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## Important documents and further reading
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- The [changelog](https://iffgit.fz-juelich.de/kkr/jukkr/-/blob/develop/CHANGELOG.md)
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- The [contributing guide](https://kkr.iffgit.fz-juelich.de/jukkr/page/contributing.html)
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- The [automatically generated documentation of the source code](https://kkr.iffgit.fz-juelich.de/jukkr)
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## CI and automatic testing
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Describe CI pipeline, where to find the stuff and how tests are organized
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- The [CI pipelines](https://iffgit.fz-juelich.de/kkr/jukkr/-/pipelines),
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- code coverage: https://kkr.iffgit.fz-juelich.de/jukkr/page/codecov/index.html
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With every commit and also as nightly checks, continuous integration (CI) tests are run. There are several [CI pipelines](https://iffgit.fz-juelich.de/kkr/jukkr/-/pipelines) covering different aspects which are defined in *Build -> Pipelines* of the project's navigation bar. The typical test is a regression test that runs the code for a minimal example (should run very quickly, not accurately) of a certain feature and checks if the output agrees to some reference.
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The tests are defined in the [`tests` folder](https://iffgit.fz-juelich.de/kkr/jukkr/-/tree/develop/tests?ref_type=heads) where the different stages (*build*, *run* and *verify* steps for different codes) are defined in yaml files collected in [`tests/gitlab-ci`](https://iffgit.fz-juelich.de/kkr/jukkr/-/tree/develop/tests/gitlab-ci?ref_type=heads). A typical step looks like this (annotated for readability):
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```
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build_kkrhost:gnu:debug: # name of the job
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stage: build_kkrhost # stage where it runs (see pipeline definition)
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needs: ["test:intel"] # dependency for this job (here requires to have checked if intel compiler works)
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tags:
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- docker-executor # required to run the docker image where this is based upon
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image: iffregistry.fz-juelich.de/docker-images/centos7-intel-compilers/extended_gcc8:latest # definition of docker image that has intel compilers installed
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allow_failure: false
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script: # definition of steps that are done for compilation
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# first make sure correct cmake etc is used
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- source /etc/profile
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- mkdir build_gfortran_debug && cd build_gfortran_debug
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- /opt/gcc8/bin/gfortran --version
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- FC=/opt/gcc8/bin/gfortran cmake -DENABLE_MPI=OFF -DENABLE_OMP=OFF -DCMAKE_BUILD_TYPE=Debug -DCOMPILE_KKRHOST=ON -DCOMPILE_KKRIMP=OFF -DCOMPILE_KKRSUSC=OFF -DCOMPILE_PKKPRIME=OFF -DCOMPILE_VORONOI=OFF -DCOMPILE_RHOQ=OFF ..
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- make -j4 VERBOSE=1
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only: # definition for which pipelines this test is run
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- BdG # branch name
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- schedules # scheduled tests (nightly builds)
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- triggers # can be triggered by webhooks
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- web # can be started from the website
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- master # branch name
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- develop # branch name
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```
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A typical regression test contains the minimal input (e.g., for [KKRhost qdos test](https://iffgit.fz-juelich.de/kkr/jukkr/-/tree/develop/tests/KKRhost/test_inputs/test_12_qdos_bcc_Fe_slab?ref_type=heads): `inputcard`, `shapefun`, `potential`, `qvec.dat`) and [reference data](https://iffgit.fz-juelich.de/kkr/jukkr/-/tree/develop/tests/KKRhost/test_inputs/test_12_qdos_bcc_Fe_slab/ref?ref_type=heads) (`qdos.AAA.S.dat` output files). After compiling the executable, the CI system then runs the tests and verifies the outcome using simple Python scripts and pytest.
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For the qdos test, this is defined in [`tests/KKRhost/tools/test_verify_qdos.py`](https://iffgit.fz-juelich.de/kkr/jukkr/-/blob/develop/tests/KKRhost/tools/test_verify_qdos.py?ref_type=head).
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An overview of the [code's test coverage](https://kkr.iffgit.fz-juelich.de/jukkr/page/codecov/index.html) is automatically computed by running the tests with the appropriate compiler option.
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## Zenodo releases
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| ... | ... | @@ -95,7 +120,7 @@ Additional files needed for Boltzmann transport calculations: |
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- [`source/common/global_variables.F90`](https://iffgit.fz-juelich.de/kkr/jukkr/-/blob/develop/source/common/global_variables.F90?ref_type=heads): definition of global constants (array sizes etc.)
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- [`source/common/constants.f90`](https://iffgit.fz-juelich.de/kkr/jukkr/-/blob/develop/source/common/constants.f90?ref_type=heads): definition of physical constants
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##### Space groups
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#### Space groups
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- [`source/common/findgroup.f90`](https://iffgit.fz-juelich.de/kkr/jukkr/-/blob/develop/source/common/findgroup.f90?ref_type=heads)
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- [`source/common/pointgrp.f90`](https://iffgit.fz-juelich.de/kkr/jukkr/-/blob/develop/source/common/pointgrp.f90?ref_type=heads)
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