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

This reverts commit f6c2f5a650.

careless/README.md

@@ -11,10 +11,14 @@ inference (variational merging), built on TensorFlow.
 Upstream recommends a fresh conda env, but repo.anaconda.com is not
 reachable from Ra, so the build uses uv instead: it fetches a standalone
 Python 3.12 into `$PREFIX/python` (upstream supports >=3.9,<3.13), creates
-`$PREFIX/venv`, and runs `uv pip install careless[cuda]==<version>` into
-it. The `[cuda]` extra ships the NVIDIA libraries (CUDA, cuDNN, ...) as
-pip wheels, so the one install uses the GPU on GPU nodes (only the node's
-NVIDIA driver is needed — no cuda module) and falls back to CPU elsewhere.
+`$PREFIX/venv`, and runs `uv pip install careless==<version>` into it.
+This is the CPU build; the GPU build (with the `[cuda]` extra and the
+cluster `cuda/12.8.1` module) is the separate `careless-gpu` module.
+
+To share one uv download cache between the careless and careless-gpu
+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.
 
 `uv` must be on PATH on the build host (e.g. `pip install --user uv`).
 

careless/build

@@ -9,8 +9,9 @@ pbuild::configure() {
     # uv fetches a standalone CPython instead; keep it inside PREFIX so the
     # venv's interpreter symlinks don't depend on the builder's home cache.
     UV="${UV:-$HOME/.local/bin/uv}"
-    # ~/.cache/uv hits the home disk quota; default the cache into PREFIX
-    # (overridable: UV_CACHE_DIR=<path> modbuild build <version>)
+    # ~/.cache/uv hits the home disk quota; default the cache into PREFIX.
+    # Overridable so careless and careless-gpu can share one cache:
+    #   UV_CACHE_DIR=<shared path> modbuild build <version>
     export UV_CACHE_DIR="${UV_CACHE_DIR:-$PREFIX/.uv-cache}"
     export UV_PYTHON_INSTALL_DIR="$PREFIX/python"
     "$UV" venv --python 3.12 "$PREFIX/venv"
@@ -23,9 +24,8 @@ pbuild::compile() {
 pbuild::install() {
     UV="${UV:-$HOME/.local/bin/uv}"
     export UV_CACHE_DIR="${UV_CACHE_DIR:-$PREFIX/.uv-cache}"
-    # [cuda] extra ships the NVIDIA stack (CUDA, cuDNN, ...) as pip wheels:
-    # uses the GPU when present (needs only the node driver), else falls back to CPU
-    "$UV" pip install --python "$PREFIX/venv/bin/python" "careless[cuda]==${V_PKG}"
+    # CPU version; the GPU build with the [cuda] extra is the careless-gpu module
+    "$UV" pip install --python "$PREFIX/venv/bin/python" "careless==${V_PKG}"
     # only auto-remove the cache if it lives inside this PREFIX (never a shared one)
     [[ "$UV_CACHE_DIR" == "$PREFIX"* ]] && rm -rf "$UV_CACHE_DIR" || :
 }

careless/modulefile

@@ -7,9 +7,8 @@ module-maintainer   "MX Data <jiaxin.duan@psi.ch>"
 
 module-help     "
 careless: scaling and merging of X-ray diffraction data using
-approximate Bayesian inference (TensorFlow). Installed with the
-[cuda] extra: uses NVIDIA GPUs when present (no cuda module
-needed), falls back to CPU otherwise.
+approximate Bayesian inference (TensorFlow). CPU build; for
+NVIDIA GPU nodes load careless-gpu instead.
 "
 
 setenv          CARELESS_ENV    $PREFIX/venv