bump dependency versions

opencl_fdfd/__init__.py

@@ -37,7 +37,7 @@
     - jinja2
 """
 
-from .main import cg_solver
+from .main import cg_solver as cg_solver
 
 __author__ = 'Jan Petykiewicz'
 __version__ = '0.4'

opencl_fdfd/csr.py

@@ -14,23 +14,23 @@ satisfy the constraints for the 'conjugate gradient' algorithm
 (positive definite, symmetric) and some that don't.
 """
 
-from typing import Dict, Any, Optional
+from typing import Any, TYPE_CHECKING
 import time
 import logging
 
 import numpy
 from numpy.typing import NDArray, ArrayLike
 from numpy.linalg import norm
+from numpy import complexfloating
 import pyopencl
 import pyopencl.array
-import scipy
-
 import meanas.fdfd.solvers
 
 from . import ops
 
+if TYPE_CHECKING:
+    import scipy
 
-__author__ = 'Jan Petykiewicz'
 
 logger = logging.getLogger(__name__)
 
@@ -58,9 +58,9 @@ def cg(
         b: ArrayLike,
         max_iters: int = 10000,
         err_threshold: float = 1e-6,
-        context: Optional[pyopencl.Context] = None,
+        context: pyopencl.Context | None = None,
-        queue: Optional[pyopencl.CommandQueue] = None,
+        queue: pyopencl.CommandQueue | None = None,
-        ) -> NDArray:
+        ) -> NDArray[complexfloating]:
     """
     General conjugate-gradient solver for sparse matrices, where A @ x = b.
 
@@ -84,10 +84,10 @@ def cg(
     if queue is None:
         queue = pyopencl.CommandQueue(context)
 
-    def load_field(v, dtype=numpy.complex128):
+    def load_field(v: NDArray[numpy.complexfloating], dtype: type = numpy.complex128) -> pyopencl.array.Array:
         return pyopencl.array.to_device(queue, v.astype(dtype))
 
-    r = load_field(b)
+    r = load_field(numpy.asarray(b))
     x = pyopencl.array.zeros_like(r)
     v = pyopencl.array.zeros_like(r)
     p = pyopencl.array.zeros_like(r)
@@ -98,18 +98,18 @@ def cg(
 
     m = CSRMatrix(queue, A)
 
-    '''
+    #
-    Generate OpenCL kernels
+    # Generate OpenCL kernels
-    '''
+    #
     a_step = ops.create_a_csr(context)
     xr_step = ops.create_xr_step(context)
     rhoerr_step = ops.create_rhoerr_step(context)
     p_step = ops.create_p_step(context)
     dot = ops.create_dot(context)
 
-    '''
+    #
-    Start the solve
+    # Start the solve
-    '''
+    #
     start_time2 = time.perf_counter()
 
     _, err2 = rhoerr_step(r, [])
@@ -139,9 +139,9 @@ def cg(
         if k % 1000 == 0:
             logger.info(f'iteration {k}')
 
-    '''
+    #
-    Done solving
+    # Done solving
-    '''
+    #
     time_elapsed = time.perf_counter() - start_time
 
     x = x.get()
@@ -160,9 +160,9 @@ def cg(
 
 
 def fdfd_cg_solver(
-        solver_opts: Optional[Dict[str, Any]] = None,
+        solver_opts: dict[str, Any] | None = None,
-        **fdfd_args
+        **fdfd_args,
-        ) -> NDArray:
+        ) -> NDArray[complexfloating]:
     """
     Conjugate gradient FDFD solver using CSR sparse matrices, mainly for
      testing and development since it's much slower than the solver in main.py.

opencl_fdfd/main.py

@@ -5,14 +5,13 @@ This file holds the default FDFD solver, which uses an E-field wave
 operator implemented directly as OpenCL arithmetic (rather than as
 a matrix).
 """
-
-from typing import List, Optional, cast
 import time
 import logging
 
 import numpy
 from numpy.typing import NDArray, ArrayLike
 from numpy.linalg import norm
+from numpy import floating, complexfloating
 import pyopencl
 import pyopencl.array
 
