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Feature/enhancement/docker port standardization #4

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merged 5 commits into from
Mar 13, 2025

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lanzac
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@lanzac lanzac commented Mar 13, 2025

This PR updates all occurrences of port 3000 to port 8888 to align with the default port used by UnityMol and GROMACS for IMD (Interactive Molecular Dynamics) communication.

Dependency:
⚠️ This PR depends on another PR in the related MDDriver repository: LBT-CNRS/MDDriver#7
Please ensure that the linked PR is merged (and tested) before merging this one to avoid breaking compatibility.

Andre Lanrezac and others added 3 commits March 11, 2025 16:55
…tion

Added a provisional enhancement to the `run` target in base.mk to improve the user experience before modularizing the Docker run commands into separate functions. Now the user is notified about the container's idle state and connection details before proceeding. This sets the foundation for future improvements.
@lanzac lanzac marked this pull request as ready for review March 13, 2025 15:42
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lanzac commented Mar 13, 2025

I successfully tested an interactive simulation (2-particles example) with VMD connected to Biospring, using a local debug image built from the source of this branch. The test was performed on two separate machines: one running Biospring on Linux (Debian 12) and the other running VMD (v1.9.4a57-x86-64) on macOS Sequoia 15.

@lanzac lanzac added the enhancement New feature or request label Mar 13, 2025
@lanzac lanzac merged commit 87dedfd into main Mar 13, 2025
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@lanzac lanzac deleted the feature/enhancement/docker-port-standardization branch March 13, 2025 20:48
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3 participants