Unit test for angle style with a required pair style

im trying to write a unit test for angle_spica. this is what i have so far:

---
lammps_version: 17 Feb 2022
epsilon: 1e-12
skip_tests:
prerequisites: ! |
  atom full
  angle spica
  pair lj/spica
pre_commands: ! |
  variable write_data_pair index ij
post_commands: ! |
  pair_style lj/spica 8.0
  pair_coeff 1 1 lj9_6  0.02 2.5
  pair_coeff 1 2 lj9_6  0.01 1.58114
  pair_coeff 1 3 lj9_6  0.02 2.82843
  pair_coeff 1 4 lj9_6  0.0173205 2.78388
  pair_coeff 1 5 lj9_6  0.0173205 2.78388
  pair_coeff 2 2 lj12_4 0.005 1.0
  pair_coeff 2 3 lj12_4 0.01 1.78885
  pair_coeff 2 4 lj12_4 0.005 0.5
  pair_coeff 2 5 lj12_4 0.00866025 1.76068 8
  pair_coeff 3 3 lj12_6 0.02 3.2 8
  pair_coeff 3 4 lj12_6 0.0173205 3.1496 8
  pair_coeff 3 5 lj12_6 0.0173205 3.1496 8
  pair_coeff 4 4 lj9_6  0.015 3.1 8
  pair_coeff 4 5 lj9_6  0.015 3.1 8
  pair_coeff 5 5 lj9_6  0.015 3.1 8
input_file: in.fourmol
angle_style: spica
angle_coeff: ! |
  1  33.5 110.1
  2  46.1 111.3
  3  40.0 120.0
  4  33.0 108.5
equilibrium: 4 1.9216075064457567 1.9425514574696887 2.0943951023931953 1.8936822384138476
extract: ! ""
natoms: 29
[...]

first i added pair style spica to yaml because angle_spica needs a pair style:

LAMMPS Error: ERROR: Angle style SPICA is incompatible with Pair style (src/CG-SPICA/angle_spica.cpp:318)

but now im getting error

LAMMPS Error: ERROR on proc 0: Pair style lj/spica requires using write_data with the ‘pair ij’ option (src/CG-SPICA/pair_lj_spica.cpp:446)

even if i added variable write_data_pair index ij to pre_commands ?

is it possible to write an angle unit test that also requires a pair style ? or maybe i should put write_data in skip_tests as a temporary workaround ?

The angle style tester will need some work to be fully compatible and I don’t think you can easily make the fourmol input template compatible as well.

You “post_commands” section should also contain

pair_modify compute no

so that you are only computing the forces and stress for the angle style and not include the pair style.