@@ -21,23 +20,21 @@ import meanas.fdfd.operators
 from . import ops
 
 
-__author__ = 'Jan Petykiewicz'
-
 logger = logging.getLogger(__name__)
 
 
 def cg_solver(
         omega: complex,
-        dxes: List[List[NDArray]],
+        dxes: list[list[NDArray[floating | complexfloating]]],
         J: ArrayLike,
         epsilon: ArrayLike,
-        mu: Optional[ArrayLike] = None,
+        mu: ArrayLike | None = None,
-        pec: Optional[ArrayLike] = None,
+        pec: ArrayLike | None = None,
-        pmc: Optional[ArrayLike] = None,
+        pmc: ArrayLike | None = None,
         adjoint: bool = False,
         max_iters: int = 40000,
         err_threshold: float = 1e-6,
-        context: Optional[pyopencl.Context] = None,
+        context: pyopencl.Context | None = None,
         ) -> NDArray:
     """
     OpenCL FDFD solver using the iterative conjugate gradient (cg) method
@@ -71,7 +68,7 @@ def cg_solver(
 
     shape = [dd.size for dd in dxes[0]]
 
-    b = -1j * omega * numpy.array(J, copy=False)
+    b = -1j * omega * numpy.asarray(J)
 
     '''
         ** In this comment, I use the following notation:
@@ -100,7 +97,8 @@ def cg_solver(
         We can accomplish all this simply by conjugating everything (except J) and
          reversing the order of L and R
     '''
-    epsilon = numpy.array(epsilon, copy=False)
+    epsilon = numpy.asarray(epsilon)
+
     if adjoint:
         # Conjugate everything
         dxes = [[numpy.conj(dd) for dd in dds] for dds in dxes]
@@ -108,23 +106,20 @@ def cg_solver(
         epsilon = numpy.conj(epsilon)
         if mu is not None:
             mu = numpy.conj(mu)
+    assert isinstance(epsilon, NDArray[floating] | NDArray[complexfloating])
 
     L, R = meanas.fdfd.operators.e_full_preconditioners(dxes)
+    b_preconditioned = (R if adjoint else L) @ b
 
-    if adjoint:
+    #
-        b_preconditioned = R @ b
+    # Allocate GPU memory and load in data
-    else:
+    #
-        b_preconditioned = L @ b
-
-    '''
-        Allocate GPU memory and load in data
-    '''
     if context is None:
         context = pyopencl.create_some_context(interactive=True)
 
     queue = pyopencl.CommandQueue(context)
 
-    def load_field(v, dtype=numpy.complex128):
+    def load_field(v: NDArray[complexfloating | floating], dtype: type = numpy.complex128) -> pyopencl.array.Array:
         return pyopencl.array.to_device(queue, v.astype(dtype))
 
     r = load_field(b_preconditioned)  # load preconditioned b into r
@@ -137,31 +132,31 @@ def cg_solver(
     rho = 1.0 + 0j
     errs = []
 
-    inv_dxes = [[load_field(1 / numpy.array(dd, copy=False)) for dd in dds] for dds in dxes]
+    inv_dxes = [[load_field(1 / numpy.asarray(dd)) for dd in dds] for dds in dxes]
-    oeps = load_field(-omega ** 2 * epsilon)
+    oeps = load_field(-omega * omega * epsilon)
     Pl = load_field(L.diagonal())
     Pr = load_field(R.diagonal())
 
     if mu is None:
         invm = load_field(numpy.array([]))
     else:
-        invm = load_field(1 / numpy.array(mu, copy=False))
+        invm = load_field(1 / numpy.asarray(mu))
-        mu = numpy.array(mu, copy=False)
+        mu = numpy.asarray(mu)
 
     if pec is None:
         gpec = load_field(numpy.array([]), dtype=numpy.int8)
     else:
-        gpec = load_field(numpy.array(pec, dtype=bool, copy=False), dtype=numpy.int8)
+        gpec = load_field(numpy.asarray(pec, dtype=bool), dtype=numpy.int8)
 
     if pmc is None:
         gpmc = load_field(numpy.array([]), dtype=numpy.int8)
     else:
-        gpmc = load_field(numpy.array(pmc, dtype=bool, copy=False), dtype=numpy.int8)
+        gpmc = load_field(numpy.asarray(pmc, dtype=bool), dtype=numpy.int8)
 
