PanDDA2 1.0.0: new module, uv venv from sha-pinned xchem/PanDDA2

Separate module from PanDDA (different library): self-contained python 3.9
venv (torch==1.13.1 caps at py3.10), torch from the pytorch CPU wheel index,
~1 GB of CNN scoring models pre-fetched at build time because the package dir
is read-only for users under /opt/psi. ccp4/9.0 runtime dep only, for
pandda.inspect / pandda.export.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_0152MuuYUaapP7CtxrDAfvBh

PanDDA2/modulefile

@@ -0,0 +1,16 @@
+#%Module1.0
+
+module-whatis       "PanDDA 2: multi-dataset density analysis for fragment screening (pandda2.analyse)"
+module-url          "https://github.com/xchem/PanDDA2"
+module-license      "Apache-2.0"
+module-maintainer   "Jiaxin Duan <jiaxin.duan@psi.ch>"
+
+module-help         "
+PanDDA 2 (pandda_2_gemmi) in a self-contained python 3.9 venv, CNN scoring
+models pre-downloaded at build time. ccp4/9.0 is auto-loaded as a runtime
+dependency for pandda.inspect / pandda.export.
+Main entry point: pandda2.analyse
+"
+
+setenv          PANDDA2_ENV   $PREFIX/venv
+prepend-path    PATH          $PREFIX/venv/bin