From patchwork Thu Aug 18 20:42:33 2022 Content-Type: text/plain; charset="utf-8" MIME-Version: 1.0 Content-Transfer-Encoding: 8bit X-Patchwork-Submitter: Ricardo Wurmus X-Patchwork-Id: 41759 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 7A45227BBEA; Thu, 18 Aug 2022 21:49:28 +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 2826327BBE9 for ; Thu, 18 Aug 2022 21:49:24 +0100 (BST) Received: from localhost ([::1]:56990 helo=lists1p.gnu.org) by lists.gnu.org with esmtp (Exim 4.90_1) (envelope-from ) id 1oOmSB-00009q-Ac for patchwork@mira.cbaines.net; Thu, 18 Aug 2022 16:49:23 -0400 Received: from eggs.gnu.org ([2001:470:142:3::10]:45996) by lists.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_256_GCM_SHA384:256) (Exim 4.90_1) (envelope-from ) id 1oOmRq-00009b-Gb for guix-patches@gnu.org; Thu, 18 Aug 2022 16:49:02 -0400 Received: from debbugs.gnu.org ([209.51.188.43]:38834) by eggs.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_128_GCM_SHA256:128) (Exim 4.90_1) (envelope-from ) id 1oOmRq-0000lC-4u for guix-patches@gnu.org; Thu, 18 Aug 2022 16:49:02 -0400 Received: from Debian-debbugs by debbugs.gnu.org with local (Exim 4.84_2) (envelope-from ) id 1oOmRq-0001Z1-0v for guix-patches@gnu.org; Thu, 18 Aug 2022 16:49:02 -0400 X-Loop: help-debbugs@gnu.org Subject: [bug#57135] [PATCH] gnu: Add mrbayes. Resent-From: Ricardo Wurmus Original-Sender: "Debbugs-submit" Resent-CC: guix-patches@gnu.org Resent-Date: Thu, 18 Aug 2022 20:49:01 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: followup 57135 X-GNU-PR-Package: guix-patches X-GNU-PR-Keywords: patch To: =?utf-8?b?TcSDZMSDbGlu?= Ionel =?utf-8?b?UGF0cmHImWN1?= Cc: 57135@debbugs.gnu.org X-Debbugs-Original-Cc: 57135@debbugs.gnu.org, debbugs-submit@debbugs.gnu.org Received: via spool by 57135-submit@debbugs.gnu.org id=B57135.16608556865892 (code B ref 57135); Thu, 18 Aug 2022 20:49:01 +0000 Received: (at 57135) by debbugs.gnu.org; 18 Aug 2022 20:48:06 +0000 Received: from localhost ([127.0.0.1]:56814 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1oOmQw-0001Wu-5F for submit@debbugs.gnu.org; Thu, 18 Aug 2022 16:48:06 -0400 Received: from sender4-of-o50.zoho.com ([136.143.188.50]:21063) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1oOmQq-0001W1-TX; Thu, 18 Aug 2022 16:48:04 -0400 ARC-Seal: i=1; a=rsa-sha256; t=1660855678; cv=none; d=zohomail.com; s=zohoarc; b=kXsS50zNjexTVMEFuuRxLVuTYacGxFQk4NgpEV7fSGHglUF6PdijAG40zKijkGbQ5zeDLtagIAU0W+sJmvI932RD1narYIa9AMYlA7rUhgc5wrjGy6H2in8ygv0B50oGMjC2N2svt1p49mX2TJa1SEPR3B82Tm2rYnwb7L7ZBjI= ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=zohomail.com; s=zohoarc; t=1660855678; h=Content-Type:Cc:Date:From:In-Reply-To:MIME-Version:Message-ID:References:Subject:To; bh=QbuWyewDLWPkf3skINdEaN4o5wtuwYpl1Vx4YgGTQro=; b=DecEbEHSAvaUzNqD9oeKd9kwzH/BHlRPJIG65ptOEzuHQcuUAyZPN24fYibnsh04n2U1Q8RpjFFY0hFUEs52pyFLHsGP9YUDnivrS8Hh0lboLI+vUS/CKeD4qNNhbIuEgbHqWSrWvWSlIMrGUP/9+0/dpDvtjCCHvmrZcsTp5B0= ARC-Authentication-Results: i=1; mx.zohomail.com; dkim=pass header.i=elephly.net; spf=pass smtp.mailfrom=rekado@elephly.net; dmarc=pass header.from= DKIM-Signature: v=1; a=rsa-sha256; q=dns/txt; c=relaxed/relaxed; t=1660855678; s=zoho; d=elephly.net; i=rekado@elephly.net; h=References:From:From:To:To:Cc:Cc:Subject:Subject:Date:Date:In-reply-to:Message-ID:MIME-Version:Content-Type:Message-Id:Reply-To; bh=QbuWyewDLWPkf3skINdEaN4o5wtuwYpl1Vx4YgGTQro=; b=WzBtsAXGEWlg2zcotYURl3cNGjsXMycB1eJ7lMJa/pxkrSl97JHyPp2G2scnSnru