beta-parameterization 2.3.3__tar.gz

beta_parameterization-2.3.3/.gitignore

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+# Build directories
+build/
+cmake-build-*/
+bin/
+lib/
+
+# Local wheel build artifacts
+dist_raw/
+wheelhouse/
+*.whl
+dist_sdist/
+dist/
+
+# Fortran compiled files
+*.o
+*.mod
+*.smod
+*.a
+*.so
+*.exe
+
+# Generated documentation
+doc/
+docs/
+**/doc/
+deployment/docs-deploy/
+deployment/docs-fixed/
+netlify-docs/
+
+# But keep the auth configuration template
+!deployment/docs/netlify/
+
+# Output and data files
+*.dat
+*.out
+*.log
+results/
+output/
+*.hdf5
+*.nc
+
+# IDE files
+.idea/workspace.xml
+.idea/tasks.xml
+.idea/usage.statistics.xml
+.idea/shelf/
+.vscode/
+*.swp
+*~
+
+# Python
+__pycache__/
+*.pyc
+*.pyo
+.pytest_cache/
+*.egg-info/
+
+# System files
+.DS_Store
+Thumbs.db
+*.bak
+*.tmp
+
+# Large test files (add specific patterns)
+test_data_large/
+benchmark_results/
+
+# Environment
+.env
+venv/
+env/
+
+# Slurm files (optional - depends on your needs)
+slurm-*.out
+*.sbatch.log
+
+# Backup files
+*.backup
+
+# AI files
+GEMINI.md
+CLAUDE.local.md

