One test fails

[yurivict]

Hello,

The FreeBSD port runs this script as a testsuite:

        @cd ${WRKSRC} && \
                ([ -e shunit2 ] || (${MKDIR} tests/shunit2 && ${RM} tests/shunit2/shunit2 && ${LN} -s ${LOCALBASE}/bin/shunit2 tests/shunit2/shunit2)) && \
                ${SETENV} ${TEST_ENV} bash tests/test_read_coords_pdb.sh && \
                ${SETENV} ${TEST_ENV} bash tests/test_ltemplify.sh && \
                ${SETENV} ${TEST_ENV} bash tests/test_oplsaa.sh && \
                ${SETENV} ${TEST_ENV} bash tests/test_compass.sh && \
                ${SETENV} ${TEST_ENV} python3 tests/test_genpoly_lt.py

In version 2.20.17 it fails like this in the middle:

/disk-samsung/freebsd-ports/science/py-moltemplate/work-py39/stage/usr/local/bin/cleanup_moltemplate.sh: line 227: /disk-samsung/freebsd-ports/science/py-moltemplate/work-py39/stage/usr/local/bin/scripts/moltemplate.sh: No such file or directory
ERROR: cleanup_moltemplate.sh: unable to convert the simplified LT file to LAMMPS files
ASSERT:cleanup_moltemplate.sh failed: system.data missing impropers

Ran 1 test.

FAILED (failures=2)

[jewettaij]

Hi Yuri. My apologies for my slow reply! I confess that when I first read your error report, I thought it was something specific to FreeBSD, because the unit-tests were passing. (But it would have been more polite for me to at least reply to your post!) But when PhnRvTjN reported a similar bug, then I realized it was something more general. I am grateful to both of you for your reports. PhnRvTjN found a solution. I will fix this in the next 24 hours.

[jewettaij]

This issue was fixed in the latest release (v2.20.19).

Thank you again for your reports and your patience.