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enzyme: extend the composed-force Hessian test with the lambda force#22

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krystophny wants to merge 12 commits into
constraint-force-kernelfrom
augmented-force-hessian
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enzyme: extend the composed-force Hessian test with the lambda force#22
krystophny wants to merge 12 commits into
constraint-force-kernelfrom
augmented-force-hessian

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What

Add the hybrid lambda force (lambda_force_kernel.h, #20) to the composed local
map g in local_force_hessian_test.cc and differentiate the combined
MHD-plus-lambda force density by forward and reverse Enzyme modes. The force
output grows from 12 to 16 blocks (the 12 MHD densities plus blmn_e/o,
clmn_e/o).

This proves the exact Jacobian J_g for the second nonlinear force-density term
of the augmented functional, not just the MHD force chain.

The third term, the spectral-condensation constraint force (#21), carries a
linear Fourier bandpass that couples modes; it is validated end-to-end against
the finite-difference HVP in the pybind exact-HVP path rather than in this
flat-buffer microtest.

Verification

Built with clang-21 + Enzyme:

exact Hessian of VMEC local force map (MHD + lambda kernels)
  geom dofs=3456  force outputs=3072
  reverse dL.v vs finite-diff : 2.55e-08
  forward dL.v vs finite-diff : 2.55e-08
  forward / reverse agreement : 4.06e-15

Forward and reverse agree to machine precision and both match central finite
differences to the FD step floor.

Stacked on #21.

Add the hybrid lambda force (lambda_force_kernel.h) to the composed local
map g and differentiate the combined MHD-plus-lambda force density by
forward and reverse Enzyme modes. This proves J_g for the second nonlinear
force-density term, not just the MHD force chain.

The spectral-condensation constraint force also carries a linear Fourier
bandpass; it is validated end-to-end against the finite-difference HVP in
the pybind exact-HVP path rather than in this flat-buffer microtest.
The 'Compare benchmark result' step uses github-action-benchmark with
comment-on-alert and the GITHUB_TOKEN, which is read-only for pull requests from
forks -> 'Resource not accessible by integration'. Gate that step on the PR
coming from the same repo so fork PRs still run the benchmarks but skip the
write-back instead of failing.
The pinned vmec-0.0.6 cp310 wheel was f90wrapped against numpy 1.x. Under
the numpy 2.x that the test env now resolves, importing it dies in the
f90wrap array interface (f90wrap_vmec_input__array__rbc: 0-th dimension
must be fixed to 2 but got 4), so test_ensure_vmec2000_input_from_vmecpp_input
could never actually run on CI (and is currently red on main too, where the
wheel's runtime libs are not even installed).

Build VMEC2000 from upstream source with current f90wrap, which produces
numpy-2-compatible bindings. The recipe mirrors SIMSOPT's own CI
(hiddenSymmetries/VMEC2000, cmake/machines/ubuntu.json). An explicit
'import vmec' check in the install step surfaces any remaining problem here
rather than as a confusing test failure.
With VMEC2000 built from current upstream source, the compatibility test
runs for the first time and hits vmecpp indata fields that have no
counterpart in the legacy VMEC2000 INDATA namelist (e.g.
free_boundary_method), which raised AttributeError. The test explicitly
checks only the common subset, so guard the lookup with hasattr and skip
fields VMEC2000 does not have, instead of enumerating them one by one.
…mit pin

Bring this stack branch up to the corrected CI baseline (from proximafusion#583/proximafusion#564):
- tests.yaml: build VMEC2000 from the pinned source commit and cache the
  wheel; drop the unused FFTW/HDF5 dev packages.
- benchmarks.yaml: skip the result upload on fork PRs (read-only token).
- test_simsopt_compat.py: skip vmecpp-only INDATA fields.
- CMakeLists: pin abseil to the 20260107.1 commit hash, not the tag.
…hmark fork guard (proximafusion#564)

* build: bump CMake abseil pin to 20260107.1 for Clang >= 21

The CMake FetchContent abseil pin (2024-08) fails to compile under
Clang >= 21: absl::Nonnull SFINAE in absl/strings/ascii.cc and the
numbers.cc nullability annotations are rejected by the newer frontend.
Bump to the 20260107.1 LTS, which compiles cleanly under Clang 21.1.8
and GCC. Clang is the compiler required for the Enzyme autodiff build.

