Building AZ Plugins with HOOMD Blue 2.9.6

[gauravmitra1995]

Hi everyone,

I am having an issue with building AZ plugins with HOOMD 2.9.6. I have HOOMD 2.9.6 installed using conda. I have git cloned the repository for azplugins (https://github.com/mphowardlab/azplugins.git)
and when I try to do:

cmake -B build/azplugins -S azplugins

it gives me the following error:

dyld[47127]: Library not loaded: @rpath/librhash.0.dylib
Referenced from: <276AFB20-1FE1-3459-BFD7-8ABFEE0D7EED> /Users/gauravmitra/anaconda3/envs/hoomdtest/bin/cmake
Reason: tried: '/Users/gauravmitra/anaconda3/envs/hoomdtest/bin/../lib/librhash.0.dylib' (no such file), '/Users/gauravmitra/anaconda3/envs/hoomdtest/bin/../lib/librhash.0.dylib' (no such file), '/usr/local/lib/librhash.0.dylib' (no such file), '/usr/lib/librhash.0.dylib' (no such file, not in dyld cache)
zsh: abort cmake -B build/azplugins -S azplugins

I am not sure where I am going wrong. My Python version is 3.8.5

(hoomdtest) (.venv) gauravmitra@Gauravs-MacBook-Pro Condensates_softwares % python --version
Python 3.8.5

Please help.

Best,
Gaurav

[mphoward]

The most recent release of azplugins (1.1.0) requires HOOMD 5, so it should not build with HOOMD 2.9.6. I do not provide backsupport for older releases of azplugins, so I recommend upgrading your HOOMD installation and trying again.

If the problem persists, it may be an incompatibility between the conda installation and your own compilers (see #1930). In that case, I suggest compiling HOOMD from source.

[gauravmitra1995]

Okay, thanks a lot!

[gauravmitra1995]

Hello, I have built AZplugins after installing HOOMD 5.0.0 using conda. When I try to do:
python -m pytest --pyargs hoomd.azplugins

I get this error:

collected 0 items / 1 error

=================================================================== ERRORS ===================================================================
_______________________________________________________ ERROR collecting test session ________________________________________________________
/home/gmitra/miniconda/envs/hoomdpython/lib/python3.12/importlib/init.py:90: in import_module
return _bootstrap._gcd_import(name[level:], package, level)
:1387: in _gcd_import
???
:1360: in _find_and_load
???
:1310: in _find_and_load_unlocked
???
:488: in _call_with_frames_removed
???
:1387: in _gcd_import
???
:1360: in _find_and_load
???
:1331: in _find_and_load_unlocked
???
:935: in _load_unlocked
???
:995: in exec_module
???
:488: in _call_with_frames_removed
???
/home/gmitra/miniconda/envs/hoomdpython/lib/python3.12/site-packages/hoomd/azplugins/init.py:7: in
from hoomd.azplugins import bond, compute, external, flow, pair
/home/gmitra/miniconda/envs/hoomdpython/lib/python3.12/site-packages/hoomd/azplugins/bond.py:7: in
from hoomd.azplugins import _azplugins
E ImportError: generic_type: type "PotentialBondDoubleWell" referenced unknown base type "hoomd::ForceCompute"
========================================================== short test summary info ===========================================================
ERROR - ImportError: generic_type: type "PotentialBondDoubleWell" referenced unknown base type "hoomd::ForceCompute"
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Interrupted: 1 error during collection !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
============================================================== 1 error in 2.06s ==============================================================

Can you please help?

[mphoward]

Please see the discussion in #1930. You likely have an incompatibility between the conda-forge installation of HOOMD-blue and your build environment. You should be able to resolve it by compiling HOOMD-blue from source.

[gauravmitra1995]

Thanks, What is the version of HOOMD Blue that would work properly with the current version of azplugins? I believe its not 5.1.0

[mphoward]

The most recent commit was tested against 5.0.1, but I have no reason to think it would not work with 5.1.