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Handling running a flowchart in Docker, the JobServer in Docker, and running without Docker. #9

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merged 3 commits into from
Mar 9, 2024

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paulsaxe
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@paulsaxe paulsaxe commented Mar 9, 2024

Description

Adding support for all three ways of running currently supported:

  1. Within a Conda environment (the original approach)
  2. Running a flowchart in a Docker container, with the working directory mounted as /home
  3. Running from the JobServer within a Docker container, with ~/SEAMM mounted as /root/SEAMM in the container

Status

  • Ready to go. However, cannot fully test until this is merged and containers are created.

@paulsaxe paulsaxe added the bug Something isn't working label Mar 9, 2024
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codecov bot commented Mar 9, 2024

Codecov Report

Merging #9 (846431b) into main (98a300a) will decrease coverage by 0.05%.
Report is 1 commits behind head on main.
The diff coverage is 0.00%.

Additional details and impacted files

@paulsaxe paulsaxe merged commit 62e772f into molssi-seamm:main Mar 9, 2024
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