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Commit d053f308 authored by Philipp Rüssmann's avatar Philipp Rüssmann
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Do voronoi tests first to have voronoi executable for aiida test ready

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......@@ -17,6 +17,10 @@ before_script:
stages:
- test
# voronoi stages
- build_voronoi
- run_voronoi
# verify stage not defined yet
# kkrhost stages
- build_kkrhost
- run_kkrhost_serial
......@@ -36,10 +40,6 @@ stages:
# pkkprime stages
- build_pkkprime
# run and verift stages not defined yet
# voronoi stages
- build_voronoi
- run_voronoi
# verify stage not defined yet
# rhoq stages
- build_rhoq
# run and verift stages not defined yet
......
verdi code setup \
--non-interactive \
--label="voronoi" \
--input-plugin="kkr.voro" "slurmcontrol" \
--code-folder="/builds/kkr" \
--code-rel-path="voronoi.exe" \
--prepend-text="ln -s /builds/kkr/ElementDataBase ."
voronoi
False
kkr.voro
slurmcontrol
/builds/kkr/kkrjm/voronoi/voronoi.exe
ln -s /builds/kkr/kkrjm/voronoi/ElementDataBase .
......@@ -543,12 +543,10 @@ run_kkrhost:intel:aiida-kkr:
# some prepararion
- umask 000 # needed to ensure that all subdirs created by aiida have the right permissions
- cp tests/kkr.x "${KKR_EXECUTABLE_PATH}" # copy kkr executable to correct dir
- cp tests/voronoi.exe /builds/kkr/voronoi.exe # copy voronoi executable to correct dir
- export C_FORCE_ROOT='true' # needed since root process executes aiida
- verdi devel setproperty logging.celery_loglevel INFO && verdi devel setproperty logging.aiida_loglevel INFO && verdi daemon restart # restart aiida daemon with increased loglevel
# compile latest voronoi version and add to aiida
- git clone https://gitlab-ci-token:${CI_JOB_TOKEN}@iffgit.fz-juelich.de/kkr/voronoi.git voronoi
- cd voronoi/prog/ && make && cd ../../
- verdi code setup < "tests/KKRhost/tools/setup_voronoi_aiida.txt"
- tests/KKRhost/tools/setup_voronoi_aiida.sh
# finally run simple test case using kkr_scf workflow of aiida
- tests/KKRhost/tools/aiida_simple_test.py
# check some output of the calculation and export aiida database
......
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