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Creating Testcase For Inclusion In The Testsuite

0) Create a testcase and make sure it is working and correct on at least two different systems (e.g. your laptop and hbar/quantum). The new testcase should meet the following conditions:

a) It tests something that is not tested yet (see e.g. xtester --list).
b) It is reasonably short (a few minutes or less on your laptop).
c) It does not need more than the default memory (which is more than 700 MB for the 64 bit version anyways).
d) It has *CFOUR and NOT *ACES2 or *CRAPS in the ZMAT.

1) make sure that you are using an unmodified, working version of cfour:

at least run the testsuite before adding testcases

2) go to cfour/testsuite and enter

source (this *must* be done, even if you don't normally do it when running the testsuite)

3) place the ZMAT of the new testcase in the testsuite/run directory (which will be present after running the testsuite. This should just be the usual input file - called ZMAT; the number will be added automatically.

4) enter, from the directory just above (the main testsuite directory)

xtester --add

5) check the new testcase

xtester --testcase XXX

where XXX is the number given to the new test by xtester --add (see output of 3)

6) in case something was incorrect

modify tests/input.XXX (which is the ZMAT of your new testcase) and run

xtester --update XXX
xtester --testcase XXX

7) update the files tests/short.XXX and tests/long.XXX have a look at short.003 and long.003 on how to do that.

8) check the new stuff again

xtester --info XXX
xtester --explain XXX
xtester --testcase XXX

9) go into the tests subdirectory and type

git add *.XXX
git commit *.XXX

where XXX is the number of the new testcase.

Some issues:

If you see the following output when running your new testcase, e.g.

[stanton@hbar testsuite]$ xtester --testcase 388

 ... PASSED ... 

do not panic. This means that the file:


needs to be modified (you neglected step #7 above)

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Page last modified on September 26, 2017, at 01:27 PM
CFOUR is partially supported by the U.S. National Science Foundation.