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Update DEV-GUIDE.md
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mwinokan authored Sep 26, 2024
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Expand Up @@ -70,8 +70,17 @@ To roll out a new version of this:
9. `conda env create -f environment.yaml -p env_xchem_align` - create the new conda environment

NOTE: the repo MUST be tagged before rolling out to users. Step 3 does this and is assumed to be done by the
developers. If you want to roll out a new environment and the repo is not tagged (step 3) then the commands in step 3
must instead be performed after step 5 and before step 6.
developers. If you want to roll out a new environment and the repo is not tagged follow the instructions below

### Rollout if no tag is made yet

1. ssh to Diamond and move into the `/dls/science/groups/i04-1/software/xchem-align` dir
2. `git pull` - update the repo
3. `git tag` - check you have the expected tag
4. Tag the XCA repo and push the tag: `git tag 1.2.3` and `git push origin 1.2.3` (using the appropriate tag number)
5. `rm -rf env_xchem_align` - remove the old conda environment
6. `conda deactivate` - deactivate the current conda env (if necessary)
7. `conda env create -f environment.yaml -p env_xchem_align` - create the new conda environment

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