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Simplify installation steps in the readme
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Eszter Varga-Umbrich authored and Eszter Varga-Umbrich committed Jul 15, 2024
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Expand Up @@ -53,9 +53,9 @@ A partial documentation is available at: https://mace-docs.readthedocs.io
### 1. Requirements:

- Python >= 3.7 (for openMM, use Python = 3.9)
- [PyTorch](https://pytorch.org/) >= 1.12 **(training with float64 is not supported with PyTorch 2.1 but is supported with 2.2 and later.)**.
- [PyTorch](https://pytorch.org/) >= 1.12 **(training with float64 is not supported with PyTorch 2.1 but is supported with 2.2 and later)**

**Make sure to install PyTorch.** Please refer to the [official PyTorch installation](https://pytorch.org/get-started/locally/) for the installation instructions. Select the appropriate options for your system. For GPU installation, make sure to select pip + the appropriate CUDA version for your system. For recent GPUs, the latest cuda version is usually the best choice.
**Make sure to install PyTorch.** Please refer to the [official PyTorch installation](https://pytorch.org/get-started/locally/) for the installation instructions. Select the appropriate options for your system.

### 2a. Installation from PyPI
This is the recommended way to install MACE.
Expand All @@ -71,7 +71,6 @@ pip install mace-torch


```sh
# Clone and install MACE (and all required packages)
git clone https://github.com/ACEsuit/mace.git
pip install ./mace
```
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