From mboxrd@z Thu Jan 1 00:00:00 1970 Return-Path: Received: from mp2 ([2001:41d0:2:4a6f::]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits)) by ms11 with LMTPS id MHtAChzVr15odQAA0tVLHw (envelope-from ) for ; Mon, 04 May 2020 08:41:00 +0000 Received: from aspmx1.migadu.com ([2001:41d0:2:4a6f::]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits)) by mp2 with LMTPS id OEnlBybVr15QIwAAB5/wlQ (envelope-from ) for ; Mon, 04 May 2020 08:41:10 +0000 Received: from lists.gnu.org (lists.gnu.org [IPv6:2001:470:142::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 1DCAE940019 for ; Mon, 4 May 2020 08:41:09 +0000 (UTC) Received: from localhost ([::1]:49586 helo=lists1p.gnu.org) by lists.gnu.org with esmtp (Exim 4.90_1) (envelope-from ) id 1jVWey-0002Pi-FZ for larch@yhetil.org; Mon, 04 May 2020 04:41:08 -0400 Received: from eggs.gnu.org ([2001:470:142:3::10]:41218) by lists.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_256_GCM_SHA384:256) (Exim 4.90_1) (envelope-from ) id 1jVWes-0002On-BG for guix-patches@gnu.org; Mon, 04 May 2020 04:41:02 -0400 Received: from debbugs.gnu.org ([209.51.188.43]:47372) by eggs.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_128_GCM_SHA256:128) (Exim 4.90_1) (envelope-from ) id 1jVWes-0000yf-2K for guix-patches@gnu.org; Mon, 04 May 2020 04:41:02 -0400 Received: from Debian-debbugs by debbugs.gnu.org with local (Exim 4.84_2) (envelope-from ) id 1jVWer-0002Hx-W6 for guix-patches@gnu.org; Mon, 04 May 2020 04:41:01 -0400 Subject: bug#40691: [PATCH v6 0/3] gnu: Add gromacs, tng & lmfit. Resent-From: Ludovic =?UTF-8?Q?Court=C3=A8s?= Original-Sender: "Debbugs-submit" Resent-To: guix-patches@gnu.org Resent-Date: Mon, 04 May 2020 08:41:01 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: cc-closed 40691 X-GNU-PR-Package: guix-patches X-GNU-PR-Keywords: patch To: Vincent Legoll Cc: 40691-done@debbugs.gnu.org Mail-Followup-To: 40691@debbugs.gnu.org, ludo@gnu.org, vincent.legoll@gmail.com Received: via spool by 40691-done@debbugs.gnu.org id=D40691.15885816428759 (code D ref 40691); Mon, 04 May 2020 08:41:01 +0000 Received: (at 40691-done) by debbugs.gnu.org; 4 May 2020 08:40:42 +0000 Received: from localhost ([127.0.0.1]:58916 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1jVWeX-0002HD-Rk for submit@debbugs.gnu.org; Mon, 04 May 2020 04:40:42 -0400 Received: from eggs.gnu.org ([209.51.188.92]:38170) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1jVWeW-0002H2-Vv for 40691-done@debbugs.gnu.org; Mon, 04 May 2020 04:40:41 -0400 Received: from fencepost.gnu.org ([2001:470:142:3::e]:52918) by eggs.gnu.org with esmtp (Exim 4.90_1) (envelope-from ) id 1jVWeR-0000qH-NR; Mon, 04 May 2020 04:40:35 -0400 Received: from [2a01:e0a:1d:7270:af76:b9b:ca24:c465] (port=51418 helo=ribbon) by fencepost.gnu.org with esmtpsa (TLS1.2:RSA_AES_256_CBC_SHA1:256) (Exim 4.82) (envelope-from ) id 1jVWeR-0005ju-Ay; Mon, 04 May 2020 04:40:35 -0400 From: Ludovic =?UTF-8?Q?Court=C3=A8s?