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<mailto: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<mailto: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<http://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<http://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<http://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<mailto: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<mailto:supp...@ace-net.ca> Web: http://www.ace-net.ca<http://www.ace-net.ca/> Phone: +1 (709) 864-3021 Office: HH2033
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