beta_parameterization-2.3.3/CMakeLists.txt

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+cmake_minimum_required(VERSION 3.20)
+
+include(FetchContent)
+
+project(beta-parameterization
+        VERSION 2.3.3
+        LANGUAGES Fortran CXX
+        DESCRIPTION "Beta parameterization for nuclear physics applications"
+)
+
+set(CMAKE_CXX_STANDARD 20)
+set(CMAKE_CXX_STANDARD_REQUIRED ON)
+set(CMAKE_CXX_EXTENSIONS OFF)
+
+# --- Fetch GCC compiler options package ---
+FetchContent_Declare(
+        GCC-Compiler-Options
+        GIT_REPOSITORY https://github.com/AleksanderAugustyn/GCC-Compiler-Options.git
+        GIT_TAG 1.6.0
+)
+FetchContent_MakeAvailable(GCC-Compiler-Options)
+
+# --- Fetch foundational Fortran modules ---
+FetchContent_Declare(
+        Fortran-Foundations
+        GIT_REPOSITORY https://github.com/AleksanderAugustyn/Fortran-Foundations.git
+        GIT_TAG 2.3.1
+)
+FetchContent_MakeAvailable(Fortran-Foundations)
+
+# --- Preprocessor & build type ---
+set(CMAKE_Fortran_PREPROCESS ON)
+if (NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CONFIGURATION_TYPES)
+    set(CMAKE_BUILD_TYPE "Release" CACHE STRING "Build type" FORCE)
+    set_property(CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS "Debug" "RelWithDebInfo" "Release")
+endif ()
+
+# --- Compiler flags via GCC-Compiler-Options ---
+include(GCCCompilerOptions/FortranCompilerOptions)
+create_fortran_library_interface(TARGET beta_parameterization_flags)
+
+# --- Source files ---
+set(BETA_PARAM_SOURCES
+        src/beta_parameterization_workers_mod.f08
+        src/beta_parameterization_mod.f08
+        src/beta_parameterization_c_api_mod.f08
+)
+
+# --- Static library target ---
+add_library(beta_parameterization STATIC ${BETA_PARAM_SOURCES})
+target_link_libraries(beta_parameterization
+        PUBLIC fortran_foundations
+        PRIVATE beta_parameterization_flags
+)
+target_compile_definitions(beta_parameterization PRIVATE
+        $<$<CONFIG:Debug>:DEBUG>
+        $<$<CONFIG:RelWithDebInfo>:RELWITHDEBINFO>
+        $<$<CONFIG:Release>:RELEASE>
+)
+set_target_properties(beta_parameterization PROPERTIES
+        Fortran_MODULE_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/mod_files
+)
+target_include_directories(beta_parameterization
+        PUBLIC
+        $<BUILD_INTERFACE:${CMAKE_CURRENT_BINARY_DIR}/mod_files>
+        $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>
+)
+add_library(BetaParameterization::beta_parameterization ALIAS beta_parameterization)
+
+# --- Shared library target (for FFI consumers: Python ctypes, Rust, etc.) ---
+add_library(beta_parameterization_shared SHARED ${BETA_PARAM_SOURCES})
+target_link_libraries(beta_parameterization_shared
+        PUBLIC fortran_foundations
+        PRIVATE beta_parameterization_flags
+)
+target_compile_definitions(beta_parameterization_shared PRIVATE
+        $<$<CONFIG:Debug>:DEBUG>
+        $<$<CONFIG:RelWithDebInfo>:RELWITHDEBINFO>
+        $<$<CONFIG:Release>:RELEASE>
+)
+set_target_properties(beta_parameterization_shared PROPERTIES
+        Fortran_MODULE_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/mod_files_shared
+        OUTPUT_NAME beta_parameterization
+)
+target_include_directories(beta_parameterization_shared
+        PUBLIC
+        $<BUILD_INTERFACE:${CMAKE_CURRENT_BINARY_DIR}/mod_files_shared>
+        $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>
+)
+add_library(BetaParameterization::beta_parameterization_shared
+        ALIAS beta_parameterization_shared)
+
+# --- C++ header-only wrapper (consumes the shared library) ---
+add_library(beta_parameterization_cxx INTERFACE)
+target_include_directories(beta_parameterization_cxx INTERFACE
+        $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+target_link_libraries(beta_parameterization_cxx INTERFACE
+        beta_parameterization_shared)
+target_compile_features(beta_parameterization_cxx INTERFACE cxx_std_20)
+add_library(BetaParameterization::beta_parameterization_cxx
+        ALIAS beta_parameterization_cxx)
+
+# --- Install the shared library into the Python package (wheel builds) ---
+install(TARGETS beta_parameterization_shared
+        LIBRARY DESTINATION beta_parameterization)
+
+# --- Tests (skipped for wheel builds via -DBETA_PARAM_BUILD_TESTS=OFF) ---
+option(BETA_PARAM_BUILD_TESTS "Build the Fortran/C++ test suite" ON)
+if (BETA_PARAM_BUILD_TESTS)
+    enable_testing()
+
+add_library(beta_param_test_utils STATIC tests/test_utils_mod.f08)
+target_link_libraries(beta_param_test_utils
+        PUBLIC fortran_foundations
+        PRIVATE beta_parameterization_flags)
+set_target_properties(beta_param_test_utils PROPERTIES
+        Fortran_MODULE_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/mod_files_tests)
+target_include_directories(beta_param_test_utils PUBLIC
+        $<BUILD_INTERFACE:${CMAKE_CURRENT_BINARY_DIR}/mod_files_tests>)
+
+set(BETA_PARAM_TEST_SUITES core com error breakdown golden node_set)
+foreach (suite IN LISTS BETA_PARAM_TEST_SUITES)
+    add_executable(beta_param_${suite}_test tests/beta_param_${suite}_test.f08)
+    target_link_libraries(beta_param_${suite}_test PRIVATE
+            beta_parameterization beta_param_test_utils beta_parameterization_flags)
+    set_target_properties(beta_param_${suite}_test PROPERTIES
+            Fortran_MODULE_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/mod_files_tests/${suite})
+    add_test(NAME ${suite} COMMAND beta_param_${suite}_test)
+endforeach ()
+
+# Golden literals carry 17 significant digits (exact double round-trip);
+# gfortran's conversion-extra warning flags the 17th digit as non-significant.
+# Source-file property so it lands after the flags-interface options (last wins).
+set_source_files_properties(tests/beta_param_golden_test.f08 PROPERTIES
+        COMPILE_OPTIONS "-Wno-conversion-extra;-Wno-error=conversion-extra")
+
+add_executable(golden_capture tests/golden_capture.f08)
+target_link_libraries(golden_capture PRIVATE
+        beta_parameterization beta_param_test_utils beta_parameterization_flags)
+set_target_properties(golden_capture PROPERTIES
+        Fortran_MODULE_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/mod_files_tests/capture)
+
+add_executable(c_api_smoke_test tests/c_api_smoke_test.cpp)
+target_link_libraries(c_api_smoke_test PRIVATE beta_parameterization_cxx)
+add_test(NAME c_api_smoke COMMAND c_api_smoke_test)
+
+find_package(Threads REQUIRED)
+add_executable(thread_stress_test tests/thread_stress_test.cpp)
+target_link_libraries(thread_stress_test PRIVATE beta_parameterization_cxx Threads::Threads)
+add_test(NAME thread_stress COMMAND thread_stress_test)
+
+endif ()

