Manual Virtual Environment Setup Tutorial

If the create_cissvae_env() helper function fails or you prefer to set up your environment manually, you can create a Python virtual environment using either R (via reticulate) or the command line.

Prerequisites

Before starting, ensure you have:

Python 3.10 or 3.11 installed on your system
R with the reticulate package installed

install.packages("reticulate")

You can check your Python version by running the following from your terminal:

python --version
# or
python3 --version

Method 1: Creating Virtual Environment with R (reticulate)

Step 1: Install reticulate (if not already installed)

install.packages("reticulate")
library(reticulate)

Step 2: Check available Python versions

# Find Python installations on your system
reticulate::py_discover_config()

# Or check for a specific version
reticulate::virtualenv_starter("3.10")

Installing Python via reticulate (if needed)

If no suitable Python version is found, you can install Python directly through reticulate:

# Install Python 3.10 (recommended)
reticulate::install_python(version = "3.10")

# Or install Python 3.11
reticulate::install_python(version = "3.11")

# Check available versions after installation
reticulate::py_versions()

# Verify the installation worked
reticulate::virtualenv_starter("3.10")

Note: reticulate::install_python() will:

Download and install a standalone Python version managed by reticulate
Install it to a location that doesn’t interfere with system Python
Work across Windows, macOS, and Linux
Automatically configure the PATH for reticulate to find it

If the installation fails or you prefer more control, you can also install Python manually:

Windows: Download from python.org and check “Add Python to PATH”
macOS: Use Homebrew (brew install python@3.10) or download from python.org
Linux: Use your package manager (sudo apt install python3.10 on Ubuntu)

After manual installation, restart R and rerun reticulate::py_discover_config() to verify reticulate can find the new Python installation.

Step 3: Create the virtual environment

Once you’ve identified the python installation you want to use, you can use the reticulate package to create your virtual environment either in the default location (~/.virtualenvs/) or in a directory of your choice.

# Create virtual environment in default location (~/.virtualenvs/)
reticulate::virtualenv_create(
  envname = "cissvae_env",
  python = NULL,  # Use system default Python
  packages = c("pip", "setuptools", "wheel")
)

# Alternative: Create in a specific directory
reticulate::virtualenv_create(
  envname = "./my_venvs/cissvae_env",  # Relative path
  python = "/usr/bin/python3.10",     # Specific Python version
  packages = c("pip", "setuptools", "wheel")
)

Step 4: Activate the environment

In order to use your virtual environment, you have to tell reticulate to activate and use it with the command below. You will repeat this command in each new R session that you want to use the virtual environment in.

# Activate environment (default location)
reticulate::use_virtualenv("cissvae_env", required = TRUE)

# Or activate from specific path
reticulate::use_virtualenv("./my_venvs/cissvae_env", required = TRUE)

Step 5: Install required packages

Before using the virtual environment for the first time, install the necessary dependencies and the ciss-vae python package to the environment. This only needs to be done once per environment (unless you want to update the packages later).

# Install core dependencies first
reticulate::virtualenv_install(
  envname = "cissvae_env",
  packages = c(
    "numpy",
    "pandas", 
    "torch",
    "scikit-learn",
    "optuna",
    "rich",
    "matplotlib",
    "leiden-alg",
    "python-igraph"
  )
)

# Install CISS-VAE from PyPI
reticulate::virtualenv_install(
  envname = "cissvae_env",
  packages = "ciss-vae"
)

Step 6: Verify installation

After installing the packages, you can use the following commands to make sure the ciss_vae package installed correctly.

# Check if CISS-VAE installed correctly
reticulate::py_run_string("import ciss_vae; print('CISS-VAE version:', ciss_vae.__version__)")

# List all installed packages
reticulate::virtualenv_install(envname = "cissvae_env", packages = character(0))

Method 2: Creating Virtual Environment from Command Line

Step 1: Open terminal/command prompt

Navigate to your desired directory:

cd /path/to/your/project

Step 2: Create virtual environment

Please note, python must be installed for this to work.

