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Tue, 13 Feb 2024 13:20:02 +0100 (CET) Received: from localhost ([::1] helo=lists1p.gnu.org) by lists.gnu.org with esmtp (Exim 4.90_1) (envelope-from ) id 1rZrlX-0003bI-3I; Tue, 13 Feb 2024 07:19:59 -0500 Received: from eggs.gnu.org ([2001:470:142:3::10]) by lists.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_256_GCM_SHA384:256) (Exim 4.90_1) (envelope-from ) id 1rZrlO-0003Wc-2h for guix-patches@gnu.org; Tue, 13 Feb 2024 07:19:54 -0500 Received: from debbugs.gnu.org ([2001:470:142:5::43]) by eggs.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_128_GCM_SHA256:128) (Exim 4.90_1) (envelope-from ) id 1rZrlI-0005Ok-FF for guix-patches@gnu.org; Tue, 13 Feb 2024 07:19:49 -0500 Received: from Debian-debbugs by debbugs.gnu.org with local (Exim 4.84_2) (envelope-from ) id 1rZrlZ-00017V-RY for guix-patches@gnu.org; Tue, 13 Feb 2024 07:20:01 -0500 X-Loop: help-debbugs@gnu.org Subject: [bug#68790] [PATCH 0/9] Update rdkit and its dependencies Resent-From: Christopher Baines Original-Sender: "Debbugs-submit" Resent-CC: guix-patches@gnu.org Resent-Date: Tue, 13 Feb 2024 12:20:01 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: followup 68790 X-GNU-PR-Package: guix-patches X-GNU-PR-Keywords: patch To: David Elsing Cc: 68790-done@debbugs.gnu.org, 68790@debbugs.gnu.org X-Debbugs-Original-Cc: 68790-done@debbugs.gnu.org, guix-patches@gnu.org Received: via spool by submit@debbugs.gnu.org id=B.17078267524220 (code B ref -1); 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Tue, 13 Feb 2024 12:18:47 +0000 (GMT) Received: from felis (localhost.lan [127.0.0.1]) by localhost (OpenSMTPD) with ESMTP id a01c52c7; Tue, 13 Feb 2024 12:18:47 +0000 (UTC) References: <20240128225919.795-2-david.elsing@posteo.net> User-agent: mu4e 1.10.7; emacs 29.1 From: Christopher Baines Date: Tue, 13 Feb 2024 12:18:15 +0000 In-reply-to: <20240128225919.795-2-david.elsing@posteo.net> Message-ID: <87cyt0blqw.fsf@cbaines.net> MIME-Version: 1.0 Content-Type: multipart/signed; boundary="=-=-="; micalg=pgp-sha512; protocol="application/pgp-signature" Received-SPF: pass client-ip=212.71.252.8; envelope-from=mail@cbaines.net; helo=mira.cbaines.net X-Spam_score_int: -18 X-Spam_score: -1.9 X-Spam_bar: - X-Spam_report: (-1.9 / 5.0 requ) BAYES_00=-1.9, SPF_HELO_PASS=-0.001, SPF_PASS=-0.001, T_SCC_BODY_TEXT_LINE=-0.01 autolearn=ham autolearn_force=no X-Spam_action: no action 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+larch=yhetil.org@gnu.org Sender: guix-patches-bounces+larch=yhetil.org@gnu.org X-Migadu-Flow: FLOW_IN X-Migadu-Country: US X-Migadu-Scanner: mx10.migadu.com X-Spam-Score: -7.28 X-Migadu-Queue-Id: 97FA9231A6 X-Migadu-Spam-Score: -7.28 X-TUID: o8eQtVPUfRj1 --=-=-= Content-Type: text/plain David Elsing writes: > This patch series updates rdkit and some of its dependencies. > > I incorporated the patch from [1], which was addressed upstream, but is > not in a new release yet. > > It seems like RDKit is only tested on 64 bit systems upstream and > several tests fail on i686 (including one due to a known bug in > Boost.Python [2]), therefore I set supported-systems to > %64bit-supported-systems. > > Avalon Toolkit moved to a new repository [3], which was forked for RDKit > [4]. As the changes in the fork are small and only fixes, I put them in > a patch and use [3] as upstream. > > [1] https://issues.guix.gnu.org/64559 > [2] https://github.com/boostorg/python/issues/312 > [3] https://github.com/rohdebe1/ava-formake > [4] https://github.com/rdkit/ava-formake > > David Elsing (9): > gnu: tinydir: Update to 1.2.6. > gnu: fast-float: Update to 6.0.0. > gnu: gemmi: Update to 0.6.4. > gnu: maeparser: Update to 1.3.1. > gnu: coordgenlibs: Update to 3.0.2. > gnu: yaehmop: Update to 2023.03.1. > gnu: avalon-toolkit: Update to 2.0.5a. > gnu: freesasa: Fix memerr tests. > gnu: rdkit: Update to 2023.09.4. Thanks for the patches David, they look good to me so I've pushed them all to master as e5bfc462dd695a570fe88c4c6d6efee808fd1a56. 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