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Add FastChem installation step to docs#662

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timlichtenberg merged 1 commit intomainfrom
tl/docs-add-fastchem-install
Mar 24, 2026
Merged

Add FastChem installation step to docs#662
timlichtenberg merged 1 commit intomainfrom
tl/docs-add-fastchem-install

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@timlichtenberg
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@timlichtenberg timlichtenberg commented Mar 24, 2026

Description

Add get_fastchem.sh as a standard installation step (step 9) in the developer installation guide. FastChem is used by AGNI for equilibrium chemistry calculations and was previously missing from the docs.

Changes:

  • New step 9 after AGNI installation with cmake/make prerequisites, build commands, and FC_DIR environment variable setup (bash/zsh tabs)
  • Renumber subsequent steps (9-14 become 10-15)

Tested locally on macOS (Intel, Sequoia) and confirmed FastChem compiles successfully.

Validation of changes

Ran bash src/get_fastchem.sh inside the AGNI directory on macOS. Build completed successfully, binary produced at expected path. Served docs locally with zensical serve and verified rendering.

Test configuration: macOS Sequoia (Intel) with cmake 4.3.0, AppleClang 17.0.0.

Checklist

  • I have followed the contributing guidelines
  • My code follows the style guidelines of this project
  • I have performed a self-review of my code
  • My changes generate no new warnings or errors
  • I have checked that the tests still pass on my computer
  • I have updated the docs, as appropriate
  • I have added tests for these changes, as appropriate
  • I have checked that all dependencies have been updated, as required

Relevant people

@nichollsh @ipanagiotou02 @IKisvardai

FastChem (equilibrium chemistry solver used by AGNI) was missing from
the installation guide. Add it as step 9 after AGNI, with cmake/make
prerequisites, build instructions, and FC_DIR environment variable
setup. Renumber subsequent steps accordingly.
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Pull request overview

Updates the developer installation guide to include FastChem (required by AGNI for equilibrium chemistry) as an explicit, standard install step so new developer setups don’t miss this dependency.

Changes:

  • Adds a new “Install FastChem” step with prerequisites (cmake, make), build command, and FC_DIR environment variable setup for bash/zsh.
  • Renumbers subsequent developer installation steps to accommodate the new step.

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codecov bot commented Mar 24, 2026

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 69.15%. Comparing base (e637066) to head (5718719).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #662      +/-   ##
==========================================
+ Coverage   69.12%   69.15%   +0.02%     
==========================================
  Files          98       98              
  Lines       10123    10123              
  Branches     1401     1401              
==========================================
+ Hits         6998     7001       +3     
+ Misses       2791     2788       -3     
  Partials      334      334              
Flag Coverage Δ
unit-tests 56.34% <ø> (+0.03%) ⬆️

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Looks good! Are we missing any other critical installation steps?

@timlichtenberg timlichtenberg merged commit 4b47696 into main Mar 24, 2026
14 checks passed
@timlichtenberg timlichtenberg deleted the tl/docs-add-fastchem-install branch March 24, 2026 19:40
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3 participants