-    '''
+    #
-    Generate OpenCL kernels
+    # Generate OpenCL kernels
-    '''
+    #
-    has_mu, has_pec, has_pmc = [q is not None for q in (mu, pec, pmc)]
+    has_mu, has_pec, has_pmc = (qq is not None for qq in (mu, pec, pmc))
 
     a_step_full = ops.create_a(context, shape, has_mu, has_pec, has_pmc)
     xr_step = ops.create_xr_step(context)
@@ -169,12 +164,17 @@ def cg_solver(
     p_step = ops.create_p_step(context)
     dot = ops.create_dot(context)
 
-    def a_step(E, H, p, events):
+    def a_step(
+            E: pyopencl.array.Array,
+            H: pyopencl.array.Array,
+            p: pyopencl.array.Array,
+            events: list[pyopencl.Event],
+            ) -> list[pyopencl.Event]:
         return a_step_full(E, H, p, inv_dxes, oeps, invm, gpec, gpmc, Pl, Pr, events)
 
-    '''
+    #
-    Start the solve
+    # Start the solve
-    '''
+    #
     start_time2 = time.perf_counter()
 
     _, err2 = rhoerr_step(r, [])
@@ -207,16 +207,13 @@ def cg_solver(
         if k % 1000 == 0:
             logger.info(f'iteration {k}')
 
-    '''
+    #
-    Done solving
+    # Done solving
-    '''
+    #
     time_elapsed = time.perf_counter() - start_time
 
     # Undo preconditioners
-    if adjoint:
+    x = ((Pl if adjoint else Pr) * x).get()
-        x = (Pl * x).get()
-    else:
-        x = (Pr * x).get()
 
     if success:
         logger.info('Solve success')

opencl_fdfd/ops.py

@@ -7,11 +7,11 @@ kernels for use by the other solvers.
 See kernels/ for any of the .cl files loaded in this file.
 """
 
-from typing import List, Callable, Union, Type, Sequence, Optional, Tuple
+from collections.abc import Callable, Sequence
 import logging
 
 import numpy
-from numpy.typing import NDArray, ArrayLike
+from numpy.typing import ArrayLike
 import jinja2
 
 import pyopencl
@@ -20,17 +20,25 @@ from pyopencl.elementwise import ElementwiseKernel
 from pyopencl.reduction import ReductionKernel
 
 
+from .csr import CSRMatrix
+
+
 logger = logging.getLogger(__name__)
 
+
+class FDFDError(Exception):
+    """ Custom error for opencl_fdfd """
+    pass
+
 # Create jinja2 env on module load
 jinja_env = jinja2.Environment(loader=jinja2.PackageLoader(__name__, 'kernels'))
 
 # Return type for the create_opname(...) functions
-operation = Callable[..., List[pyopencl.Event]]
+operation = Callable[..., list[pyopencl.Event]]
 
 
 def type_to_C(
-        float_type: Type,
+        float_type: type[numpy.floating | numpy.complexfloating],
         ) -> str:
     """
     Returns a string corresponding to the C equivalent of a numpy type.
@@ -49,29 +57,30 @@ def type_to_C(
         numpy.complex128: 'cdouble_t',
     }
     if float_type not in types:
-        raise Exception('Unsupported type')
+        raise FDFDError('Unsupported type')
 
     return types[float_type]
 
+
 # Type names
 ctype = type_to_C(numpy.complex128)
 ctype_bare = 'cdouble'
 
 # Preamble for all OpenCL code
-preamble = '''
+preamble = f'''
 #define PYOPENCL_DEFINE_CDOUBLE
 #include <pyopencl-complex.h>
 
