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Added setup/installation instructions for NERSC
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daurer committed Jun 12, 2024
1 parent b556e55 commit b9a4691
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47 changes: 47 additions & 0 deletions scripts/install_ptypy_env_at_nersc.md
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First, clone the nersc conda env

```
conda create --prefix /global/common/software/ntrain7/ptypy_env --clone /global/common/software/nersc/pm-2022q3/sw/python/3.9-anaconda-2021.11
```

Activate the new conda env

```
conda activate /global/common/software/ntrain7/ptypy_env
```

Add additional packages that we need for ptypy with cupy

```
conda install -c conda-forge pyfftw cupy
```

Add additional packages that we need for ptypy with pycuda
```
conda install -c nvidia cuda-nvcc cuda-cudart-dev
conda install -c conda-forge reikna pycuda
```

Add additional packages for cufft
```
conda install -c nvidia libcufft-dev libcufft-static
conda install -c conda-forge cmake>=3.8.0 pybind11
```

Install Ptypy
```
git clone https://github.com/ptycho/ptypy.git
pip install .
```

Install cufft
```
cd cufft
pip install .
```

Add kernel to user settings
```
python -m ipykernel install --user --name ptypy_env --display-name PtyPy
```
10 changes: 10 additions & 0 deletions scripts/ptypy_workhsop_setup.sh
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# Last time we used this script: /global/common/software/ntrain3/ptypy_workshop_setup.sh
# This script should be copied into /global/common/software/ntrain7/
module load conda
conda activate /global/common/software/ntrain7/ptypy_env
#conda activate $HOME/ptypy_env
python -m ipykernel install --user --name ptypy_env --display-name PtyPy

# Clone tutorials and create link to data
git clone https://github.com/ptycho/tutorials.git $HOME/tutorials
ln -s /global/cfs/cdirs/ntrain7/ptypy_workshop $HOME/tutorials/data

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