Add python support to ImpactX build

moellep commented 3 months ago

We'll need the "impactx" python library as well. I think that gets added with -DImpactX_PYTHON=ON.

moellep commented 3 months ago

Also double check that the python bindings works after the build - some people haven't been able to get it to work when building locally.

cchall commented 3 months ago

I had tried building with Python enabled on jupyter and got an error on import:

---------------------------------------------------------------------------
ImportError                               Traceback (most recent call last)
Cell In[15], line 1
----> 1 import impactx

File ~/.pyenv/versions/py3/lib/python3.9/site-packages/impactx/__init__.py:20
     17             os.add_dll_directory(p_abs)
     19 # import core bindings to C++
---> 20 from . import impactx_pybind as cxx
     21 from .extensions.ImpactXParIter import register_ImpactXParIter_extension
     22 from .extensions.ImpactXParticleContainer import (
     23     register_ImpactXParticleContainer_extension,
     24 )

ImportError: /home/vagrant/.pyenv/versions/py3/lib/python3.9/site-packages/impactx/impactx_pybind.cpython-39-x86_64-linux-gnu.so: undefined symbol: _ZN5amrex12FabArrayBase20m_alloc_single_chunkE

The impactx executable worked fine though.

ax3l commented 3 months ago

Hi @cchall, can you point me to the build script? I think this might just be a small version mismatch of some kind in dependencies.

My suspicion is:

there is an old build/ directory
this downloaded in its superbuild AMReX and maybe pyAMReX from ~2 months ago (when this symbol was introduced)
ImpactX is newer from a git update

The solution might be as easy as removing any old build directory if present.

ax3l commented 3 months ago

Also double check that the python bindings works after the build - some people haven't been able to get it to work when building locally.

@moellep oh no, let me know where people got stuck please.

I will reduce the info in the ImpactX readme file to avoid duplication. The recommended install docs are:

pre-compiled packages: https://impactx.readthedocs.io/en/latest/install/users.html
developer build: https://impactx.readthedocs.io/en/latest/install/cmake.html

cchall commented 3 months ago

@ax3l I just followed the developer build commands

cmake -S . -B build -DImpactX_PYTHON=ON cmake --build build -j 4

I tried repeating this after clearing out build. It looks like amrex version 24.04 is should be used, which I think was released right after the commit you pointed to. I noticed that previously the impactx import was not pointing to the version in build/. However, I still get the same error:

In [3]: import impactx
---------------------------------------------------------------------------
ImportError                               Traceback (most recent call last)
Cell In[3], line 1
----> 1 import impactx

File ~/jupyter/repos/impactx/build/lib/site-packages/impactx/__init__.py:20
     17             os.add_dll_directory(p_abs)
     19 # import core bindings to C++
---> 20 from . import impactx_pybind as cxx
     21 from .extensions.ImpactXParIter import register_ImpactXParIter_extension
     22 from .extensions.ImpactXParticleContainer import (
     23     register_ImpactXParticleContainer_extension,
     24 )

ImportError: /home/vagrant/jupyter/repos/impactx/build/lib/site-packages/impactx/impactx_pybind.cpython-39-x86_64-linux-gnu.so: undefined symbol: _ZN5amrex12FabArrayBase20m_alloc_single_chunkE

I've attached the full log. It's also certainly possible that there might be an older version of amrex in our environment that is being grabbed. impactx.log

ax3l commented 3 months ago

Hi @cchall ,

I think I see what this does from #677 now.

You want to add something like

codes_dependencies common
codes_dependencies amrex
codes_dependencies pyamrex
...
codes_cmake2 \
  -DCMAKE_INSTALL_PREFIX="${codes_dir[prefix]}" \
  -DImpactX_amrex_internal=OFF  \
  -DImpactX_pyamrex_internal=OFF

to disable the ImpactX superbuilds and rely on a shared external amrex library. https://impactx.readthedocs.io/en/latest/install/cmake.html#compile

Also, a pyamrex package will be needed that also depends on amrex.

ax3l commented 3 months ago

Just FYI, this is the BLAST Exascale software stack. Elements on top depend on elements below them.

If you only deploy ImpactX, ignore in situ visualization, ABLASTR, PICSAR-QED, and Lin. Alg. for now. FFT (FFTW on CPU, CUDA/HIP ship cuFFT/rocFFT for GPU) will be part of the ImpactX dependencies in 24.06+ (for our IGF Poisson solver).

If it is easier for you to read other package managers, here are our conda recipes:

(see also the conda build and test scripts in the same directories)

ax3l commented 3 months ago

I added some suggestions in #682, but I do not know how to test this (help welcome :) )

e-carlin commented 3 months ago

Fixed by https://github.com/radiasoft/download/pull/682

radiasoft / download

Add python support to ImpactX build #680