replace run_cmd with run_shell_cmd in custom easyblock for PSI/PSI4 (psi.py)

[branfosj]

(created using eb --new-pr)

• used in PSI4 easyconfigs
• PSI easyconfigs have been archived

[branfosj]

Test report by @branfosj

Overview of tested easyconfigs (in order)

• SUCCESS CheMPS2-1.8.11-foss-2021b.eb
• SUCCESS psutil-5.9.4-GCCcore-11.2.0.eb
• SUCCESS pytest-7.1.3-GCCcore-11.2.0.eb
• FAIL (build issue) PSI4-1.7-foss-2021b.eb (partial log available at https://gist.github.com/branfosj/8f5ba936df96b0101c04842128f3c3ec)

Build succeeded for 3 out of 4 (1 easyconfigs in total)
bear-pg0105u03b - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Platinum 8360Y CPU @ 2.40GHz (icelake), Python 3.6.8
See https://gist.github.com/branfosj/b4a4801abcb9dcf86f839862d3d498c5 for a full test report.

[bartoldeman]

Seems to fail on an unrelated issue:

== 2024-02-10 10:50:34,327 build_log.py:171 ERROR EasyBuild encountered an error (at easybuild/src/easybuild-framework/easybuild/base/exceptions.py:126 in __init__): `/rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/Python/3.9.6-GCCcore-11.2.0/bin/python -m pip check` failed:
qcengine 0.26.0 requires pyyaml, which is not installed.

[branfosj]

Checking the current install on generoso gives the same:

$ pip check
qcengine 0.26.0 requires pyyaml, which is not installed.

So, this means that pip check was not enabled before and is now. This is showing up an issue with the original easyconfig. I'll sort out a fix for it.

[branfosj]

Updated easyconfig in easybuilders/easybuild-easyconfigs#19836

[bartoldeman]

ok with the updated easyconfig now