{"id":18089017,"url":"https://github.com/eriksjolund/install-ensemble-into-a-linux-container","last_synced_at":"2026-01-19T11:32:56.874Z","repository":{"id":92822798,"uuid":"161162700","full_name":"eriksjolund/install-ensemble-into-a-linux-container","owner":"eriksjolund","description":"Install Ensemble Suite (NMR software) into a Linux container","archived":false,"fork":false,"pushed_at":"2018-12-10T12:15:45.000Z","size":9,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":2,"default_branch":"master","last_synced_at":"2025-04-06T02:32:19.109Z","etag":null,"topics":["installation-notes","nmr","nmr-spectroscopy","singularity-container"],"latest_commit_sha":null,"homepage":null,"language":null,"has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/eriksjolund.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2018-12-10T11:13:49.000Z","updated_at":"2018-12-10T12:22:41.000Z","dependencies_parsed_at":"2023-03-16T08:45:52.457Z","dependency_job_id":null,"html_url":"https://github.com/eriksjolund/install-ensemble-into-a-linux-container","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/eriksjolund/install-ensemble-into-a-linux-container","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/eriksjolund%2Finstall-ensemble-into-a-linux-container","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/eriksjolund%2Finstall-ensemble-into-a-linux-container/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/eriksjolund%2Finstall-ensemble-into-a-linux-container/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/eriksjolund%2Finstall-ensemble-into-a-linux-container/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/eriksjolund","download_url":"https://codeload.github.com/eriksjolund/install-ensemble-into-a-linux-container/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/eriksjolund%2Finstall-ensemble-into-a-linux-container/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":28566453,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-01-19T08:53:44.001Z","status":"ssl_error","status_checked_at":"2026-01-19T08:52:40.245Z","response_time":67,"last_error":"SSL_connect returned=1 errno=0 peeraddr=140.82.121.6:443 state=error: unexpected eof while reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["installation-notes","nmr","nmr-spectroscopy","singularity-container"],"created_at":"2024-10-31T17:42:40.505Z","updated_at":"2026-01-19T11:32:56.858Z","avatar_url":"https://github.com/eriksjolund.png","language":null,"funding_links":[],"categories":[],"sub_categories":[],"readme":"# install-ensemble-into-a-linux-container\nInstall Ensemble Suite (NMR software) into a Linux container. \n\n__Status__: Right now all the software dependencies for the Ensemble software are installed into the container but not the Ensemble software itself. Instead  the Ensemble sofware is installed into the user's home directory. A future goal would be to install everything into the container.\n\n## Introduction\n\nWriting down some notes about attempts to install Ensemble into a Singularity Linux container.\nThe Ensemble software is avaible from:\nhttp://abragam.med.utoronto.ca/~JFKlab/\n\n## Building the Singularity container\n\nSingularity version 3.0.1 was used\n\n```\n    user@laptop:~$ singularity --version\n    singularity version 3.0.1-145.gc9822fec\n```\n\nSee also [Singularity installation instructions](https://github.com/sylabs/singularity/blob/master/INSTALL.md)\n\n\nClone the repo \n\n```\n    user@laptop:~$ git clone https://github.com/eriksjolund/install-ensemble-into-a-linux-container.git \n```\n\nBuild the container and have the result written to the file ensembleCentos6.sif  (an arbitrarily chosen filename).\n\n```\n    user@laptop:~$ sudo singularity build ensembleCentos6.sif install-ensemble-into-a-linux-container/ensemble.dif\n```\n\nInstall Ensemble\n\n```\n    user@laptop:~$ singularity shell ensembleCentos6.sif\n    Singularity ensembleCentos6:~/\u003e cd ensemble \n    Singularity ensembleCentos6:~/ensemble\u003e LC_ALL=C csh ensemble_inst.csh\n```\n\n\nRun Ensemble\n\n```\n    user@laptop:~$ singularity shell ensembleCentos6.sif\n    Singularity ensembleCentos6:~/ensemble\u003e source ~/.bashrc\n    user@laptop:~$ LC_ALL=C ensemble /home/user/ensemble/ENSEMBLE/example/example.par\n```\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Feriksjolund%2Finstall-ensemble-into-a-linux-container","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Feriksjolund%2Finstall-ensemble-into-a-linux-container","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Feriksjolund%2Finstall-ensemble-into-a-linux-container/lists"}