Sounds good to me. I'll add your account when at my computer. On Tue, 17 Dec 2019, 06:48 Rzepa, Henry S, <h.rz...@imperial.ac.uk> wrote:
> I am happy for you to go ahead! > > Thanks. > > Henry Rzepa > > On 17 Dec 2019, at 02:04, Oliver Stueker <oliver.stue...@mun.ca> wrote: > > > > This email from oliver.stue...@mun.ca originates from outside Imperial. > Do not click on links and attachments unless you recognise the sender. If > you trust the sender, add them to your safe senders list > <https://spam.ic.ac.uk/SpamConsole/Senders.aspx> to disable email > stamping for this address. > > > Dear All (especially Egon and Henry), > > I'd really like to hear your opinion (in favor or against) adding these > WWMM and CML source-code repositories to https://github.com/BlueObelisk. > > If you agree that BlueObelisk is a suitable destination, someone (Egon?) > would need to add my GitHub account (ostueker) to that GH-organization, so > that I can create the repos. > If you have concerns about adding this to BlueObelisk, please let me know > and I'll simply create a new GH-organization (how about WWMolecularMatrix > or ChemicalMarkupLanguage ?). > > > Cheers, > Oliver > > > > On Sat, Dec 14, 2019 at 2:40 AM Peter Murray-Rust <pm...@cam.ac.uk> wrote: > >> 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 >> _______________________________________________ >> Blueobelisk-discuss mailing list >> Blueobelisk-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss >> > > > -- > Oliver Stueker, Dr.rer.nat. - Computational Research Consultant > Memorial University of Newfoundland - ACENET - Compute Canada > Email: supp...@ace-net.ca Web: http://www.ace-net.ca > Phone: +1 (709) 864-3021 Office: HH2033 > > _______________________________________________ > Blueobelisk-discuss mailing list > Blueobelisk-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss >
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