# Using venv (Python 3.3+)
python -m venv cissvae_env

# Or using python3 explicitly
python3 -m venv cissvae_env

# For specific Python version
python3.10 -m venv cissvae_env

Step 3: Activate the environment

On Windows:

On Windows OS, the command to activate the environment differs based on the terminal you are using.

# Command Prompt
cissvae_env\Scripts\activate

# PowerShell
cissvae_env\Scripts\Activate.ps1

# Git Bash
source cissvae_env/Scripts/activate

On macOS/Linux:

source cissvae_env/bin/activate

You should see (cissvae_env) at the beginning of your prompt when activated.

Step 4: Upgrade pip and install packages

# Upgrade pip first (optional)
pip install --upgrade pip setuptools wheel

# Install core scientific packages
pip install numpy pandas matplotlib scikit-learn

# Install machine learning frameworks
pip install torch optuna rich hdbscan

# Install CISS-VAE
pip install ciss-vae

Step 5: Verify installation

# Check Python version in environment
python --version

# List installed packages
pip list

# Test CISS-VAE import
python -c "import ciss_vae; print('CISS-VAE installed successfully!')"

Step 6: Connect R to your environment

After creating the environment via command line, tell R where to find it:

library(reticulate)

# Point to your manually created environment
reticulate::use_virtualenv("/path/to/your/project/cissvae_env", required = TRUE)

# On Windows, the path might look like:
# reticulate::use_virtualenv("C:/Users/YourName/project/cissvae_env", required = TRUE)

# Verify connection
reticulate::py_config()

Alternative: Using Conda Environment

If you prefer conda over venv:

Command Line Approach:

# Create conda environment
conda create -n cissvae_env python=3.10

# Activate environment
conda activate cissvae_env

# Install packages
conda install numpy pandas matplotlib scikit-learn
pip install torch optuna rich hdbscan ciss-vae

R Approach:

# Create conda environment from R
reticulate::conda_create(
  envname = "cissvae_env",
  python_version = "3.10",
  packages = c("numpy", "pandas", "matplotlib", "scikit-learn")
)

# Activate and install additional packages
reticulate::use_condaenv("cissvae_env", required = TRUE)
reticulate::conda_install("cissvae_env", c("torch", "optuna", "rich", "hdbscan", "ciss-vae"))

Troubleshooting Common Issues

Issue 1: “Python not found”

Solution: Ensure Python is in your system PATH, or specify the full path:

reticulate::virtualenv_create(
  envname = "cissvae_env",
  python = "/usr/local/bin/python3.10"  # Full path to Python
)

Issue 2: “Permission denied” errors

Solution:

On Windows: Run R/RStudio as Administrator
On macOS/Linux: Check directory permissions or use a different location

Issue 3: Package installation fails

Solution: Install packages one by one to identify the problematic package:

packages <- c("numpy", "pandas", "torch", "ciss-vae")
for (pkg in packages) {
  cat("Installing", pkg, "...\n")
  reticulate::virtualenv_install("cissvae_env", pkg)
}

Issue 4: CISS-VAE import fails in R

Solution: Verify the environment is properly activated:

# Check Python configuration
reticulate::py_config()

# Test import manually
reticulate::py_run_string("
try:
    import ciss_vae
    print('Success: ciss_vae imported')
    print('Version:', ciss_vae.__version__)
except ImportError as e:
    print('Error importing ciss_vae:', e)
")

Issue 5: Environment not persisting between R sessions

Solution: Always activate your environment at the start of each R session:

# Add this to the top of your R scripts
library(reticulate)
reticulate::use_virtualenv("cissvae_env", required = TRUE)

# Or add to your .Rprofile for automatic loading
cat('reticulate::use_virtualenv("cissvae_env", required = TRUE)\n', 
    file = "~/.Rprofile", append = TRUE)