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README update, added Ubuntu 24.04 and ARM64 installation instructions #1

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19 changes: 19 additions & 0 deletions README.md
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Expand Up @@ -31,6 +31,25 @@ This program is based on Python 3 under Anaconda.
python PNcsp.py <formula> -n <neighbor_order> -f <energy_filter> -c <calculator>
```

#### Special Instructions for Ubuntu 24.04 and ARM64 (aarch64)
Ubuntu 24.04 ships with Python 3.12 by default, which is currently incompatible with the required TensorFlow version. Furthermore, ARM64 architectures require Python development headers to compile specific dependencies (like `matscipy`) from source.
To set up a compatible environment using Python 3.11

```bash
sudo apt install software-properties-common
sudo add-apt-repository ppa:deadsnakes/ppa
sudo apt update

sudo apt install python3.11 python3.11-venv python3.11-dev

python3.11 -m venv venv
source venv/bin/activate

pip3 install --upgrade pip
pip3 install -r requirements.txt
```


- `-n`, `--neighbor`
Order of neighbors to be considered in the similarity search.
**Default:** `1`.
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