{"id":36688754,"url":"https://github.com/converged-computing/lammps-time","last_synced_at":"2026-01-12T11:17:54.526Z","repository":{"id":261877934,"uuid":"885195001","full_name":"converged-computing/lammps-time","owner":"converged-computing","description":"Building lammps over time, 2016 until 2024 (testing, and under development)","archived":false,"fork":false,"pushed_at":"2024-11-24T19:23:55.000Z","size":5524,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-09-10T05:36:52.520Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Python","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/converged-computing.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,"zenodo":null,"notice":"NOTICE","maintainers":null,"copyright":"COPYRIGHT","agents":null,"dco":null,"cla":null}},"created_at":"2024-11-08T06:14:34.000Z","updated_at":"2024-11-24T19:23:59.000Z","dependencies_parsed_at":"2024-11-09T00:28:59.249Z","dependency_job_id":"0b3ba056-2e34-4419-80e3-64ddce2abb2f","html_url":"https://github.com/converged-computing/lammps-time","commit_stats":null,"previous_names":["converged-computing/lammps-time"],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/converged-computing/lammps-time","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/converged-computing%2Flammps-time","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/converged-computing%2Flammps-time/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/converged-computing%2Flammps-time/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/converged-computing%2Flammps-time/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/converged-computing","download_url":"https://codeload.github.com/converged-computing/lammps-time/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/converged-computing%2Flammps-time/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":28338970,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-01-12T10:58:46.209Z","status":"ssl_error","status_checked_at":"2026-01-12T10:58:42.742Z","response_time":98,"last_error":"SSL_connect returned=1 errno=0 peeraddr=140.82.121.5:443 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":[],"created_at":"2026-01-12T11:17:54.402Z","updated_at":"2026-01-12T11:17:54.509Z","avatar_url":"https://github.com/converged-computing.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"# LAMMPS over Time\n\nLet's try to build LAMMPS, specifically the reax app, over time, and see how it changes.\nWe will use the same Dockerfile with different versions to clone. This top level directory will\nbuild lammps base containers, and [fuse](fuse) will provide logic to install fuse and proot\nfor recording.\n\n# Building Containers\n\nLet's get the tags. I exported my GitHub token to the environment here.\nI could just write a Python script, but I'm being lazy.\n\n```bash\nmkdir -p ./releases\nfor page in $(seq 1 4)\n do\n  curl -L \\\n    -H \"Accept: application/vnd.github+json\" \\\n    -H \"Authorization: Bearer ${GITHUB_TOKEN}\" \\\n    -H \"X-GitHub-Api-Version: 2022-11-28\" \\\n    https://api.github.com/repos/lammps/lammps/releases?page=${page} \u003e releases/${page}.json\n    sleep 2\ndone\n```\n\nNow do builds from the tags. We are first going to try and build as many as we can with cmake.\nNote that we have added the `USER-REAXC` and it is needed started at patch_27May2021.\n\n```bash\nfor filename in $(ls ./releases)\n  do\n  for tag in $(cat ./releases/$filename | jq -r .[].tag_name)\n    do\n     echo \"Building tag $tag\"\n     docker build -f Dockerfile.cmake --build-arg LAMMPS_VERSION=${tag} -t ghcr.io/converged-computing/lammps-time:${tag} .\n     retval=$?\n     if [[ \"${retval}\" != \"0\" ]]; then\n         echo \"Tag ${tag} was not successful\"     \n     else\n      docker push ghcr.io/converged-computing/lammps-time:${tag}\n     fi\n  done\ndone\n```\n\nNow we need an older cmake (and ubuntu) for this next set (I tried focal and it didn't work).\n\n```bash\nfor tag in $(cat cmake-older-version.txt)\n  do\n  docker build -f Dockerfile.cmake --build-arg LAMMPS_VERSION=${tag} --build-arg tag=bionic -t ghcr.io/converged-computing/lammps-time:${tag} .\n   if [[ \"${retval}\" != \"0\" ]]; then\n    echo \"Tag ${tag} was not successful\"     \n  else\n    docker push ghcr.io/converged-computing/lammps-time:${tag}\n  fi\ndone\n```\n\nNext fall back to building from source method.\n\n```bash\nfor tag in $(cat non-cmake-tags.txt)\n  do\n  docker build --build-arg LAMMPS_VERSION=${tag} --build-arg tag=bionic -t ghcr.io/converged-computing/lammps-time:${tag} .\n   if [[ \"${retval}\" != \"0\" ]]; then\n    echo \"Tag ${tag} was not successful\"     \n  else\n    docker push ghcr.io/converged-computing/lammps-time:${tag}\n  fi\ndone\n```\n\n## License\n\nHPCIC DevTools is distributed under the terms of the MIT license.\nAll new contributions must be made under this license.\n\nSee [LICENSE](https://github.com/converged-computing/cloud-select/blob/main/LICENSE),\n[COPYRIGHT](https://github.com/converged-computing/cloud-select/blob/main/COPYRIGHT), and\n[NOTICE](https://github.com/converged-computing/cloud-select/blob/main/NOTICE) for details.\n\nSPDX-License-Identifier: (MIT)\n\nLLNL-CODE- 842614\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fconverged-computing%2Flammps-time","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fconverged-computing%2Flammps-time","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fconverged-computing%2Flammps-time/lists"}