Many thanks Oliver,
Copying Mark Williamson

On Fri, Dec 13, 2019 at 8:01 PM Oliver Stueker <oliver.stue...@mun.ca>
wrote:

> Dear Henry, Egon and Blue Obelisk team,
>
>
I'd first like to thank Oliver for the several years that he has forked and
maintained JUMBO-converters software in the context of
https://retrievium.com/ . Oliver was on this project which develops
computational chemistry tools and has a CML component. I has used
JUMBO-converters in the past and may do again.

Oliver is now in Newfoundland, Canada and no longer in chemistry but has
generously offered to help this migration. He knows more about the details
of this than I.

His JUMBO fork has taken place since my last commits (which will have been
about 2013 - with minor additional features in 2017 (Scala).


> Today Peter (Murray-Rust) and I had a conversation about the future of the
> source-code repositories of the WWMM and CML (XML-CML.org) projects.
>
...

Makes complete sense. I use only Github at present.

>
> Peter and I have agreed that we want to transfer all of the repositories
> (which include projects like oscar4, JUMBO, the JUMBO-converters, the CML
> schema and dictionaries) over into a new "Organization" on GitHub which
> would then allow to grant merge privileges or even transfer ownership in
> case a new "Doctor Who" wants to take on development.
>

Absolutely. I am very happy to hand over to a new Doctor Who - including
Oliver if he wishes - and also to take his current forks if there are no
other developments in the last few years that conflict with Oliver's fork.

>
> Peter suggested that the "Blue Obelisk" might be a good place for the
> repositories and I see that https://github.com/BlueObelisk already exists
> and contain the code for the Blue Obelisk website and  Blue Obelisk Data
> Repository.
>
>
Makes sense - we have suffered from having to migrate at verious times and
keep services running and Github looks like a one-stop shop.

We would like to get your feedback on a number of points:
>
>    - Do you also think that https://github.com/BlueObelisk would be a
>    good home for the WWMM and CML repositories?  The names wwmm and cml are
>    already taken on GitHub.com.
>
>
> I think the names may belong to me and I may have forgotten passwords .

>
>    -
>    - With https://github.com/BlueObelisk already containing data, should
>    we create "Teams" within the "BlueObelisk-org" to  keep things tidy and
>    manage access?
>
> I don't think I ised teamns on BB. What is the virtue if the numbers are
small?

>
>    -
>    - Should we at some point migrate the xml-cml.org website to be hosted
>    directly out of the Git-repository?
>    This would allow publishing updates simply by merging Pull Requests.
>    Who runs the current website (and manages the xml-cml.org domain)?
>    Henry?
>
> I'd be happy to work on migrating the repositories from Bitbucket (hg) to
> GitHub (git) over the holidays and even try using GitHub Actions or
> Travis-CI for building for some select repositories.
>
> What are your thoughts?
>
> Cheers,
> Peter and Oliver
>
> <https://bitbucket.org/blog/sunsetting-mercurial-support-in-bitbucket>
>>
>

>
>>
>> From 2014 to 2016, our team at Memorial University has expanded the
>> JUMBO-converters as well as a few CML-CompChem dictionaries, however so far
>> we fell short at contributing our changes back to the original projects.
>>
>
Ideally dictionaries shiudl be centrally maintained but I suspect this has
been patchy.

>
>> Now with the risk of all the work being lost when Bitbucket pulls the
>> plug on Mercurial, it's time to take action.
>>
>> The first course of action from my side will be to create Pull-Requests
>> containing our work done in the JUMBO-converters and xml-cml.org
>> repositories, because it will be much harder to merge them after the
>> Mercurial-repositories have been moved elsewhere or converted to Git.
>>
>
Agreed

>
>> Next is the question of what will happen to all the Mercurial
>> repositories at https://bitbucket.org/wwmm/ and
>> https://bitbucket.org/cml/ ?
>>
>>    - Do all repositories need to be migrated?
>>    I think I've counted 50 repositories but I have no idea how many of
>>    them contain data that has later-on been combined into other repositories.
>>
>> It depends on the effort. it may be harder to work out what to migrate
than actually to migrate it. But I can try to annotate.

>
>>    - Should they be converted to Git and re-uploaded to BitBucket?
>>    As I understand, data about issues and pull-requests will likely get
>>    lost during the process.
>>
>> I don't think this matters from my side.  I don't think we have many
issues that are active?

>
>>    - Wikis are repositories as well and can/need to be converted from
>>    Mercurial to Git  as well.
>>    It might be possible to export and re-import the issues though.
>>    - Maybe move to another hosting site?  GitHub? GitLab?
>>    Unfortunately https://github.com/wwmm and https://github.com/cml are
>>    already taken.
>>
>>
>> I don't have absolute objections to Github (I know some people do)


> I'm happy to pitch in and work on migrating *some* of the repositories.
>>
>> As I had been working with Git quite a lot before my work on
>> JUMBO-converters, I have been using the git-remote-gh plugin
>> <https://github.com/felipec/git-remote-hg> the whole time.  This allows
>> you to use the Git command line tools to work on hg repositories
>> transparently.
>>
>>
Thank you.
P.


>
>>
>>

-- 
"I always retain copyright in my papers, and nothing in any contract I sign
with any publisher will override that fact. You should do the same".

Peter Murray-Rust
Reader Emeritus in Molecular Informatics
Unilever Centre, Dept. Of Chemistry
University of Cambridge
CB2 1EW, UK
+44-1223-763069
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