Testing

How to run the test suite?

The test suite is written in python3. To run the test suite, the following modules are required:
1) Numpy
2) Scipy
3) netCDF4

Download the required data to run test suite

python3 run_tests.py --download

To run the test suite:

python3 run_tests.py --ncpus=1 --mpirun=mpirun --lelphc=./lelphc

For more information about the available options use the below command

python3 run_tests.py --help 

Adding new tests to the test suite

Adding tests is straightforward. Append a two-element list to the tests list located in test_list.py. The list should follow this format: [test_folder, test_ini_file], where test_folder is the relative path to the test directory. test_ini_file is the .ini configuration file that must be present in the test_folder. The test_ini_file defines the list of tests in the test folder. It follows this structure:

; Tests are defined using sections. Each section defines a test.
; The DEFAULT section (all uppercase) contains inputs that apply to all other sections.
;
; The ndb.elph and ndb.Dmat reference files are set with elph_db_ref and dmat_db_ref, respectively.
; Section names follow the structure: [testname code], where code is typically qe. 
; If only one name is provided (i.e., [testname]), the code is assumed to be qe.
;
[DEFAULT] ; 
start_bnd       = 1 
end_bnd         = 40 
save_dir        = /Users/murali/phd/one_phonon_raman/wse2/SAVE  
ph_save_dir     = /Users/murali/phd/one_phonon_raman/wse2/ph_save  
kernel          = dfpt
elph_db_ref     =  ../ndb.elph_ref_test
dmat_db_ref     =  ../ndb.Dmats_ref_test
;
[test1 qe]
convention      = yambo
;
[test2]
convention      = standard