votca / votca

The source of the votca-csg and xtp packages

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Espresso example is failing with Espresso 4.2.0

junghans opened this issue · comments

158/250 Test #158: regression_spce_ibi_espresso .......................Subprocess terminated***Exception:   9.31 sec****
...
Running critical command 'python3 spce.py'
Program Information:
['BOND_CONSTRAINT', 'COLLISION_DETECTION', 'DIPOLES', 'DP3M', 'DPD', 'ELECTROSTATICS', 'ENGINE', 'EXCLUSIONS', 'EXTERNAL_FORCES', 'FFTW', 'GAUSSIAN', 'GSL', 'H5MD', 'HAT', 'HERTZIAN', 'LB_BOUNDARIES', 'LENNARD_JONES', 'LENNARD_JONES_GENERIC', 'LJCOS', 'LJCOS2', 'LJGEN_SOFTCORE', 'MASS', 'NPT', 'P3M', 'PARTICLE_ANISOTROPY', 'ROTATION', 'ROTATIONAL_INERTIA', 'SMOOTH_STEP', 'SOFT_SPHERE', 'TABULATED', 'THERMOSTAT_PER_PARTICLE', 'VIRTUAL_SITES', 'VIRTUAL_SITES_INERTIALESS_TRACERS', 'VIRTUAL_SITES_RELATIVE', 'WCA']
Traceback (most recent call last):
  File "/__w/votca/votca/builddir/csg-tutorials/spce/ibi_espresso/step_001/spce.py", line 63, in <module>
    system.set_random_state_PRNG()
    ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'espressomd.system.System' object has no attribute 'set_random_state_PRNG'

@jngrad any ideas?

The code is here:

system.set_random_state_PRNG()

With the new release we could also finally fix the units in the tutorial, too (see #807 (comment)):

positions = atompos*nm2Angstroem