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ci: build base/gromacs on hosted runners -> private Docker Hub#9

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bielj merged 1 commit into
asterafrom
ci-dockerhub-intermediates
Jun 30, 2026
Merged

ci: build base/gromacs on hosted runners -> private Docker Hub#9
bielj merged 1 commit into
asterafrom
ci-dockerhub-intermediates

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@bielj

@bielj bielj commented Jun 30, 2026

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Moves the ChimeraX-dependent base/gromacs builds off the locked-down diffuse-sh-builder (which can't reach cgl.ucsf.edu) to GitHub-hosted runners with open egress, publishing the intermediates to private docker.io/diffuseproject/md (base-/gromacs- tags). Only actl stays on diffuse-sh-builder: it logs in to Docker Hub to pull the private gromacs intermediate and to Harbor to push the final library/md-workflows image. Adds DOCKERHUB_USERNAME/TOKEN (from the harbor environment) + a free-disk step on the hosted jobs.

Moves the ChimeraX-dependent base/gromacs builds off the locked-down diffuse-sh-builder (which can't reach cgl.ucsf.edu) to GitHub-hosted runners with open egress, publishing the intermediates to private docker.io/diffuseproject/md (base-*/gromacs-* tags). Only actl stays on diffuse-sh-builder: it logs in to Docker Hub to pull the private gromacs intermediate and to Harbor to push the final library/md-workflows image. Adds DOCKERHUB_USERNAME/TOKEN (from the harbor environment) + a free-disk step on the hosted jobs.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
@bielj bielj merged commit d2b2905 into astera Jun 30, 2026
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@bielj bielj deleted the ci-dockerhub-intermediates branch June 30, 2026 15:51
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