Cuda docker base#4
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Isolate the non-portable GROMACS compile (GMX_* args) from an arch-neutral base, and install md-workflows last for cache correctness. Add ci.yml (ruff lint + buildx --check, no push). Pin [tool.ruff], move ruff to a dev extra, and make the tree lint-clean. The actl overlay moves to the astera branch as Dockerfile.actl. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
Scope push to [main, astera] and let pull_request cover feature branches, so a single push to a PR branch no longer matches both a wildcard push and pull_request trigger. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
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Switch to single stage base image as CUDA development image 12.6 to enable compilation of software with CUDA tools both for image and runtime.