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Install some optional dependencies in CI #3786
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Install some optional dependencies in CI #3786
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do we want to merge this as partially complete and leave some of the todos for later? |
Thanks for asking. I was facing some resistance while trying to install them (maybe that's the reason they're not installed in CI). And what make things worse is that I never use any of these. I'm currently working on the Also some help would be appreciated:
UPDATE: |
Summary
bader_caller
(settingPATH
to empty is easier than changing thepatch
location, and serves the same result wherebader
cannot be found inPATH
)Installed
boltztrap2
: (partial) installable only on Ubuntu and withpip
(uv
wouldn't work and suggest nonumpy
found when there is)Unsuccessful
Remaining
graphviz
: 186ead5, install successful, but still get SKIPPED [1] tests/analysis/test_graphs.py:341: graphviz executables not present, maybe need Installation:fatal error: 'graphviz/cgraph.h' file not found pygraphviz/pygraphviz#11 andneato
+fdp
critic2
: https://aoterodelaroza.github.io/critic2/installation/OBAlign
: should come withopenbabel
?vampire
: https://vampire.york.ac.uk/download/x_trans
: http://www.icams.de/content/research/software-development/boltztrap/ (Page not found)zeo/pyzeo
: http://www.zeoplusplus.org/download.html (last update 2017)