From 571871911bbae6c853c66807c607181ff5abc1df Mon Sep 17 00:00:00 2001 From: Tim Lichtenberg Date: Tue, 24 Mar 2026 16:28:36 +0100 Subject: [PATCH] Add FastChem as a standard installation step in docs 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. --- docs/How-to/installation.md | 46 ++++++++++++++++++++++++++++++++----- 1 file changed, 40 insertions(+), 6 deletions(-) diff --git a/docs/How-to/installation.md b/docs/How-to/installation.md index c352241fa..8acde1afe 100644 --- a/docs/How-to/installation.md +++ b/docs/How-to/installation.md @@ -189,7 +189,41 @@ cd ../ Use this `get_agni.sh` script to keep AGNI and its data files up to date. AGNI must be available at `./AGNI/` inside your PROTEUS folder (either a symbolic link or the true location). -## 9. Install submodules as editable +## 9. Install FastChem (equilibrium chemistry solver) + +FastChem is used by AGNI for equilibrium chemistry calculations. It must be compiled from source inside the AGNI directory: + +!!! note + This step requires `cmake` and `make`. Check with: + + ```console + which cmake + which make + ``` + +```console +cd AGNI +bash src/get_fastchem.sh +cd ../ +``` + +The environment variable `FC_DIR` must always point to the FastChem installation path. Add it to your shell config file: + +=== "bash" + + ```console + echo "export FC_DIR=$PWD/AGNI/fastchem/" >> "$HOME/.bashrc" + source "$HOME/.bashrc" + ``` + +=== "zsh" + + ```console + echo "export FC_DIR=$PWD/AGNI/fastchem/" >> "$HOME/.zshrc" + source "$HOME/.zshrc" + ``` + +## 10. Install submodules as editable Clone and install each submodule in editable mode. @@ -259,7 +293,7 @@ bash src/get_zalmoxis.sh cd ../ ``` -## 10. Setup PETSc (numerical computing library) +## 11. Setup PETSc (numerical computing library) !!! warning PETSc requires Python <= 3.12. Make sure your active environment uses a compatible version. @@ -281,25 +315,25 @@ cd ../ The script automatically detects Apple Silicon vs Intel, uses Homebrew's MPI, and applies the necessary compiler/linker workarounds. If you encounter issues, see [Troubleshooting: PETSc on Apple Silicon](troubleshooting.md#petsc-compilation-fails-on-apple-silicon). -## 11. Setup SPIDER (interior evolution model) +## 12. Setup SPIDER (interior evolution model) ```console ./tools/get_spider.sh ``` -## 12. Install PROTEUS framework +## 13. Install PROTEUS framework ```console python -m pip install -e ".[develop]" ``` -## 13. Enable pre-commit hooks +## 14. Enable pre-commit hooks ```console pre-commit install -f ``` -## 14. Done! +## 15. Done! Any remaining dependencies will be downloaded when the model is first run.