Installation

These instructions assume Python 3.12+, pip, and virtual environment support are already installed. If you are new to Python or the command line, start with the step-by-step guide for macOS and Linux or Windows at the bottom of this page.

From PyPI

python -m pip install trspecfit

For Included Example Notebooks

python -m pip install "trspecfit[lab]"

From GitHub

python -m pip install git+https://github.com/InfinityMonkeyAtWork/time-resolved-spectroscopy-fit.git

For Development

git clone https://github.com/InfinityMonkeyAtWork/time-resolved-spectroscopy-fit.git
cd time-resolved-spectroscopy-fit
pip install -e ".[dev]"

Step-by-step for macOS and Linux

This walkthrough assumes you have none of the tools installed yet. It uses VS Code as the editor.

1. Install Python. Go to python.org/downloads and download the latest Python 3.12+ installer for macOS (or use your Linux distro’s package manager, e.g. sudo apt install python3 python3-venv on Debian/Ubuntu). Run the installer and accept the defaults. Then open Terminal and check your Python version with python3 --version. Make sure it reports 3.12 or newer before continuing.

2. Install Git. On macOS, open Terminal (Cmd+Space, type “Terminal”) and run git --version — macOS will offer to install the Xcode Command Line Tools, which include Git. On Linux, run sudo apt install git (or the equivalent for your distro).

3. Install VS Code. Go to code.visualstudio.com, download the installer for your OS, and run it.

4. Clone the repository. Open Terminal, navigate to the folder where you want to keep the project (e.g. cd ~/Documents), and run:

git clone https://github.com/InfinityMonkeyAtWork/time-resolved-spectroscopy-fit.git
cd time-resolved-spectroscopy-fit

5. Open the project in VS Code. From inside the project folder, run:

code .

If the code command is not found, open VS Code the normal way (from your Applications folder) and use File → Open Folder… to select the time-resolved-spectroscopy-fit folder.

6. Open the integrated terminal. Inside VS Code, press Cmd+` (Command + backtick) to open a terminal at the project root.

7. Create and activate a virtual environment, then install the package.

python3 -m venv .venv
source .venv/bin/activate
pip install ".[lab]"

You should see (.venv) at the start of your prompt once activated.

8. Open an example notebook. Press Cmd+Shift+E to open the file explorer sidebar. Expand examples/fitting_workflows/, pick the first notebook (01_basic_fitting), and open it. When VS Code asks which kernel to use, select the .venv interpreter.

Step-by-step for Windows

This walkthrough assumes you have none of the tools installed yet. It uses VS Code as the editor.

1. Install Python. Go to python.org/downloads and download the latest Python 3.12+ Windows installer. Important: on the first installer screen, tick the box labeled “Add python.exe to PATH” before clicking Install Now. This is the one non-default step you must take. After installation, open PowerShell and run python --version. Make sure it reports 3.12 or newer before continuing.

2. Install Git. Go to git-scm.com/download/win, download the installer, and run it. The defaults are fine.

3. Install VS Code. Go to code.visualstudio.com, download the Windows installer (.exe), and run it.

4. Clone the repository. Open PowerShell (press the Windows key, type “PowerShell”, hit Enter), navigate to the folder where you want to keep the project (e.g. cd $HOME\Documents), and run:

git clone https://github.com/InfinityMonkeyAtWork/time-resolved-spectroscopy-fit.git
cd time-resolved-spectroscopy-fit

5. Open the project in VS Code. From inside the project folder, run:

code .

If the code command is not found, open VS Code the normal way (from the Start menu) and use File → Open Folder… to select the time-resolved-spectroscopy-fit folder.

6. Open the integrated terminal. Inside VS Code, press Ctrl+` (Control + backtick) to open a PowerShell terminal at the project root.

7. Create and activate a virtual environment, then install the package.

python -m venv .venv
.venv\Scripts\Activate.ps1
pip install ".[lab]"

You should see (.venv) at the start of your prompt once activated. If PowerShell blocks the activation script with an execution-policy error, run Set-ExecutionPolicy -Scope CurrentUser -ExecutionPolicy RemoteSigned once and try again.

8. Open an example notebook. Press Ctrl+Shift+E to open the file explorer sidebar. Expand examples/fitting_workflows/, pick the first notebook (01_basic_fitting), and open it. When VS Code asks which kernel to use, select the .venv interpreter.