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60 changes: 59 additions & 1 deletion docs/getting-started/installation.md
Original file line number Diff line number Diff line change
Expand Up @@ -27,8 +27,25 @@ Create the environment from the checked-in `.yml` file:
conda env create -f requirements/saxshell-py312.yml
```

### Windows users

On native Windows, create the environment from the Windows-specific environment
file:

```cmd
conda env create -f requirements\saxshell-py312-win.yml
```

If the environment already exists, update it from the same file:

```cmd
conda env update -n saxshell-py312 -f requirements\saxshell-py312-win.yml --prune
```

### Linux, macOS, and WSL users

If the environment already exists, update it from the default environment file:

```bash
conda env update -n saxshell-py312 -f requirements/saxshell-py312.yml --prune
```
Expand All @@ -38,12 +55,53 @@ logs and tracebacks remain visible in the terminal.

## Launch SAXSShell

Start the main SAXSShell application from the repository root:
Start the main SAXSShell application from the repository root.

### Linux, macOS, and WSL users

```bash
PYTHONPATH=src conda run --no-capture-output -n saxshell-py312 python -m saxshell.saxs
```

### Windows users

There are two supported launch methods depending on whether you are using
Anaconda Prompt or Windows PowerShell.

#### From Anaconda Prompt

Activate the environment, set `PYTHONPATH`, and launch the SAXS UI:

```cmd
conda activate saxshell-py312
set PYTHONPATH=src
python -m saxshell.saxs
```

You can also launch without activating the environment:

```cmd
set PYTHONPATH=src
conda run --no-capture-output -n saxshell-py312 python -m saxshell.saxs
```

#### From Windows PowerShell

Set `PYTHONPATH` using PowerShell syntax, then launch through `conda run`:

```powershell
$env:PYTHONPATH = "src"
conda run --no-capture-output -n saxshell-py312 python -m saxshell.saxs
```

If your PowerShell session is configured for conda activation, this also works:

```powershell
conda activate saxshell-py312
$env:PYTHONPATH = "src"
python -m saxshell.saxs
```

The application opens to the main SAXS workflow. Create or select a dedicated
project folder in **Project Setup** after your trajectory-derived frames and
clusters are ready.
Expand Down
47 changes: 47 additions & 0 deletions requirements/saxshell-py312-win.yml
Original file line number Diff line number Diff line change
@@ -0,0 +1,47 @@
name: saxshell-py312
channels:
- conda-forge
- defaults
channel_priority: strict
dependencies:
# Core runtime
- python=3.12
- pip
- numpy
- scipy
- pandas
- matplotlib
- lmfit
- uncertainties
- networkx
- pyyaml
- requests

# Data / file formats / parallel workflow support
- xarray
- dask
- distributed
- netcdf4
- h5py
- pyarrow
- bottleneck

# Qt GUI stack for Windows
- pyside6
- qtpy
- pyqtgraph

# Interactive/dev tooling
- ipython
- ipykernel
- jupyterlab
- pytest
- pytest-cov
- coverage
- pre-commit
- mypy

# Pip-only / project-specific packages
- pip:
- pydream
- xraydb>=4.5.8