1. Install Python

Before you begin, ensure you have Python installed. You can download it from the official Python website:

• Go to Python Downloads
• Select 3.12 or less for your operating system. This will enable tensorflow 2.17.0 to work with the environment.
• Run the installer and ensure the "Add Python to PATH" checkbox is checked.
• In your terminal, type "alias python=python3"

If you already have Python downloaded, ensure it is 3.12 or less.

2. Install an IDE (PyCharm or Spyder, any should work though)

PyCharm

• Visit the PyCharm Download Page
• Choose the Community Edition (free) or Professional Edition (paid).
• Download and install based on your operating system.

Spyder

• Install Spyder via Anaconda (recommended for managing dependencies):
  • Install Anaconda from Anaconda's website.
  • Spyder comes pre-installed with Anaconda, but if not, you can install it using the command conda install spyder in the Anaconda Prompt.

3. Clone the GitHub Repository

Option 1: GitHub Desktop (Easy)

• Download and install GitHub Desktop.
• Sign in to your GitHub account.
• Find your repository, click "Clone," and choose your local path.

Option 2: Git Command Line (Advanced)

• Open your terminal (Command Prompt, PowerShell, or any terminal emulator).
• Clone the repository using the following command:

git clone https://github.com/nanoassemblylab/saxs.git

4. Create a Virtual Environment (Recommended)

Using a virtual environment ensures that your project dependencies are isolated from other projects.

In your terminal (inside the project directory), create a virtual environment:

python -m venv venv

This will create a folder named venv containing a clean Python environment.

Activate the virtual environment:

Windows:

venv\Scripts\activate

Mac/Linux:

source venv/bin/activate

5. Install Project Dependencies

Install dependencies using pip: pip install -r requirements.txt

Alternatively, you can manually install them one by one with:

pip install numpy

pip install scikit-learn

pip install scipy

pip install tensorflow

pip install matplotlib

6. Configure the IDE

PyCharm

• Open PyCharm and select Open to load the project directory.
• In PyCharm, go to File > Settings > Project: [Your Project] > Python Interpreter.
• Click the gear icon and select Add.
• Choose Existing environment, and point to the venv folder you created earlier (usually venv/bin/python or venv/Scripts/python.exe).

Spyder

• Open Spyder (if installed via Anaconda, it should launch automatically).
• In Spyder, go to Tools > Preferences > Python Interpreter.
• Select the option Use the following Python interpreter and browse to the python.exe file in your venv directory.
• Restart Spyder to apply the changes.

7. Run the Project

Once the dependencies are installed and the IDE is set up:

• Open your project in the IDE.
• Ensure the virtual environment is activated.
• You can now run the project by executing the main Python script.
  • In PyCharm: Right-click the file > Run 'main.py'.
  • In Spyder: Click the Run button.