= References: <87k12b15ki.fsf@gnu.org> <36e8a145-1ca8-c380-9864-dbf8b1fd53cb@gmail.com> <87y2qnv8da.fsf@gnu.org> <87lfmmnfn0.fsf@gnu.org> <5ff814d6-e0da-f5c9-8ae1-29cf40f87702@gmail.com> <87y2q91evv.fsf@gnu.org> Date: Mon, 04 May 2020 10:40:33 +0200 In-Reply-To: (Vincent Legoll's message of "Mon, 4 May 2020 00:31:34 +0200") Message-ID: <87k11st7ni.fsf@gnu.org> User-Agent: Gnus/5.13 (Gnus v5.13) Emacs/26.3 (gnu/linux) MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: quoted-printable X-Spam-Score: -2.3 (--) X-BeenThere: debbugs-submit@debbugs.gnu.org X-Mailman-Version: 2.1.18 Precedence: list X-Spam-Score: -3.3 (---) 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" X-Scanner: scn0 X-Spam-Score: -1.01 Authentication-Results: aspmx1.migadu.com; dkim=none; dmarc=none; spf=pass (aspmx1.migadu.com: domain of guix-patches-bounces@gnu.org designates 2001:470:142::17 as permitted sender) smtp.mailfrom=guix-patches-bounces@gnu.org X-Scan-Result: default: False [-1.01 / 13.00]; RCVD_VIA_SMTP_AUTH(0.00)[]; GENERIC_REPUTATION(0.00)[-0.49435424821687]; TO_DN_SOME(0.00)[]; R_SPF_ALLOW(-0.20)[+ip6:2001:470:142::/48:c]; IP_REPUTATION_HAM(0.00)[asn: 22989(0.14), country: US(-0.00), ip: 2001:470:142::17(-0.49)]; DWL_DNSWL_FAIL(0.00)[2001:470:142::17:server fail]; MX_GOOD(-0.50)[cached: eggs.gnu.org]; RCPT_COUNT_TWO(0.00)[2]; MAILLIST(-0.20)[mailman]; FREEMAIL_TO(0.00)[gmail.com]; RCVD_IN_DNSWL_FAIL(0.00)[2001:470:142::17:server fail]; RCVD_TLS_LAST(0.00)[]; R_DKIM_NA(0.00)[]; ASN(0.00)[asn:22989, ipnet:2001:470:142::/48, country:US]; MID_RHS_MATCH_FROM(0.00)[]; TAGGED_FROM(0.00)[larch=yhetil.org]; ARC_NA(0.00)[]; FORGED_RECIPIENTS_MAILLIST(0.00)[]; FROM_NEQ_ENVFROM(0.00)[ludo@gnu.org,guix-patches-bounces@gnu.org]; FROM_HAS_DN(0.00)[]; TAGGED_RCPT(0.00)[]; MIME_GOOD(-0.10)[text/plain]; DMARC_NA(0.00)[gnu.org]; HAS_LIST_UNSUB(-0.01)[]; MIME_TRACE(0.00)[0:+]; RCVD_COUNT_SEVEN(0.00)[9]; FORGED_SENDER_MAILLIST(0.00)[] X-TUID: ZbLIgkFc2FiR Hi Vincent, Vincent Legoll skribis: >>> Vmd_molfile source is behind a registration-only web form, I'm >>> not going there. >> >> Sounds reasonable: the headers say it=E2=80=99s part of Gromacs, and it= =E2=80=99s >> definitely free software, so it=E2=80=99s OK to keep it here. > > Added comment. > >>> Thread_mpi looks like it is made to be bundled like that, and >>> is part of the parallelizing of gromacs which is above my >>> level of understanding (I'm only trying to package it, I'm not >>> a user). More info here: >> >> Sounds good. Perhaps a comment in the code to state that would be >> welcome, for our future selves. > > Added comment. > > Put tng & gromacs in chemistry.scm, in fact gromacs sci domain is > chemistry, even if also used in bioinfo. Added more comments for > patch & still bundled 3rdparties. > > Moved lmfit to algebra.scm, shortened synopsis. > > I think I fixed all review comments. Thanks a lot, applied! (Will push shortly.) Ludo=E2=80=99.