From patchwork Mon Jan 25 21:22:46 2021 Content-Type: text/plain; charset="utf-8" MIME-Version: 1.0 Content-Transfer-Encoding: 7bit X-Patchwork-Submitter: Kei Kebreau X-Patchwork-Id: 26645 Return-Path: X-Original-To: patchwork@mira.cbaines.net Delivered-To: patchwork@mira.cbaines.net Received: by mira.cbaines.net (Postfix, from userid 113) id 27A2227BC1B; Mon, 25 Jan 2021 21:24:36 +0000 (GMT) X-Spam-Checker-Version: SpamAssassin 3.4.2 (2018-09-13) on mira.cbaines.net X-Spam-Level: X-Spam-Status: No, score=-2.8 required=5.0 tests=BAYES_00,DKIM_SIGNED, MAILING_LIST_MULTI,RCVD_IN_MSPIKE_H4,RCVD_IN_MSPIKE_WL,SPF_HELO_PASS, T_DKIM_INVALID,URIBL_BLOCKED autolearn=unavailable autolearn_force=no version=3.4.2 Received: from lists.gnu.org (lists.gnu.org [209.51.188.17]) by mira.cbaines.net (Postfix) with ESMTPS id ADD7327BC1A for ; Mon, 25 Jan 2021 21:24:35 +0000 (GMT) Received: from localhost ([::1]:50352 helo=lists1p.gnu.org) by lists.gnu.org with esmtp (Exim 4.90_1) (envelope-from ) id 1l49Le-0002UJ-UF for patchwork@mira.cbaines.net; Mon, 25 Jan 2021 16:24:34 -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 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+patchwork=mira.cbaines.net@gnu.org Sender: "Guix-patches" X-getmail-retrieved-from-mailbox: Patches * 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")