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[82.242.148.1]) by smtp.gmail.com with ESMTPSA id z16sm16906040wrl.0.2020.05.03.15.31.35 (version=TLS1_3 cipher=TLS_AES_128_GCM_SHA256 bits=128/128); Sun, 03 May 2020 15:31:35 -0700 (PDT) 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> From: Vincent Legoll Message-ID: Date: Mon, 4 May 2020 00:31:34 +0200 User-Agent: Mozilla/5.0 (X11; Linux x86_64; rv:68.0) Gecko/20100101 Thunderbird/68.7.0 MIME-Version: 1.0 In-Reply-To: <87y2q91evv.fsf@gnu.org> Content-Language: en-US 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 Hello Ludo, I removed the leftover scm code that was duplicating what is now in the patch, and added a patch header explaining what's going on. >> Vmd_molfile source is behind a registration-only web form, I'm >> not going there. > > Sounds reasonable: the headers say it’s part of Gromacs, and it’s > definitely free software, so it’s 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, patches follow.