beta_parameterization-2.3.3/LICENSE

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+MIT License
+
+Copyright (c) 2026 Aleksander Augustyn
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

beta_parameterization-2.3.3/PKG-INFO

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+Metadata-Version: 2.4
+Name: beta-parameterization
+Version: 2.3.3
+Summary: Python bindings for the beta (Legendre) nuclear-shape parameterization library
+License-Expression: MIT
+License-File: LICENSE
+Requires-Python: >=3.9
+Requires-Dist: numpy>=1.21
+Provides-Extra: test
+Requires-Dist: pytest>=7; extra == "test"
+

beta_parameterization-2.3.3/ci/build-wheel.sh

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+#!/usr/bin/env bash
+# Build the manylinux2014 x86_64 wheel. Runs INSIDE
+# quay.io/pypa/manylinux2014_x86_64 (CentOS 7, devtoolset-10 GCC 10.2):
+#
+#   docker run --rm -v "$PWD":/io -w /io quay.io/pypa/manylinux2014_x86_64 ./ci/build-wheel.sh
+#
+# CI passes SETUPTOOLS_SCM_PRETEND_VERSION_FOR_<DIST> via -e; local runs fall
+# back to git describe. Identical local and CI by design.
+set -euxo pipefail
+
+PYBIN=/opt/python/cp312-cp312/bin
+gfortran --version | head -1
+
+# The bind-mounted repo belongs to the host user; git (setuptools_scm)
+# refuses to read it otherwise.
+git config --global --add safe.directory "$PWD"
+
+rm -rf dist_raw wheelhouse
+
+"$PYBIN/python" -m pip install --upgrade --quiet build
+# nehalem == the x86-64-v2 feature floor (SSE4.2+POPCNT, no AVX) in GCC-10
+# vocabulary: devtoolset-10 predates the psABI level names (GCC 11). Portable
+# down to the cluster's Haswell nodes; the libs cost 0.1-0.4 ms/call, so
+# portability wins over host-tuned codegen.
+"$PYBIN/python" -m build --wheel --outdir dist_raw \
+    -Ccmake.define.GCC_OPTS_MARCH=nehalem
+
+# --plat makes auditwheel fail loudly if any symbol exceeds glibc 2.17.
+auditwheel repair dist_raw/*.whl --plat manylinux2014_x86_64 -w wheelhouse
+
+# Wheel-floor guard: a regression to the host tag must fail the build.
+wheel_file=(wheelhouse/*.whl)
+case "$(basename "${wheel_file[0]}")" in
+    *manylinux_2_17_x86_64*|*manylinux2014_x86_64*)
+        echo "wheel floor OK: ${wheel_file[0]}" ;;
+    *)
+        echo "ERROR: wheel is not manylinux2014: ${wheel_file[0]}" >&2
+        exit 1 ;;
+esac

