Support libsparseir v0.4.0

src/pylibsparseir/basis.py

@@ -13,7 +13,7 @@
 class FiniteTempBasis(AbstractBasis):
     """Finite temperature basis for intermediate representation."""
 
-    def __init__(self, statistics: str, beta: float, wmax: float, eps: float, sve_result: Optional[SVEResult] = None):
+    def __init__(self, statistics: str, beta: float, wmax: float, eps: float, sve_result: Optional[SVEResult] = None, max_size: int =-1):
         """
         Initialize finite temperature basis.
 
@@ -47,7 +47,7 @@ def __init__(self, statistics: str, beta: float, wmax: float, eps: float, sve_re
 
         # Create basis
         stats_int = STATISTICS_FERMIONIC if statistics == 'F' else STATISTICS_BOSONIC
-        self._ptr = basis_new(stats_int, self._beta, self._wmax, self._kernel._ptr, self._sve._ptr)
+        self._ptr = basis_new(stats_int, self._beta, self._wmax, self._kernel._ptr, self._sve._ptr, max_size)
 
         u_funcs = FunctionSet(basis_get_u(self._ptr))
         v_funcs = FunctionSet(basis_get_v(self._ptr))

src/pylibsparseir/constants.py

@@ -32,4 +32,8 @@
 
 # Make sure these are available at module level
 SPIR_ORDER_ROW_MAJOR = 0
-SPIR_ORDER_COLUMN_MAJOR = 1 
+SPIR_ORDER_COLUMN_MAJOR = 1
+
+# SVE Twork constants
+SPIR_TWORK_FLOAT64 = 0
+SPIR_TWORK_FLOAT64X2 = 1

src/pylibsparseir/core.py

@@ -10,7 +10,7 @@
 import numpy as np
 
 from .ctypes_wrapper import spir_kernel, spir_sve_result, spir_basis, spir_funcs, spir_sampling
-from .constants import COMPUTATION_SUCCESS, ORDER_ROW_MAJOR
+from .constants import COMPUTATION_SUCCESS, ORDER_ROW_MAJOR, SPIR_TWORK_FLOAT64, SPIR_TWORK_FLOAT64X2
 
 def _find_library():
     """Find the SparseIR shared library."""
@@ -68,7 +68,7 @@ def _setup_prototypes():
     _lib.spir_kernel_domain.restype = c_int
 
     # SVE result functions
-    _lib.spir_sve_result_new.argtypes = [spir_kernel, c_double, POINTER(c_int)]
+    _lib.spir_sve_result_new.argtypes = [spir_kernel, c_double, c_double, c_int, c_int, c_int, POINTER(c_int)]
     _lib.spir_sve_result_new.restype = spir_sve_result
 
     _lib.spir_sve_result_get_size.argtypes = [spir_sve_result, POINTER(c_int)]
@@ -79,7 +79,7 @@ def _setup_prototypes():
 
     # Basis functions
     _lib.spir_basis_new.argtypes = [
-        c_int, c_double, c_double, spir_kernel, spir_sve_result, POINTER(c_int)
+        c_int, c_double, c_double, spir_kernel, spir_sve_result, c_int, POINTER(c_int)
     ]
     _lib.spir_basis_new.restype = spir_basis
 
@@ -262,14 +262,23 @@ def reg_bose_kernel_new(lambda_val):
         raise RuntimeError(f"Failed to create regularized bosonic kernel: {status.value}")
     return kernel
 
-def sve_result_new(kernel, epsilon):
+def sve_result_new(kernel, epsilon, cutoff=None, lmax=None, n_gauss=None, Twork=None):
     """Create a new SVE result."""
     # Validate epsilon
     if epsilon <= 0:
         raise RuntimeError(f"Failed to create SVE result: epsilon must be positive, got {epsilon}")
 
+    if cutoff is None:
+        cutoff = -1.0
+    if lmax is None:
+        lmax = -1
+    if n_gauss is None:
+        n_gauss = -1
+    if Twork is None:
+        Twork = SPIR_TWORK_FLOAT64X2
+
     status = c_int()
-    sve = _lib.spir_sve_result_new(kernel, epsilon, byref(status))
+    sve = _lib.spir_sve_result_new(kernel, epsilon, cutoff, lmax, n_gauss, Twork, byref(status))
     if status.value != COMPUTATION_SUCCESS:
         raise RuntimeError(f"Failed to create SVE result: {status.value}")
     return sve
@@ -291,11 +300,11 @@ def sve_result_get_svals(sve):
         raise RuntimeError(f"Failed to get singular values: {status}")
     return svals
 
-def basis_new(statistics, beta, omega_max, kernel, sve):
+def basis_new(statistics, beta, omega_max, kernel, sve, max_size):
     """Create a new basis."""
     status = c_int()
     basis = _lib.spir_basis_new(
-        statistics, beta, omega_max, kernel, sve, byref(status)
+        statistics, beta, omega_max, kernel, sve, max_size, byref(status)
     )
     if status.value != COMPUTATION_SUCCESS:
         raise RuntimeError(f"Failed to create basis: {status.value}")