1DmM52tNOwxOqo0lEuxl1x7mxxe2HNdn/2PMWAkC f6mXac8R/SpaUFyWN7bZSm9uwfiSBBynytaPrkW0i4zgTkG2uVptRAmrSpsCOABRS5 AexVnx/UOtIw2KCgsJNSWWHr9B1cOfpvWYWSbNkmMPOwrgpoi8PdbIVgp0j0A2GKG+ LTvkX8QAHTcftpb8CSd36Twj9Jkty8q8xtvO4TvDZxWMcOZeKcGgknBV2bQTv4jRVS saqbnaLSVPPuQ== Received: from customer (localhost [127.0.0.1]) by submission (posteo.de) with ESMTPSA id 4DPjWx1Lr5z6tm6; Mon, 25 Jan 2021 22:23:09 +0100 (CET) From: Kei Kebreau Date: Mon, 25 Jan 2021 16:22:46 -0500 Message-Id: <20210125212248.4749-3-kkebreau@posteo.net> X-Mailer: git-send-email 2.29.2 In-Reply-To: <20210125212248.4749-1-kkebreau@posteo.net> References: <20210125212248.4749-1-kkebreau@posteo.net> 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=o3JGu8zZ; 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: A9ECF940418 X-Spam-Score: 3.75 X-Migadu-Scanner: scn0.migadu.com X-TUID: oWprc67eH4ju * gnu/packages/chemistry.scm (libmsym): New variable. --- gnu/packages/chemistry.scm | 24 ++++++++++++++++++++++++ 1 file changed, 24 insertions(+) diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index 2b54df564e..73aed08d43 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -242,6 +242,30 @@ analogy is that InChI is the bar-code for chemistry and chemical structures.") "file://LICENCE" "See LICENCE in the distribution.")))) +(define-public libmsym + (package + (name "libmsym") + (version "0.2.3") + (source + (origin + (method git-fetch) + (uri (git-reference + (url "https://github.com/mcodev31/libmsym") + (commit (string-append "v" version)))) + (sha256 + (base32 + "0a9j28irdsr461qpzlc9z1yjyb9kp64fh5zw7ylspc9zn3189qwk")) + (file-name (git-file-name name version)))) + (build-system cmake-build-system) + (arguments + '(#:configure-flags '("-DBUILD_SHARED_LIBS=ON") + #:tests? #f)) ; no check target + (home-page "https://github.com/mcodev31/libmsym") + (synopsis "C library dealing with point group symmetry in molecules") + (description "libmsym is a C library dealing with point group symmetry in +molecules.") + (license license:expat))) + (define-public mmtf-cpp (package (name "mmtf-cpp") -- 2.29.2