ReactionMechanismGenerator / ReactionMechanismGenerator/T3

Splitting the environement file depending whether rmgpy is installed or not

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

Description

RMG-Py can be installed as a conda package or as a git repo clone.
We should have two environment files to reflect that, or if possible, automatically determine whether the user needs thermgpy conda package or not.

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First steps

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  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

No specific files or tests are named in the issue. Start by locating the existing conda environment file and the setup paths for an RMG-Py clone versus the installed package; done means both installation modes receive an appropriate environment without requiring the wrong rmgpy dependency.

Written by the indexing model from the issue text.

Assessment

Tech stack
anaconda, python
Domain
build-system, developer-experience
Issue type
Feature
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
28/100

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