ReactionMechanismGenerator / ReactionMechanismGenerator/T3

Pulling the latest RMS with adjoint SA

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Type: Feature
Dominant language
Python
Stars
14
Forks
7
Avg merge
22h 36m
Merged PRs (30d)
22

Description

The current workflow for creating the t3_env on the abc_sa branch is to pull RMS from @mjohnson541 conda channel because at the time the original abc_sa PR was made, v0.3.0 was not merged into RMS master branch. From our discussion yesterday, we think that removing - mjohnson541 from environment.yml will pull the latest version of RMS, which would also mean we could remove lines 16-21 from devtools/install_pyrms.sh and also remove devtools/install_RMS_v030.jl. I'm documenting this here for future reference once we merge in the abc_sa branch.

Contributor guide

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start by checking environment.yml and confirming that RMS v0.3.0 is available from the current channel after the abc_sa branch is merged. Review lines 16-21 of devtools/install_pyrms.sh and devtools/install_RMS_v030.jl, then verify that creating the t3_env succeeds without the channel pin or legacy installer.

Written by the indexing model from the issue text.

Assessment

Tech stack
julia, python
Domain
build-system, tooling
Issue type
Refactor
Difficulty
2/5
Estimated time
1-3 hours
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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