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Test: the xtb stand-in tests shadow the user's own tool copy too - #420
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qm_runtime searches ~/.delfin/qm_tools/bin (where the dashboard's install buttons put a tool) before PATH. Four tests that put a stand-in xtb first on PATH found the host's real xtb instead on a machine whose user had installed one, and passed in CI, which has none: test_an_install_is_found_although_an_older_xtb_was_found_first and the three BLAS-thread tests. Each now also sets get_user_qm_tools_root to an empty directory of its own. Rejected: redirecting the user copy for every test in conftest. Tests that compute with a real installed tool (g-xTB, MOPAC) decide their skip at import time from the real copy and then failed at run time (5 such failures measured). On 97e6081 on this host: 1 failed + 3 errors; after: both files 49 passed. CI lint clean.
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Four tests put a stand-in xtb first on PATH. qm_runtime searches
~/.delfin/qm_tools/binbefore PATH, so on a machine where the user had installed xtb from the dashboard, the tests found the real one: red there, green in CI. Each test now also pointsget_user_qm_tools_rootat an empty directory of its own.Rejected: a global redirect in conftest. Tests that compute with a real tool (g-xTB, MOPAC) decide their skip at import time and then failed at run time; 5 such failures were measured.
Locally: 1 failed + 3 errors before, 49 passed after.