beta_parameterization-2.3.3/include/beta_parameterization.h

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+/**
+ * @file beta_parameterization.h
+ * @brief C API for the Fortran beta parameterization library (v2.2.0).
+ *
+ * Two-tier API:
+ *   - Cache-backed (recommended for batch use): create one cache up front,
+ *     reuse it across many shape evaluations. The cache is immutable after
+ *     creation and safe to share across threads.
+ *   - Standalone single-shape (one-off, inefficient for batch): builds and
+ *     discards a cache internally per call.
+ *
+ * All radius-grid functions return a status code; 0 (BETA_PARAM_VALID) means
+ * success. The message buffer is always null-terminated (truncated to fit
+ * if needed). Recommended buffer size: 256.
+ *
+ * Status-code notes:
+ *   BETA_PARAM_ERROR_INVALID_MAX_PARAMS (5) covers every invalid cache-init
+ *   parameter (max_beta_params outside [1, 64] or n_grid < 2), a NULL cache
+ *   handle passed to a compute function, and - through the standalone entry
+ *   points, where max_beta_params is taken as n_params - an empty params
+ *   array. On any failure, output buffers (radii, corrected_beta10) are
+ *   zero-filled.
+ *
+ * Thread safety:
+ *   A `beta_param_cache_t*` is immutable after `beta_param_cache_create`.
+ *   Multiple threads may concurrently call any combination of the
+ *   `beta_param_cache_compute_*` functions on the same cache. Only
+ *   `beta_param_cache_create` and `beta_param_cache_destroy` require
+ *   exclusive access.
+ */
+
+#ifndef BETA_PARAMETERIZATION_H
+#define BETA_PARAMETERIZATION_H
+
+#ifdef __cplusplus
+extern "C" {
+#endif
+
+/* --- Limits --- */
+#define BETA_PARAM_MAX_PARAMS_LIMIT 64
+
+/* --- Status codes (mirror Fortran LEGENDRE_* parameters) --- */
+#define BETA_PARAM_VALID                     0
+#define BETA_PARAM_ERROR_NORTH_POLE          1
+#define BETA_PARAM_ERROR_SOUTH_POLE          2
+#define BETA_PARAM_ERROR_EMPTY_PARAMS        3
+#define BETA_PARAM_ERROR_INTERIOR_NEGATIVE   4
+#define BETA_PARAM_ERROR_INVALID_MAX_PARAMS  5
+#define BETA_PARAM_ERROR_TOO_MANY_PARAMS     6
+#define BETA_PARAM_ERROR_COM_NOT_CONVERGED   7
+#define BETA_PARAM_ERROR_INVALID_BUFFER_SIZE 8
+#define BETA_PARAM_ERROR_POLE_NODE           9
+#define BETA_PARAM_ERROR_NO_UNIFORM_GRID     10
+
+/* --- Opaque cache handle --- */
+typedef struct beta_param_cache beta_param_cache_t;
+
+/* --- Opaque node-set handle (precomputed Legendre tables at fixed thetas) --- */
+typedef struct beta_param_node_set beta_param_node_set_t;
+
+/* --- Cache lifecycle --- */
+
+/**
+ * Create a cache. Returns NULL on failure (reason in message_buf).
+ *
+ * @param max_beta_params  1 .. BETA_PARAM_MAX_PARAMS_LIMIT
+ * @param n_grid           Number of θ grid points (>= 2). n_grid <= 0 builds a
+ *                         node-set-only cache: the uniform-grid entry points
+ *                         (beta_param_cache_compute_radius_grid[_with_com_shift])
+ *                         then return BETA_PARAM_ERROR_NO_UNIFORM_GRID; the
+ *                         node-set API is unaffected.
+ * @param message_buf_len  Size of message_buf including null terminator
+ * @param message_buf      Buffer to receive failure reason (empty on success)
+ */
+beta_param_cache_t* beta_param_cache_create(
+        int max_beta_params, int n_grid,
+        int message_buf_len, char* message_buf);
+
+/** Destroy a cache. Null-safe. */
+void beta_param_cache_destroy(beta_param_cache_t* cache);
+
+/* --- Cache hot path --- */
+
+/**
+ * Compute R(θ) on the cache's θ grid.
+ *
+ * @param cache            Cache (must be non-NULL)
+ * @param params           Deformation parameters β₁..βₙ
+ * @param n_params         Number of deformation parameters
+ * @param radii            Output buffer; must hold at least cache's n_grid doubles
+ * @param message_buf_len  Size of message_buf
+ * @param message_buf      Buffer to receive validation message (empty on success)
+ * @return                 BETA_PARAM_VALID (0) on success, error code otherwise
+ */
+int beta_param_cache_compute_radius_grid(
+        const beta_param_cache_t* cache,
+        const double* params, int n_params,
+        double* radii,
+        int message_buf_len, char* message_buf);
+
+/**
+ * Compute R(θ) with COM shift applied to β₁₀ first.
+ * `corrected_beta10` receives the post-shift β₁₀.
+ */
+int beta_param_cache_compute_radius_grid_with_com_shift(
+        const beta_param_cache_t* cache,
+        const double* params, int n_params,
+        double* radii, double* corrected_beta10,
+        int message_buf_len, char* message_buf);
+
+/* --- Node-set API (arbitrary thetas, R + analytic dR/dtheta) --- */
+
+/**
