Add heFFTe

[ax3l]

Add the heFFTe library, a Highly Efficient FFT for Exascale.

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[conda-forge-webservices]

Hi! This is the friendly automated conda-forge-linting service.

I wanted to let you know that I linted all conda-recipes in your PR (recipes/heffte) and found some lint.

Here's what I've got...

For recipes/heffte:

• The recipe must have some tests.
• There are 1 too many lines. There should be one empty line at the end of the file.

[conda-forge-webservices]

Hi! This is the friendly automated conda-forge-linting service.

I wanted to let you know that I linted all conda-recipes in your PR (recipes/heffte) and found some lint.

Here's what I've got...

For recipes/heffte:

• The recipe must have some tests.

[conda-forge-webservices]

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipes/heffte) and found it was in an excellent condition.

[ax3l]

@conda-forge/help-c-cpp this new package for heFFTe is ready for review.

In the Linux test, I do not understand the linker missing the libpthread_nonshared.a library. This might be an MPI or FFTW package bug in CF... or a missing package? I cannot say for sure.

[ 20%] Linking CXX executable heffte_example_fftw
/home/conda/staged-recipes/build_artifacts/heffte_1718162756113/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold/bin/../lib/gcc/x86_64-conda-linux-gnu/12.3.0/../../../../x86_64-conda-linux-gnu/bin/ld: cannot find /usr/lib64/libpthread_nonshared.a: No such file or directory
collect2: error: ld returned 1 exit status
make[2]: *** [examples/CMakeFiles/heffte_example_fftw.dir/build.make:107: examples/heffte_example_fftw] Error 1

[conda-forge-webservices]

Hi! This is the friendly automated conda-forge-linting service.

I wanted to let you know that I linted all conda-recipes in your PR (recipes/heffte) and found some lint.

Here's what I've got...

For recipes/heffte:

• The following maintainers have not yet confirmed that they are willing to be listed here: mkstoyanov. Please ask them to comment on this PR if they are.

[ax3l]

ping @conda-forge/help-c-cpp any idea on this pthread issue in tests? :)

[mkstoyanov]

I agree to be listed as feedstock maintainer.

[egpbos]

Is this possibly an issue with FFTW's CMake support itself? Because that is not officially supported, see e.g. FFTW/fftw3#307, so you may need to fix it there.

[ax3l]

That is possible, I myself do some quite elaborate back-and-forth when searching for FFTW downstream in other codes: https://github.com/ECP-WarpX/WarpX/blob/development/cmake/dependencies/FFT.cmake

@mkstoyanov do you have any recommendations on how to build heFFTe against FFTW on Linux or have seen this issue before?

[mkstoyanov]

@ax3l I don't know why I missed the notification on this mention. Feel free to email me at work and I seem to be getting the comments on the heFFTe issues.

I've only ever build heFFTe with FFTW on Linux using either default installed packages from apt or the system modules on the HPC clusters. The modules lead only one set of libraries at a time (usually) and I've had no conflicts with apt.

The long list of "overlinking" was a work-around when I don't know what will be installed. The hope is that the compiler will just pick the first one it finds and ignores the rest. I don't know what is the right logic to handle this if we have multiple libraries (e.g., openmp and threads) and how to detect whether a compiler supports OpenMP (clang can be iffy with OpenMP).

The last-resort solution that heFFTe supports is that the user can manually specify:

-D FFTW_LIBRARIES=...
-D FFTW_INCLUDES=...

If those two are present, heFFTe will not do any "guessing" or try to find or enable anything else.

I don't know how/if you can get the list of libraries and includes from conda but if you can, this should just work.

[conda-forge-webservices]

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipes/heffte/meta.yaml) and found it was in an excellent condition.

[ax3l]

Thanks, @mkstoyanov!

I now started a patch to make the FFTW threads search in heFFTe's CMake logic more robust:
icl-utk-edu/heffte#55

I am trying to find out: is FFTW thread support (which is optional) are requirement for heFFTe to build? I see a few calls in a benchmark like this that suggest this:
https://github.com/icl-utk-edu/heffte/blob/a6236b06f321e06c23f2615a26da1ee82c63b962/benchmarks/speed3d.h#L49-L53
Those lines assumes FFTW presence is equal to thread or OMP support?

[ax3l]

@egpbos @jakirkham we made it - heFFTe ready for review & merge :)

[egpbos]

Awesome @ax3l! I'm not a reviewer here, but it LGTM nonetheless ;)

[ax3l]

Oops, sorry 😅

@conda-forge/help-c-cpp heFFTe package is ready to gooo 🚀

[ax3l]

Thank you, Isuru!