README.tests 1.09 KB
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This directory and its subdirectories contain the automatic tests for FLEUR.

They can be executed after compiling by running "ctest".

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The following changes have to be made to create a new test:
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A) Create the test scripts. Follow for example the files in tests/tests/CuBulk
1. create a sub-directory under tests/tests/TESTNAME containing your testcase
2. in TESTNAME create a test.desc file describing the test
3. in TESTNAME directory create one or more test.run1, test.run2... etc files that will be executed
4. in TESTNAME/file put files you need 
 
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B) Create a file called 'LABELS' in TESTNAME directory containing a list of labels for cmake
The following labels should be specified if appropriate
FLEUR : test for FLEUR
INPGEN: test for inpgen
MPI   : test also in MPI mode, otherwise only serial tests are performed
QUICK : test runs fast (less than approx. 60s)
WANNIER:use Wannier library

in addition, you should add labels describing features that are tested:
bulk,film,xml,collinear,soc,lo,ldau,non-collinear,spinspiral,inversion,forces,...

For example the file might look like this:
FLEUR;MPI;bulk;lo