 //Defines to clean up operation and type names
-#define ctype {ctype}_t
+#define ctype {ctype_bare}_t
-#define zero {ctype}_new(0.0, 0.0)
+#define zero {ctype_bare}_new(0.0, 0.0)
-#define add {ctype}_add
+#define add {ctype_bare}_add
-#define sub {ctype}_sub
+#define sub {ctype_bare}_sub
-#define mul {ctype}_mul
+#define mul {ctype_bare}_mul
-'''.format(ctype=ctype_bare)
+'''
 
 
-def ptrs(*args: str) -> List[str]:
+def ptrs(*args: str) -> list[str]:
     return [ctype + ' *' + s for s in args]
 
 
@@ -120,9 +129,9 @@ def create_a(
     des = [ctype + ' *inv_de' + a for a in 'xyz']
     dhs = [ctype + ' *inv_dh' + a for a in 'xyz']
 
-    '''
+    #
-    Convert p to initial E (ie, apply right preconditioner and PEC)
+    # Convert p to initial E (ie, apply right preconditioner and PEC)
-    '''
+    #
     p2e_source = jinja_env.get_template('p2e.cl').render(pec=pec)
     P2E_kernel = ElementwiseKernel(
         context,
@@ -132,9 +141,9 @@ def create_a(
         arguments=', '.join(ptrs('E', 'p', 'Pr') + pec_arg),
         )
 
-    '''
+    #
-    Calculate intermediate H from intermediate E
+    # Calculate intermediate H from intermediate E
-    '''
+    #
     e2h_source = jinja_env.get_template('e2h.cl').render(
         mu=mu,
         pmc=pmc,
@@ -148,9 +157,9 @@ def create_a(
         arguments=', '.join(ptrs('E', 'H', 'inv_mu') + pmc_arg + des),
         )
 
-    '''
+    #
-    Calculate final E (including left preconditioner)
+    # Calculate final E (including left preconditioner)
-    '''
+    #
     h2e_source = jinja_env.get_template('h2e.cl').render(
         pec=pec,
         common_cl=common_source,
@@ -169,13 +178,13 @@ def create_a(
             p: pyopencl.array.Array,
             idxes: Sequence[Sequence[pyopencl.array.Array]],
             oeps: pyopencl.array.Array,
-            inv_mu: Optional[pyopencl.array.Array],
+            inv_mu: pyopencl.array.Array | None,
-            pec: Optional[pyopencl.array.Array],
+            pec: pyopencl.array.Array | None,
-            pmc: Optional[pyopencl.array.Array],
+            pmc: pyopencl.array.Array | None,
             Pl: pyopencl.array.Array,
             Pr: pyopencl.array.Array,
-            e: List[pyopencl.Event],
+            e: list[pyopencl.Event],
-            ) -> List[pyopencl.Event]:
+            ) -> list[pyopencl.Event]:
         e2 = P2E_kernel(E, p, Pr, pec, wait_for=e)
         e2 = E2H_kernel(E, H, inv_mu, pmc, *idxes[0], wait_for=[e2])
         e2 = H2E_kernel(E, H, oeps, Pl, pec, *idxes[1], wait_for=[e2])
@@ -227,14 +236,14 @@ def create_xr_step(context: pyopencl.Context) -> operation:
             r: pyopencl.array.Array,
             v: pyopencl.array.Array,
             alpha: complex,
-            e: List[pyopencl.Event],
+            e: list[pyopencl.Event],
-            ) -> List[pyopencl.Event]:
+            ) -> list[pyopencl.Event]:
         return [xr_kernel(x, p, r, v, alpha, wait_for=e)]
 
     return xr_update
 
 
-def create_rhoerr_step(context: pyopencl.Context) -> Callable[..., Tuple[complex, complex]]:
+def create_rhoerr_step(context: pyopencl.Context) -> Callable[..., tuple[complex, complex]]:
     """
     Return a function
      ri_update(r, e)
@@ -272,9 +281,9 @@ def create_rhoerr_step(context: pyopencl.Context) -> Callable[..., Tuple[complex
         arguments=ctype + ' *r',
         )
 