Dz8ChJKpxcsyTWMp/58qS+inT6SvbCCLJJMd9q5DHkFYT3pZ4wERL6DN2lb8juhHIQg gbc/5uaa63WwM+5UDHkfxfjlbTZLnrOKGrc3hZqA= Received: from localhost (252-109-142-46.pool.kielnet.net [46.142.109.252]) by mx.zohomail.com with SMTPS id 1660855675945773.4564793149254; Thu, 18 Aug 2022 13:47:55 -0700 (PDT) References: <20220811083010.25264-1-madalinionel.patrascu@mdc-berlin.de> User-agent: mu4e 1.8.7; emacs 28.1 From: Ricardo Wurmus Date: Thu, 18 Aug 2022 22:42:33 +0200 In-reply-to: <20220811083010.25264-1-madalinionel.patrascu@mdc-berlin.de> X-URL: https://elephly.net X-PGP-Key: https://elephly.net/rekado.pubkey X-PGP-Fingerprint: BCA6 89B6 3655 3801 C3C6 2150 197A 5888 235F ACAC Message-ID: <871qtd46tj.fsf@elephly.net> MIME-Version: 1.0 X-ZohoMailClient: External X-Zoho-Virus-Status: 1 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 Hi Mădălin, > * gnu/packages/bioinformatics.scm (mrbayes): New variable. Thanks for the patch. Unfortunately, there are a few problems. - you added autoconf and automake, but neither of these is used as the git checkout includes a pre-built “configure” script and “Makefile.in” - we cannot use the “configure” script as is, because the build system uses AX_EXT, which unconditionally adds -msse* compiler flags when the CPU on the build node supports these features. This means that we cannot build a generic binary. The build system ignores “--disable-sse”, “--disable-avx”, and “--disable-fma” because of AX_EXT. - we cannot rebuild the “configure” script because the bootstrap phase fails with an error. Adding pkg-config to the native inputs does not seem to fix this either, so more investigation is needed. - consider adding openmpi and use --enable-mpi. - consider shortening the description. Especially the parts that mention proprietary software or trademarks (UNIX and Macintosh, as well as NVIDIA) should be removed. Could you please revise this and send an updated patch? diff --git a/gnu/packages/bioinformatics.scm b/gnu/packages/bioinformatics.scm index fcca9ef115..6ca257245a 100644 --- a/gnu/packages/bioinformatics.scm +++ b/gnu/packages/bioinformatics.scm @@ -11269,56 +11269,63 @@ (define-public mrbayes "1c4qg4wd6lhj1if5g6462pk15bhh7v84ys92sp47yih7lrkk2jd6")))) (properties `((upstream-name . "MrBayes"))) (build-system gnu-build-system) + (arguments + (list + #:configure-flags '(list "--enable-sse=no" + "--enable-avx=no" + "--enable-fma=no" + "--with-mpi" + "--without-beagle") + #:phases + `(modify-phases %standard-phases + (add-after 'unpack 'do-not-detect-CPU-features + (lambda _ + (delete-file "configure") + (delete-file "aclocal.m4") + (substitute* "configure.ac" + (("AC_CONFIG_AUX_DIR.*") "") + (("AC_CONFIG_MACRO_DIRS.*") "") + (("^AX_EXT") ""))))))) + (inputs + (list openmpi)) (native-inputs - (list automake - autoconf)) + (list autoconf autoconf-archive automake pkg-config)) (home-page "https://github.com/NBISweden/MrBayes/") (synopsis "Bayesian inference of phylogeny") (description - "@code{MrBayes} is a program for Bayesian inference and model choice across -a wide range of phylogenetic and evolutionary models. @code{MrBayes} uses @dfn{ -MCMC} (Markov chain Monte Carlo) methods to estimate the posterior distribution -of model parameters. Program features include: + "@code{MrBayes} is a program for Bayesian