enviPy-bayer/README.md

# enviPy

## Local Development Setup

These instructions will guide you through setting up the project for local development.

### Prerequisites

- Python 3.11 or later
- [uv](https://github.com/astral-sh/uv) - A fast Python package installer and resolver.
- **Docker and Docker Compose** - Required for running the PostgreSQL database.
- Git

> **Note:** This application requires PostgreSQL, which uses `ArrayField`. Docker is the recommended way to run PostgreSQL locally.

### 1. Install Dependencies

This project uses `uv` to manage dependencies and `poe-the-poet` for task running. First, [install `uv` if you don't have it yet](https://docs.astral.sh/uv/guides/install-python/).

Then, sync the project dependencies. This will create a virtual environment in `.venv` and install all necessary packages, including `poe-the-poet`.

```bash
uv sync --dev
```

> **Note on RDkit:** If you have a different version of rdkit installed globally, the dependency installation may fail. If this happens, please uninstall the global version and run `uv sync` again.

### 2. Set Up Environment File

Copy the example environment file for local setup:

```bash
cp .env.local.example .env
```

This file contains the necessary environment variables for local development.

### 3. Quick Setup with Poe

The easiest way to set up the development environment is by using the `poe` task runner, which is executed via `uv run`.

```bash
uv run poe setup
```

This single command will:
1. Start the PostgreSQL database using Docker Compose.
2. Run database migrations.
3. Bootstrap initial data (anonymous user, default packages, models).

After setup, start the development server:

```bash
uv run poe dev
```

The application will be available at `http://localhost:8000`.

#### Other useful Poe commands:

You can list all available commands by running `uv run poe --help`.

```bash
uv run poe db-up         # Start PostgreSQL only
uv run poe db-down       # Stop PostgreSQL
uv run poe migrate       # Run migrations only
uv run poe bootstrap     # Bootstrap data only
uv run poe shell         # Open the Django shell
uv run poe clean         # Remove database volumes (WARNING: destroys all data)
```

### Troubleshooting

*   **Docker Connection Error:** If you see an error like `open //./pipe/dockerDesktopLinuxEngine: The system cannot find the file specified` (on Windows), it likely means your Docker Desktop application is not running. Please start Docker Desktop and try the command again.

*   **SSH Keys for Git Dependencies:** Some dependencies are installed from private git repositories and require SSH authentication. Ensure your SSH keys are configured correctly for Git.
    *   For a general guide, see [GitHub's official documentation](https://docs.github.com/en/authentication/connecting-to-github-with-ssh/generating-a-new-ssh-key-and-adding-it-to-the-ssh-agent).
    *   **Windows Users:** If `uv sync` hangs while fetching git dependencies, you may need to explicitly configure Git to use the Windows OpenSSH client and use the `ssh-agent` to manage your key's passphrase.

        1.  **Point Git to the correct SSH executable:**
            ```powershell
            git config --global core.sshCommand "C:/Windows/System32/OpenSSH/ssh.exe"
            ```
        2.  **Enable and use the SSH agent:**
            ```powershell
            # Run these commands in an administrator PowerShell
            Get-Service ssh-agent | Set-Service -StartupType Automatic -PassThru | Start-Service

            # Add your key to the agent. It will prompt for the passphrase once.
            ssh-add
            ```