:) I'm still learning a lot about Docker, which I find a challenge with time I need to spend on teaching, writing/reading papers, and writing grant proposals... Fortunately, I increasingly have people around me that can help...
Chris, yes, Maria's problem should be solved... I know how to deploy a Docker to DockerHub now but have yet to figure out how to make a Docker(file) from scratch... my PhD has not had time yet to teach me that... I split out this thread, because it is interesting to have CDK microservices... like John's CDKDepict... and how we want to annotated them with metadata (bioschemas, bio.tools, etc...) so that these services are FAIR too... that I had in mind of this fork of the Docker discussion... Egon On Tue, Sep 11, 2018 at 5:50 PM John Mayfield <john.wilkinson...@gmail.com> wrote: > It doesn't use InChI :-). > > On Tue, 11 Sep 2018 at 16:43, Egon Willighagen <egon.willigha...@gmail.com> > wrote: > >> Anyway, I'm quite excited about the idea of a Docker for CDK >> functionality... (well, excited it triggered here not so much I am entirely >> sure this is a fantastic platform, but in our OpenRiskNet we use it for >> workflows, and being able to replace some stuff with CDK functionality in >> that cloud *is* exciting :) >> >> John, how is your CDK Depict docker [0] set up then? >> >> Egon >> >> 0.https://hub.docker.com/r/simolecule/cdkdepict/ >> >> >> On Tue, Sep 11, 2018 at 5:03 PM Maria Sorokina <maria.ssorok...@gmail.com> >> wrote: >> >>> I am building my jar with Maven, but I don’t think that it is the >>> problem, as I tried tu run the jar on a Centos7 VM having just Java and it >>> worked without any problem. >>> I also desperately tried the dirty solution of downloading the manifest >>> and the jniinchi-1.03_1-LINUX-AMD64.so files the ini-inchi seems to >>> search for and put them where it seems to search them within the container, >>> but, of course it failed. >>> >>> I’ll try to search for a solution, but for now I’ll just do my thing >>> without containerizing this part of my app. If I find a solution, I’ll post >>> it here. Meanwhile, I’m still very open to any suggestion! >>> >> >> >> -- >> E.L. Willighagen >> Department of Bioinformatics - BiGCaT >> Maastricht University (http://www.bigcat.unimaas.nl/) >> Homepage: http://egonw.github.com/ >> Blog: http://chem-bla-ics.blogspot.com/ >> PubList: https://www.zotero.org/egonw >> ORCID: 0000-0001-7542-0286 <http://orcid.org/0000-0001-7542-0286> >> ImpactStory: https://impactstory.org/u/egonwillighagen >> > -- E.L. Willighagen Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: https://www.zotero.org/egonw ORCID: 0000-0001-7542-0286 <http://orcid.org/0000-0001-7542-0286> ImpactStory: https://impactstory.org/u/egonwillighagen
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