diff --git a/docs/getting-started/installation.md b/docs/getting-started/installation.md index 790bca1..79996e9 100644 --- a/docs/getting-started/installation.md +++ b/docs/getting-started/installation.md @@ -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 ``` @@ -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. diff --git a/requirements/saxshell-py312-win.yml b/requirements/saxshell-py312-win.yml new file mode 100644 index 0000000..eb8c66d --- /dev/null +++ b/requirements/saxshell-py312-win.yml @@ -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