<div dir="ltr"><p dir="ltr">Hi,</p>
<p dir="ltr">Well, every source file has moved, so your best strategy is definitely with git.</p><p dir="ltr">Assuming you haven't been using it, get a recent git version, use it to download the GROMACS repo, check out the tag that corresponds to your original starting point, and make a new branch named whatever suits you. Then, copy in your source code. Spend some time then minimizing the number of changes you can see with "git diff." You want to have no unnecessary code movement, copying, reformatting, etc. For any change larger than a line or two, package up your code into functions that you call from well-defined points. Put those functions into their own source and header file, and get everything building and working again. Make a new commit whose message describes what it does.<br>
</p>
<p dir="ltr">If you've now got very few points of contact with the main code, then use git merge straight to the release-5-0 branch. git will do a lot of the monkey work of file renaming for you. You may need to go looking for functions in new header files, or new locations for old code fragments. git grep is very much your friend there - search for function names, or unique-seeming comments. Ask here if you need some insight to resolve an issue.</p>
<p>If you've got a git history that you want to preserve and are still actively re-working, then you'll need to rebase. That's rather more work. Consider writing a script that will build and test your version, because you're going to want to do that lots of times while you rebase up. Google for some tutorial material on what git rebase does. Remember that because you've made a commit, git can "always" get back that commit if things get messed up. How best to manage the rebase depends very much on what your changes are, but basically you want to rebase over manageable chunks of history, check things work, and then move on. If things don't work, you know something that happened in the meantime is relevant, so maybe you can use</p>
<p>git log -- src/gromacs/somewhere/filename.c</p><p>to see what commits might have changed the relevant thing, and then go look there.</p>
<p dir="ltr">Mark</p>
<div class="gmail_quote">On Apr 23, 2014 12:43 PM, "Jorge de Antonio" <<a href="mailto:j.de.antonio@grs-sim.de" target="_blank">j.de.antonio@grs-sim.de</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi all,<br>
<br>
I am kind of new in this gromacs world so I hope this question doesn’t sound silly. I am wondering which major changes (in terms of the source code) are different in this version compared with the 4.6. I need to update some homemade code from the previous version.<br>
<br>
Cheers and thanks in advance,<br>
Jorge<br>
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