ZimmermanGroup/py-conformational-sampling

configure dev containers

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  • check for updates in prefix discord about using pixi in a devcontainer
  • Try using setup-pixi in a github action (the short python 3.11 action)
  • Try using pixi in a dev container
  • automatically enable vscode extensions
  • I could try out a DOCKERFILE instead of just a devcontainer.json because that might be more transferable learning to running containers in an application HPC setting
  • automatically add pytest tmp directory to vscode workspace when connecting to dev container
  • look into DevPod