Revert "Drop careless-gpu: the [cuda] pip extra install covers GPU and CPU nodes"

This reverts commit f6c2f5a650.

careless-gpu/README.md

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+# careless-gpu
+
+GPU build of careless (see `../careless/` for the CPU module and the full
+background). Scaling and merging of X-ray diffraction data with approximate
+Bayesian inference (variational merging), built on TensorFlow.
+
+- Upstream: https://github.com/rs-station/careless
+- License: MIT
+
+## How it differs from the careless module
+
+- CUDA is not pip-installed (no `[cuda]` extra, saves several GB): the
+  cluster `cuda/12.8.1` module provides it instead, declared as
+  `build_requires`/`runtime_deps` (same pattern as `jfjoch_viewer`).
+  `runtime_deps` matters because TensorFlow dlopens the CUDA libraries
+  when careless runs, so cuda must auto-load with this module.
+- If careless reports missing cuDNN at runtime, the cuda module does not
+  ship it; the fallback is installing `careless[cuda]` in `build` instead.
+
+The venv layout, uv usage, and cache handling are identical to `careless`.
+To share one download cache between both builds, run each with
+`UV_CACHE_DIR=<shared path> modbuild build <version>` — a cache outside
+PREFIX is kept, an in-PREFIX cache is removed after a successful install.
+
+## Adding a new version
+
+Add the version under `versions:` in `files/config.yaml`, then on a Ra
+login node: `modbuild build <version>` (modbuild/2.1.2).

careless-gpu/build

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+#!/usr/bin/env modbuild
+
+pbuild::prep() {
+    :
+}
+
+pbuild::configure() {
+    # same uv pattern as the careless (CPU) module; see that build for the whys
+    UV="${UV:-$HOME/.local/bin/uv}"
+    export UV_CACHE_DIR="${UV_CACHE_DIR:-$PREFIX/.uv-cache}"
+    export UV_PYTHON_INSTALL_DIR="$PREFIX/python"
+    "$UV" venv --python 3.12 "$PREFIX/venv"
+}
+
+pbuild::compile() {
+    :
+}
+
+pbuild::install() {
+    UV="${UV:-$HOME/.local/bin/uv}"
+    export UV_CACHE_DIR="${UV_CACHE_DIR:-$PREFIX/.uv-cache}"
+    # no [cuda] extra: CUDA comes from the cuda/12.8.1 module
+    # (build_requires/runtime_deps in files/config.yaml), not from pip wheels
+    "$UV" pip install --python "$PREFIX/venv/bin/python" "careless==${V_PKG}"
+    [[ "$UV_CACHE_DIR" == "$PREFIX"* ]] && rm -rf "$UV_CACHE_DIR" || :
+}

careless-gpu/files/config.yaml

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+---
+format: 1
+careless-gpu:
+  defaults:
+    group: MX
+    overlay: base
+    relstage: unstable
+  versions:
+    0.5.4:
+      config:
+        relstage: unstable
+        build_requires: ["cuda/12.8.1"]
+        runtime_deps: ["cuda/12.8.1"]

careless-gpu/modulefile

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+#%Module1.0
+
+module-whatis       "careless (GPU) - merging crystallography data with variational inference"
+module-url          "https://github.com/rs-station/careless"
+module-license      "MIT"
+module-maintainer   "MX Data <jiaxin.duan@psi.ch>"
+
+module-help     "
+careless: scaling and merging of X-ray diffraction data using
+approximate Bayesian inference (TensorFlow). GPU build: CUDA is
+provided by the cuda/12.8.1 module, auto-loaded as a runtime dep.
+Use on nodes with an NVIDIA GPU; for CPU nodes load careless instead.
+"
+
+setenv          CARELESS_ENV    $PREFIX/venv
+prepend-path    PATH            $PREFIX/venv/bin