+ * Build a node set: precomputed Legendre P_k and P_k' tables at the given
+ * thetas, sized to the cache's max_beta_params. Returns NULL on failure
+ * (reason in message_buf) — including any pole node (theta where
+ * cos(theta)^2 == 1 in double precision), which is rejected with
+ * BETA_PARAM_ERROR_POLE_NODE; use the resolve_shape polar radii instead.
+ *
+ * Thread safety: a node set is immutable after create; multiple threads may
+ * concurrently pass it to beta_param_cache_compute_radius_and_derivative.
+ *
+ * @param cache            Cache the tables are sized to (must be non-NULL)
+ * @param thetas           Node angles in radians (need not be uniform)
+ * @param n_thetas         Number of nodes (>= 1)
+ * @param message_buf_len  Size of message_buf including null terminator
+ * @param message_buf      Buffer to receive failure reason (empty on success)
+ */
+beta_param_node_set_t* beta_param_node_set_create(
+        const beta_param_cache_t* cache, const double* thetas, int n_thetas,
+        int message_buf_len, char* message_buf);
+
+/** Destroy a node set. Null-safe. */
+void beta_param_node_set_destroy(beta_param_node_set_t* node_set);
+
+/**
+ * Resolve a shape once: pad + normalize params, run the COM iteration,
+ * polar pre-check. Node-set-independent — feed the resulting beta_con to
+ * beta_param_cache_compute_radius_and_derivative for any number of node sets.
+ * On failure all outputs are zero-filled.
+ *
+ * @param cache             Cache (must be non-NULL)
+ * @param params            Deformation parameters (beta10 is the COM dipole)
+ * @param n_params          Number of deformation parameters
+ * @param beta_con          Output; must hold at least the cache's max_beta_params doubles
+ * @param corrected_beta10  Receives the post-shift beta10
+ * @param r_north           Receives analytic R(0)
+ * @param r_south           Receives analytic R(pi)
+ * @param apply_com_correction  Nonzero (default behavior): run the COM
+ *                              iteration. Zero: skip it; corrected_beta10
+ *                              receives the input beta10 (no-COM semantics
+ *                              of beta_param_compute_radius_grid).
+ * @param message_buf_len   Size of message_buf
+ * @param message_buf       Buffer to receive validation message (empty on success)
+ * @return                  BETA_PARAM_VALID (0) on success, error code otherwise
+ */
+int beta_param_cache_resolve_shape(
+        const beta_param_cache_t* cache, const double* params, int n_params,
+        double* beta_con, double* corrected_beta10, double* r_north, double* r_south,
+        int apply_com_correction, int message_buf_len, char* message_buf);
+
+/**
+ * Evaluate R and dR/dtheta at a node set for a shape already resolved by
+ * beta_param_cache_resolve_shape. Dot products only — no iteration.
+ * On failure radii and dr_dtheta are zero-filled.
+ *
+ * @param cache            Cache (must be non-NULL)
+ * @param node_set         Node set built by this cache (must be non-NULL)
+ * @param beta_con         Resolved coefficients; n_beta_con must equal the
+ *                         cache's max_beta_params
+ * @param n_beta_con       Number of beta_con entries
+ * @param radii            Output R(theta_i); n_nodes doubles
+ * @param dr_dtheta        Output dR/dtheta(theta_i); n_nodes doubles
+ * @param n_nodes          Must equal the node set's node count
+ * @param message_buf_len  Size of message_buf
+ * @param message_buf      Buffer to receive validation message (empty on success)
+ * @return                 BETA_PARAM_VALID (0) on success, error code otherwise
+ */
+int beta_param_cache_compute_radius_and_derivative(
+        const beta_param_cache_t* cache, const beta_param_node_set_t* node_set,
+        const double* beta_con, int n_beta_con,
+        double* radii, double* dr_dtheta, int n_nodes,
+        int message_buf_len, char* message_buf);
+
+/* --- Standalone single-shape (one-off, inefficient for batch) ---
+ *
+ * Return BETA_PARAM_VALID (0) on success, an error code otherwise.
+ * max_beta_params is taken as n_params, so n_params must be in [1, 64]
+ * and n_grid >= 2; violations return BETA_PARAM_ERROR_INVALID_MAX_PARAMS.
+ * On failure, radii (and corrected_beta10) are zero-filled.
+ */
+
+int beta_param_compute_radius_grid_standalone(
+        const double* params, int n_params, int n_grid,
+        double* radii,
+        int message_buf_len, char* message_buf);
+
+int beta_param_compute_radius_grid_standalone_with_com_shift(
+        const double* params, int n_params, int n_grid,
+        double* radii, double* corrected_beta10,
+        int message_buf_len, char* message_buf);
+
+#ifdef __cplusplus
+}
+#endif
+
+#endif /* BETA_PARAMETERIZATION_H */