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Published 20 hours ago • verified publisher icon easybuilders

update CP2K easyblock to use do_regtest.py script for recent versions (WIP)

Open boegel opened this issue 2 years ago • 2 comments

do_regtest script was removed in CP2K 2023.2

boegel avatar Aug 17 '23 07:08 boegel

Test report by @smoors

Overview of tested easyconfigs (in order)

  • FAIL (build issue) CP2K-2024.1-foss-2023a.eb (partial log available at https://gist.github.com/smoors/623b12f5d8cac08adfcd9d65920b7541)

Build succeeded for 0 out of 1 (1 easyconfigs in total) node303.hydra.os - Linux Rocky Linux 8.9, x86_64, Intel(R) Xeon(R) Gold 6148 CPU @ 2.40GHz (skylake_avx512), Python 3.6.8 See https://gist.github.com/smoors/b91de08d027cf6066542ba043fe562a7 for a full test report.

smoors avatar Jun 18 '24 15:06 smoors 

 /tmp/CP2K/2024.1/foss-2023a/cp2k-2024.1/tools/regtesting/do_regtest.py Linux-x86-64-foss psmp" exited with exit code 2 and output:
python: can't open file '/tmp/CP2K/2024.1/foss-2023a/cp2k-2024.1/tools/regtesting/do_regtest.py': [Errno 2] No such file or directory

checking the sources for v2024.1, the do_regtest.py file is here:

cp2k-2024.1/tests/do_regtest.py

smoors avatar Jun 18 '24 19:06 smoors