Per configuration pytest #261
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Ok I think something is not working with the vasp tests. (all of them are skipped due to a missing environment variable) |
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I found an error in the Im not familiar how these test pipelines are set up. So I need some help there. |
There's no VASP on the github CI, since it requires a license. Someone has to run the tests manually. I have a local script that does that by setting various env vars. Generally I've been the only one really using VASP a lot, so I've been running that test when anyone submits a PR that's Vasp related. I'm happy to do that for this PR, but it'd also be nice to have a test that's not Vasp-based, so it'll run on the github CI as well. |
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Ok I'll try to do a non VASP pytest. |
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Feel free to keep the Vasp test in there as well, and I'll run it locally (in addition to the CI running the non-Vasp one). |
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Thanks. Test looks good, so if it passes, I'll start the merging process (this one into the per-config calculator, and then the per-config calculator into main). |
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Ok I had to change a line, now its done. |
tests/prep_test_cli_rss.sh
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| @@ -19,7 +19,7 @@ fi | |||
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| export VASP_COMMAND=vasp.serial | |||
| export VASP_COMMAND_GAMMA=vasp.gamma_serial | |||
| export VASP_PP_PATH=${VASP_PATH}/pot/rev_54/PBE | |||
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Why did you change this variable? It's internal to ASE's vasp calculator, and this isn't even a test - it's a script that does the reference gap_rss_iter_fit calculation which the corresponding test compares to.
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Do we need a more general discussion of how the VASP tests are configured?
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I first thought that was part of the reason why the pytest for VASP was skipped.
So this change make no sense after since I now that the pytest is not done in the pipeline.
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OK - can you undo it please?
This reverts commit 2bbde81.
First trial, lets see if this works.