-    def ri_update(r: pyopencl.array.Array, e: List[pyopencl.Event]) -> Tuple[complex, complex]:
+    def ri_update(r: pyopencl.array.Array, e: list[pyopencl.Event]) -> tuple[complex, complex]:
         g = ri_kernel(r, wait_for=e).astype(ri_dtype).get()
-        rr, ri, ii = [g[q] for q in 'xyz']
+        rr, ri, ii = (g[qq] for qq in 'xyz')
         rho = rr + 2j * ri - ii
         err = rr + ii
         return rho, err
@@ -315,7 +324,7 @@ def create_p_step(context: pyopencl.Context) -> operation:
             p: pyopencl.array.Array,
             r: pyopencl.array.Array,
             beta: complex,
-            e: List[pyopencl.Event]) -> List[pyopencl.Event]:
+            e: list[pyopencl.Event]) -> list[pyopencl.Event]:
         return [p_kernel(p, r, beta, wait_for=e)]
 
     return p_update
@@ -350,7 +359,7 @@ def create_dot(context: pyopencl.Context) -> Callable[..., complex]:
     def dot(
             p: pyopencl.array.Array,
             v: pyopencl.array.Array,
-            e: List[pyopencl.Event],
+            e: list[pyopencl.Event],
             ) -> complex:
         g = dot_kernel(p, v, wait_for=e)
         return g.get()
@@ -406,11 +415,11 @@ def create_a_csr(context: pyopencl.Context) -> operation:
         )
 
     def spmv(
-            v_out,
+            v_out: pyopencl.array.Array,
-            m,
+            m: CSRMatrix,
-            v_in,
+            v_in: pyopencl.array.Array,
-            e: List[pyopencl.Event],
+            e: list[pyopencl.Event],
-            ) -> List[pyopencl.Event]:
+            ) -> list[pyopencl.Event]:
         return [spmv_kernel(v_out, m.row_ptr, m.col_ind, m.data, v_in, wait_for=e)]
 
     return spmv

pyproject.toml

@@ -35,10 +35,10 @@ classifiers = [
     "License :: OSI Approved :: GNU Affero General Public License v3",
     "Topic :: Scientific/Engineering",
     ]
-requires-python = ">=3.8"
+requires-python = ">=3.11"
 dynamic = ["version"]
 dependencies = [
-    "numpy~=1.21",
+    "numpy>=1.26",
     "pyopencl",
     "jinja2",
     "meanas>=0.5",
@@ -46,3 +46,51 @@ dependencies = [
 
 [tool.hatch.version]
 path = "opencl_fdfd/__init__.py"
+
+
+[tool.ruff]
+exclude = [
+    ".git",
+    "dist",
+    ]
+line-length = 145
+indent-width = 4
+lint.dummy-variable-rgx = "^(_+|(_+[a-zA-Z0-9_]*[a-zA-Z0-9]+?))$"
+lint.select = [
+    "NPY", "E", "F", "W", "B", "ANN", "UP", "SLOT", "SIM", "LOG",
+    "C4", "ISC", "PIE", "PT", "RET", "TCH", "PTH", "INT",
+    "ARG", "PL", "R", "TRY",
+    "G010", "G101", "G201", "G202",
+    "Q002", "Q003", "Q004",
+    ]
+lint.ignore = [
+    #"ANN001",   # No annotation
+    "ANN002",   # *args
+    "ANN003",   # **kwargs
+    "ANN401",   # Any
+    "ANN101",   # self: Self
+    "SIM108",   # single-line if / else assignment
+    "RET504",   # x=y+z; return x
+    "PIE790",   # unnecessary pass
+    "ISC003",   # non-implicit string concatenation
+    "C408",     # dict(x=y) instead of {'x': y}
+    "PLR09",    # Too many xxx
+    "PLR2004",  # magic number
+    "PLC0414",  # import x as x
+    "TRY003",   # Long exception message
+    ]
+
+
+[[tool.mypy.overrides]]
+module = [
+    "scipy",
+    "scipy.optimize",
+    "scipy.linalg",
+    "scipy.sparse",
+    "scipy.sparse.linalg",
+    "pyopencl",
+    "pyopencl.array",
+    "pyopencl.elementwise",
+    "pyopencl.reduction",
+    ]
+ignore_missing_imports = true