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Add source-related files for Samui 1.0.0-next.49
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Nick-Eagles committed Mar 20, 2024
1 parent 1ba7372 commit 385c982
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1 change: 1 addition & 0 deletions samui/1.0.0-next.49/.gitignore
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samui*
66 changes: 66 additions & 0 deletions samui/1.0.0-next.49/README.md
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# Installation

```bash
## Commands used for installing the software

# Make sure not to rely on user packages
export PYTHONNOUSERSITE="some_value"

# Pull Samui v1.0.0-next.49
wget https://github.com/chaichontat/samui/archive/refs/tags/v1.0.0-next.49.tar.gz
tar -xzf v1.0.0-next.49.tar.gz
rm v1.0.0-next.49.tar.gz
mv samui-1.0.0-next.49 samui

# Use mamba, which will be faster
module load conda/3-23.3.1
conda create -n mamba_env -c conda-forge mamba
conda activate mamba_env

# Create a conda environment with the recommended dependencies
mamba env create -p samui_env -f samui/environment.yml

# Add a couple python packages
conda activate ./samui_env
pip install pyhere session_info openpyxl lxml pypng
conda deactivate

## Ignore all downloaded/installed files
echo "samui*" > .gitignore

# Set open permissions, except don't allow writing that could corrupt the
# conda environment for everyone
chmod 775 -R samui README.md .gitignore .
chmod 555 -R samui_env

## Version control files
git add .gitignore
git add README.md
```

# Reproducibility

```bash
## Evaluate the following commands
module list
date
echo "User: ${USER}"
echo "Hostname: ${HOSTNAME}"
```

```bash
## copy paste the output from the previous commands
$ module list

Currently Loaded Modules:
1) JHPCE_ROCKY9_DEFAULT_ENV 2) JHPCE_tools/3.0 3) conda/3-23.3.1



$ date
Wed Mar 20 10:44:53 AM EDT 2024
$ echo "User: ${USER}"
User: neagles
$ echo "Hostname: ${HOSTNAME}"
Hostname: compute-105.cm.cluster
```

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