interpolate: masked batch spline evaluation

[krystophny]

Adds masked variants of the hot-path batch spline evaluation routines so callers can avoid recomputing field values for inactive points (e.g. converged particles in SoA Newton iterations).

Changes:

• add evaluate_batch_splines_3d_many_der2_mask
• add evaluate_batch_splines_1d_many_der3_mask
• add unit test test_batch_interpolate_mask
• fix Makefile parallel build ordering for tools/h5merge (depends on libneo build)

Test evidence:

• /tmp/libneo_make_test_mask.log

[qodo-code-review]

CI Feedback 🧐

A test triggered by this PR failed. Here is an AI-generated analysis of the failure:

Action: Build and test

Failed stage: Build [❌]

Failed test name: ""

Failure summary: The action failed during compilation of the Fortran source src/interpolate/batch_interpolate.f90. - gfortran failed while building src/interpolate/CMakeFiles/interpolate.dir/batch_interpolate.f90.o because a referenced symbol is missing from a module. - Error at src/interpolate/batch_interpolate.f90:31: Symbol 'evaluate_batch_splines_2d_many_mask' ... not found in module 'batch_interpolate_2d'. - This caused ninja to stop (subcommand failed), which made make fail and the GitHub Action exit with code 2.

Relevant error logs: 1: ##[group]Runner Image Provisioner 2: Hosted Compute Agent ... 1116: [370/566] Building Fortran object test/CMakeFiles/test_transport.x.dir/transport/test_transport.f90.o 1117: [371/566] Building Fortran object CMakeFiles/coil_convert.x.dir/src/magfie/coil_convert.f90.o 1118: [372/566] Building Fortran object test/CMakeFiles/test_collision_freqs.x.dir/collisions/test_collision_freqs.f90.o 1119: [373/566] Building Fortran object CMakeFiles/vacfield.x.dir/src/magfie/vacfield.f90.o 1120: [374/566] Building Fortran object extra/MyMPILib/CMakeFiles/MyMPILib.dir/Internal/wuDataRequester_module.f90.o 1121: [375/566] Building Fortran object test/CMakeFiles/test_binsrc.x.dir/source/test_binsrc.f90.o 1122: [376/566] Building Fortran object test/CMakeFiles/test_boozer_coordinates_exports.x.dir/source/test_boozer_coordinates_exports.f90.o 1123: [377/566] Building Fortran object test/CMakeFiles/test_arnoldi.x.dir/source/test_arnoldi.f90.o 1124: [378/566] Building Fortran object test/CMakeFiles/test_geqdsk_tools.x.dir/source/test_geqdsk_tools.f90.o 1125: [379/566] Building Fortran object test/CMakeFiles/test_hdf5_tools.x.dir/source/test_hdf5_tools.f90.o 1126: [380/566] Building Fortran object test/CMakeFiles/test_system_utility.x.dir/source/test_system_utility.f90.o 1127: [381/566] Building C object test/CMakeFiles/test_system_utility.x.dir/__/src/local_rusage.c.o 1128: [382/566] Building Fortran object test/CMakeFiles/test_simpson.x.dir/source/test_simpson.f90.o 1129: [383/566] Building Fortran object src/interpolate/CMakeFiles/interpolate.dir/batch_interpolate_3d.f90.o 1130: [384/566] Building Fortran object src/interpolate/CMakeFiles/interpolate.dir/batch_interpolate.f90.o 1131: FAILED: [code=1] src/interpolate/CMakeFiles/interpolate.dir/batch_interpolate.f90.o include/batch_interpolate.mod 1132: /usr/bin/gfortran -I/home/runner/work/libneo/libneo/src/interpolate -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -O3 -Jinclude -fPIC -fPIC -g -cpp -fno-realloc-lhs -fmax-errors=1 -fbacktrace -ffree-line-length-132 -O3 -DNDEBUG -ffast-math -ffp-contract=fast -funroll-loops -ftree-vectorize -march=x86-64-v2 -mtune=generic -Wtrampolines -Werror=trampolines -fpreprocessed -c src/interpolate/CMakeFiles/interpolate.dir/batch_interpolate.f90-pp.f90 -o src/interpolate/CMakeFiles/interpolate.dir/batch_interpolate.f90.o 1133: /home/runner/work/libneo/libneo/src/interpolate/batch_interpolate.f90:31:67: 1134: 31 | evaluate_batch_splines_2d_many, & 1135: | 1 1136: Error: Symbol ‘evaluate_batch_splines_2d_many_mask’ referenced at (1) not found in module ‘batch_interpolate_2d’ 1137: compilation terminated due to -fmax-errors=1. 1138: [385/566] Building Fortran object src/magfie/CMakeFiles/magfie.dir/bdivfree.f90.o 1139: [386/566] Building Fortran object test/CMakeFiles/test_util.x.dir/source/test_util.f90.o 1140: [387/566] Building Fortran object test/CMakeFiles/test_plag_coeff.x.dir/source/test_plag_coeff.f90.o 1141: [388/566] Building Fortran object extra/MyMPILib/CMakeFiles/MyMPILib.dir/Generic/scheduler_module.f90.o 1142: [389/566] Building Fortran object src/contrib/CMakeFiles/CONTRIB.dir/minpack.f90.o 1143: ninja: build stopped: subcommand failed. 1144: make: *** [Makefile:27: ninja] Error 1 1145: ##[error]Process completed with exit code 2. 1146: ##[group]Run actions/upload-artifact@v4