inference and model choice +across a wide range of phylogenetic and evolutionary models. @code{MrBayes} +uses @dfn{MCMC} (Markov chain Monte Carlo) methods to estimate the posterior +distribution of model parameters. Program features include: + @itemize -@item -analysis of nucleotide, amino acid, restriction site, and morphological data; -@item -mixing of data types, such as molecular and morphological characters, in a single -analysis; -@item -easy linking and unlinking of parameters across data partitions; -@item -multiple evolutionary models, including 4x4, doublet, and codon models for -nucleotide data and many of the standard rate matrices for amino acid data; -@item -estimation of positively selected sites in a fully hierarchical Bayesian framework; -@item -full integration of the @code{BEST} algorithms for the multi-species coalescent; -@item -estimation of time calibrated (clock) trees using a variety of (strict and) -relaxed-clock models; -@item -support for complex combinations of positive, negative, and backbone constraints -on topologies; -@item -model jumping across the @code{GTR} model space and across fixed rate matrices -for amino acid data; -@item -monitoring of convergence during the analysis, and access to a wide range of -convergence diagnostics tools after the analysis has finished; -@item -rich summaries of posterior samples of branch and node parameters printed to -majority rule consensus trees in FigTree format; -@item -implementation of the stepping-stone method for accurate estimation of model -likelihoods for Bayesian model choice using Bayes factors; -@item -ability to spread jobs over a cluster of computers using @code{MPI} (for -Macintosh and UNIX environments only); -@item -support for the @code{BEAGLE} library, resulting in dramatic speedups for codon -and amino acid models on compatible hardware (NVIDIA graphics cards); -@end itemize") +@item analysis of nucleotide, amino acid, restriction site, and morphological + data; +@item mixing of data types, such as molecular and morphological characters, in + a single analysis; +@item easy linking and unlinking of parameters across data partitions; +@item multiple evolutionary models, including 4x4, doublet, and codon models + for nucleotide data and many of the standard rate matrices for amino acid + data; +@item estimation of positively selected sites in a fully hierarchical Bayesian + framework; +@item full integration of the @code{BEST} algorithms for the multi-species + coalescent; +@item estimation of time calibrated trees using a variety of (strict and) + relaxed-clock models; +@item support for complex combinations of positive, negative, and backbone + constraints on topologies; +@item model jumping across the @code{GTR} model space and across fixed rate + matrices for amino acid data; +@item monitoring of convergence during the analysis, and access to a wide + range of convergence diagnostics tools after the analysis has finished; +@item rich summaries of posterior samples of branch and node parameters + printed to majority rule consensus trees in FigTree format; +@item implementation of the stepping-stone method for accurate estimation of + model likelihoods for Bayesian model choice using Bayes factors; +@item ability to spread jobs over a cluster of computers using @code{MPI}. +@end itemize +") (license license:gpl3))) (define-public sjcount