Message ID | aacb9fad-5901-7907-92f6-e5bcef2b7248@gmail.com |
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Headers | show |
Hi Vincent, Vincent Legoll <vincent.legoll@gmail.com> skribis: >>> 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 a lot, applied! (Will push shortly.) Ludo’.