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@@ -44,24 +44,24 @@ pip install git+https://github.com/microsoft/mattersim.git | |
### Install from source code | ||
1. Download the source code of MatterSim and change to the directory | ||
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```bash | ||
git clone [email protected]:microsoft/mattersim.git | ||
cd mattersim | ||
``` | ||
```bash | ||
git clone [email protected]:microsoft/mattersim.git | ||
cd mattersim | ||
``` | ||
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2. Install MatterSim | ||
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> [!WARNING] | ||
> We strongly recommend that users install MatterSim using [mamba or micromamba](https://mamba.readthedocs.io/en/latest/index.html), because *conda* can be significantly slower when resolving the dependencies in environment.yaml. | ||
> [!WARNING] | ||
> We strongly recommend that users install MatterSim using [mamba or micromamba](https://mamba.readthedocs.io/en/latest/index.html), because *conda* can be significantly slower when resolving the dependencies in environment.yaml. | ||
To install the package, run the following command under the root of the folder: | ||
To install the package, run the following command under the root of the folder: | ||
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```bash | ||
mamba env create -f environment.yaml | ||
mamba activate mattersim | ||
pip install -e . | ||
python setup.py build_ext --inplace | ||
``` | ||
```bash | ||
mamba env create -f environment.yaml | ||
mamba activate mattersim | ||
pip install -e . | ||
python setup.py build_ext --inplace | ||
``` | ||
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## Usage | ||
### A minimal test | ||
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