From patchwork Fri Oct 7 15:21:46 2022 Content-Type: text/plain; charset="utf-8" MIME-Version: 1.0 Content-Transfer-Encoding: 7bit X-Patchwork-Submitter: David Elsing X-Patchwork-Id: 43206 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 45FCA27BBEA; Fri, 7 Oct 2022 17:39:16 +0100 (BST) X-Spam-Checker-Version: SpamAssassin 3.4.6 (2021-04-09) on mira.cbaines.net X-Spam-Level: X-Spam-Status: No, score=-2.7 required=5.0 tests=BAYES_00,DKIM_INVALID, DKIM_SIGNED,MAILING_LIST_MULTI,SPF_HELO_PASS,URIBL_BLOCKED autolearn=unavailable autolearn_force=no version=3.4.6 Received: from lists.gnu.org (lists.gnu.org [209.51.188.17]) by mira.cbaines.net (Postfix) with ESMTPS id E762F27BBE9 for ; Fri, 7 Oct 2022 17:39:15 +0100 (BST) Received: from localhost ([::1]:54464 helo=lists1p.gnu.org) by lists.gnu.org with esmtp (Exim 4.90_1) (envelope-from ) id 1ogqNX-0004Kd-3e for patchwork@mira.cbaines.net; Fri, 07 Oct 2022 12:39:15 -0400 Received: from eggs.gnu.org ([2001:470:142:3::10]:57154) by lists.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_256_GCM_SHA384:256) (Exim 4.90_1) (envelope-from ) id 1ogpBp-0002ao-Nv for guix-patches@gnu.org; Fri, 07 Oct 2022 11:23:05 -0400 Received: from debbugs.gnu.org ([209.51.188.43]:38115) by eggs.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_128_GCM_SHA256:128) (Exim 4.90_1) (envelope-from ) id 1ogpBp-0005qc-Eb for guix-patches@gnu.org; Fri, 07 Oct 2022 11:23:05 -0400 Received: from Debian-debbugs by debbugs.gnu.org with local (Exim 4.84_2) (envelope-from ) id 1ogpBp-0005op-A4 for guix-patches@gnu.org; Fri, 07 Oct 2022 11:23:05 -0400 X-Loop: help-debbugs@gnu.org Subject: [bug#58261] [PATCH v2 09/13] gnu: Add coordgenlibs. Resent-From: David Elsing Original-Sender: "Debbugs-submit" Resent-CC: guix-patches@gnu.org Resent-Date: Fri, 07 Oct 2022 15:23:05 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: followup 58261 X-GNU-PR-Package: guix-patches X-GNU-PR-Keywords: patch To: 58261@debbugs.gnu.org Cc: David Elsing Received: via spool by 58261-submit@debbugs.gnu.org id=B58261.166515615622215 (code B ref 58261); Fri, 07 Oct 2022 15:23:05 +0000 Received: (at 58261) by debbugs.gnu.org; 7 Oct 2022 15:22:36 +0000 Received: from localhost ([127.0.0.1]:37174 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1ogpBM-0005m9-Ij for submit@debbugs.gnu.org; Fri, 07 Oct 2022 11:22:36 -0400 Received: from mout02.posteo.de ([185.67.36.66]:41527) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1ogpAu-0005jc-QH for 58261@debbugs.gnu.org; Fri, 07 Oct 2022 11:22:09 -0400 Received: from submission (posteo.de [185.67.36.169]) by mout02.posteo.de (Postfix) with ESMTPS id 42B2A240101 for <58261@debbugs.gnu.org>; Fri, 7 Oct 2022 17:22:03 +0200 (CEST) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/simple; d=posteo.net; s=2017; t=1665156123; bh=pB071cOl1ykWfjP9O9texf802w2wv0JYtFgP5biOukg=; h=From:To:Cc:Subject:Date:From; b=qqaBUmnc1EhCLR/9WVquu71x6eIn6Tk8hI2u7KsmSYUwushF2rhCcZw0Lz+2oIVaD QE5uWrL6Kqj6EX4EsKH8Kk4W4wIPks5wSnxUx06GYppCYJnw20AqLAnlxscmWnCxRn IG6Y0k3HcsXETEkVMdwvT5t3Wz1HRw6blBzcAJSU61Vgwpv/fmvHj8cbSvlJGCe9Ob V9X0N/BuSq0lsle+QXI/1k/4SpFkGbZewUTC7/HP5pW5OYzcJO9/B0DAFpuJLqA/c0 I+I6IemM/ZrjI3f4zLgxCU+czOZXl8cnAt8JZDaxZhZy2eZv3Qse0UUNNGBbqbNTWF EdTSq26x8Gj5Q== Received: from customer (localhost [127.0.0.1]) by submission (posteo.de) with ESMTPSA id 4MkX965zlSz6tmq; Fri, 7 Oct 2022 17:22:02 +0200 (CEST) From: David Elsing Date: Fri, 7 Oct 2022 15:21:46 +0000 Message-Id: <20221007152148.32591-10-david.elsing@posteo.net> In-Reply-To: References: 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: , Errors-To: guix-patches-bounces+patchwork=mira.cbaines.net@gnu.org Sender: "Guix-patches" X-getmail-retrieved-from-mailbox: Patches * gnu/packages/chemistry.scm (coordgenlibs): New variable. --- gnu/packages/chemistry.scm | 27 +++++++++++++++++++++++++++ 1 file changed, 27 insertions(+) diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index 6eb1e4a694..1510cbab41 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -791,3 +791,30 @@ (define-public maeparser (synopsis "Maestro file parser") (description "maeparser is a parser for Schrodinger Maestro files.") (license license:expat))) + +(define-public coordgenlibs + (package + (name "coordgenlibs") + (version "3.0.1") + (source (origin + (method git-fetch) + (uri (git-reference + (url "https://github.com/schrodinger/coordgenlibs/") + (commit (string-append "v" version)))) + (file-name (git-file-name name version)) + (sha256 + (base32 + "0d09x3v38i9y184bml020bq7xizdrdwng38qmdxlplzfhqkjdidv")))) + (build-system cmake-build-system) + (native-inputs (list boost)) + (inputs (list maeparser)) + (arguments + (list + #:configure-flags + #~(list "-DCOORDGEN_RIGOROUS_BUILD=OFF" + "-DCOORDGEN_USE_MAEPARSER=ON"))) + (home-page "https://github.com/schrodinger/coordgenlibs/") + (synopsis "2D coordinate generation") + (description "@code{coordgenlibs} contains algorithms to generate 2D +coordinates. It has an emphasis on quality rather than speed.") + (license license:bsd-3)))