oxDNA installs extra python packages in Python installdir

[smoors]

see #18175
cc @migueldiascosta

in generoso, the packages below were installed.
in my test the installdir was not writable, those packages were installed in my ~/.local/lib
the culprit is probably -DOxpySystemInstall=ON in the oxDNA easyconfig:

>···if(OxpySystemInstall)
>···>···INSTALL(CODE "execute_process(COMMAND ${PYTHON_EXECUTABLE} -m pip install ${OXPY_OUTPUT_DIR})")
>···else()
>···>···INSTALL(CODE "execute_process(COMMAND ${PYTHON_EXECUTABLE} -m pip install --user ${OXPY_OUTPUT_DIR})")
>···endif()

[smoors@login1 ~]$ ls -hltr /project/boegelbot/Rocky8/haswell/software/Python/3.10.4-GCCcore-11.3.0/lib/python3.10/site-packages/|grep "Jun 23"
drwxrwxr-x.  2 boegelbot boegelbot 4.0K Jun 23 04:38 Pillow.libs
drwxrwxr-x.  3 boegelbot boegelbot 4.0K Jun 23 04:38 PIL
drwxrwxr-x.  2 boegelbot boegelbot  150 Jun 23 04:38 Pillow-9.5.0.dist-info
drwxrwxr-x.  3 boegelbot boegelbot  146 Jun 23 04:38 kiwisolver
drwxrwxr-x.  2 boegelbot boegelbot  102 Jun 23 04:38 kiwisolver-1.4.4.dist-info
drwxrwxr-x.  5 boegelbot boegelbot 4.0K Jun 23 04:38 joblib
drwxrwxr-x.  2 boegelbot boegelbot  134 Jun 23 04:38 joblib-1.2.0.dist-info
drwxrwxr-x. 24 boegelbot boegelbot 4.0K Jun 23 04:38 fontTools
drwxrwxr-x.  2 boegelbot boegelbot  158 Jun 23 04:38 fonttools-4.40.0.dist-info
-rw-rw-r--.  1 boegelbot boegelbot  15K Jun 23 04:38 cycler.py
drwxrwxr-x.  2 boegelbot boegelbot  130 Jun 23 04:38 cycler-0.11.0.dist-info
drwxrwxr-x.  4 boegelbot boegelbot  239 Jun 23 04:38 contourpy
drwxrwxr-x.  2 boegelbot boegelbot  105 Jun 23 04:38 contourpy-1.1.0.dist-info
drwxrwxr-x.  2 boegelbot boegelbot   47 Jun 23 04:38 scikit_learn.libs
drwxrwxr-x. 33 boegelbot boegelbot 4.0K Jun 23 04:38 sklearn
drwxrwxr-x.  2 boegelbot boegelbot  130 Jun 23 04:38 scikit_learn-1.2.2.dist-info
-rw-rw-r--.  1 boegelbot boegelbot   90 Jun 23 04:38 pylab.py
-rw-rw-r--.  1 boegelbot boegelbot  569 Jun 23 04:38 matplotlib-3.7.1-py3.10-nspkg.pth
drwxrwxr-x.  5 boegelbot boegelbot   73 Jun 23 04:38 mpl_toolkits
drwxrwxr-x. 14 boegelbot boegelbot 4.0K Jun 23 04:38 matplotlib
drwxr-xr-x.  2 boegelbot boegelbot 4.0K Jun 23 04:38 __pycache__
drwxrwxr-x.  2 boegelbot boegelbot 4.0K Jun 23 04:38 matplotlib-3.7.1.dist-info
drwxrwxr-x.  6 boegelbot boegelbot 4.0K Jun 23 04:38 oxDNA_analysis_tools
drwxrwxr-x.  2 boegelbot boegelbot  166 Jun 23 04:38 oxDNA_analysis_tools-2.2.1.dist-info
drwxrwxr-x.  3 boegelbot boegelbot   95 Jun 23 04:38 oxpy
drwxrwxr-x.  2 boegelbot boegelbot  159 Jun 23 04:38 oxpy-3.3.dist-info

[migueldiascosta]

indeed, I had just realised this myself when pip check on another Python package failed because of missing oxpy dependencies. I'm testing a patch but I guess what's more urgent is to clean up the mess in generoso and jsc-zen2 so that it doesn't affect other PR tests?

cc @boegel

[branfosj]

I guess what's more urgent is to clean up the mess in generoso and jsc-zen2 so that it doesn't affect other PR tests?

We've rebuilt Python via the rebuilds in #17412 (comment)