The Bazel build keeps its own (BCR) abseil pin and is unaffected.

* ci: skip benchmark result upload on fork PRs (token is read-only)

The 'Compare benchmark result' step uses github-action-benchmark with
comment-on-alert and the GITHUB_TOKEN, which is read-only for pull requests from
forks -> 'Resource not accessible by integration'. Gate that step on the PR
coming from the same repo so fork PRs still run the benchmarks but skip the
write-back instead of failing.

* ci: build VMEC2000 from source so the compat test runs on numpy 2

The pinned vmec-0.0.6 cp310 wheel was f90wrapped against numpy 1.x. Under
the numpy 2.x that the test env now resolves, importing it dies in the
f90wrap array interface (f90wrap_vmec_input__array__rbc: 0-th dimension
must be fixed to 2 but got 4), so test_ensure_vmec2000_input_from_vmecpp_input
could never actually run on CI (and is currently red on main too, where the
wheel's runtime libs are not even installed).

Build VMEC2000 from upstream source with current f90wrap, which produces
numpy-2-compatible bindings. The recipe mirrors SIMSOPT's own CI
(hiddenSymmetries/VMEC2000, cmake/machines/ubuntu.json). An explicit
'import vmec' check in the install step surfaces any remaining problem here
rather than as a confusing test failure.

* test: skip vmecpp-only indata fields in the VMEC2000 compat subset

With VMEC2000 built from current upstream source, the compatibility test
runs for the first time and hits vmecpp indata fields that have no
counterpart in the legacy VMEC2000 INDATA namelist (e.g.
free_boundary_method), which raised AttributeError. The test explicitly
checks only the common subset, so guard the lookup with hasattr and skip
fields VMEC2000 does not have, instead of enumerating them one by one.

* build: pin abseil to the 20260107.1 commit hash

Pin the FetchContent abseil dependency to commit 255c84d (the exact
commit behind the 20260107.1 LTS tag) instead of the tag itself, so a
moved tag cannot change the dependency under us.

* ci: cache and pin the VMEC2000-from-source build

Use the canonical recipe (cache the built wheel keyed on the pinned
source commit 728af8b, drop the unused FFTW/HDF5 dev packages) instead
of rebuilding VMEC2000 unpinned on every run.
The allocation-free rewrite placed tempR_seg/tempZ_seg in a block-scope
thread_local inside the (jF, m, zeta) inner loop, which emits a
__tls_get_addr call and an init-guard branch every iteration. Declare
the two scratch vectors once at function scope instead: still
allocation-free in the hot loop and per-thread safe via the stack frame,
without the per-iteration TLS overhead. Same arithmetic; cma and w7x
wout are bit-for-bit unchanged.
Raw double* kernel params over the same flat layout prevent the compiler
from vectorizing the pointwise loop (assumed aliasing), so on w7x these
kernels ran ~2x slower than the Eigen-expression code they replaced.
The buffers never overlap; mark them __restrict to restore SIMD. Enzyme
derivatives are unchanged (jacobian_kernel_autodiff + QS GN benchmark).
The free-boundary in-memory-vs-disk mgrid golden compares two independent
solves. jcuru/jcurv are curl(B) current densities that amplify the rounding
of the converged state, so under vectorized/optimized builds the two paths
diverge by ~1.03e-7 (measured on the CI asan/ubsan runners) while every other
wout quantity still agrees to 1e-7. The math is unchanged: with vs without the
kernel __restrict the cth_like wout is bit-for-bit identical on gcc Release, so
this is an FP-ordering reproducibility floor, not an accuracy regression.

Add an opt-in current_density_tolerance to CompareWOut (default 0 = use the
main tolerance, so every other caller is unchanged) and have the two
vmec_in_memory_mgrid_test comparisons pass 2e-7 for jcuru/jcurv only, keeping
1e-7 for all profiles and geometry.

(cherry picked from commit 27d36d2)
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