Merge pull request libprima#124 from nbelakovski/python_binding

Python bindings and profiles. Thank @nbelakovski for the huge efforts! This is a major milestone!

.github/actions/spelling/allow.txt

@@ -2052,6 +2052,7 @@ constrc
 execstack
 FUNPTR
 PROCPOINTER
+PYTHONPATH
 cfun
 cobj
 NVHPC
@@ -2190,6 +2191,71 @@ nosplash
 noopengl
 ogfile
 nend
+capfd
+cibuildwheel
+dtype
+dummybaseobject
+GIL
+maxcv
+myargs
+ndarray
+newfun
+NEWPYTHON
+nfev
+nlconstrlist
+nlcs
+pybind
+pypa
+pystr
+rtol
+scikit
+ucrt
+whl
+xlist
+ARCHS
+CIBW
+cibw
+rtools
+amd
+edgeitems
+printoptions
+maxfev
+testname
+skipif
+outerr
+libprimac
+libprimaf
+libprimafc
+htmlcov
+delocate
+broadcastable
+autoselection
+auditwheel
+Cbuild
+Ceditable
+asarray
+jac
+lstsq
+nanmax
+nanmin
+prepdfo
+rcond
+subcases
+newconstraint
+inear
+PYCUTEST
+pycutest
+excludelist
+slsqp
+optiprofiler
+manylinux
+Opti
+pathspec
+itemsize
+tcpclient
+tomemoryview
+scm
+nuj
 PARKCH
 TESTQUAD
 WAITALL

.github/workflows/build_python.yml

@@ -0,0 +1,61 @@
+name: Build python wheels
+
+on: [push, pull_request]
+
+jobs:
+  build_wheels:
+    name: Build wheels on ${{ matrix.os }}
+    runs-on: ${{ matrix.os }}
+    strategy:
+      matrix:
+        os: [ubuntu-20.04, windows-2019, macos-11]
+
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0  # Get tags for use with git describe
+
+      - name: Checkout pybind11 submodule
+        run: git submodule update --init python/pybind11
+
+      - uses: fortran-lang/setup-fortran@main
+        if: ${{ runner.os == 'macOS' }}
+        with:
+          compiler: gcc
+          version: 8
+
+      # Copied from https://github.com/scipy/scipy/blob/main/.github/workflows/wheels.yml
+      - name: win_amd64 - install rtools
+        run: |
+          # mingw-w64
+          choco install rtools -y --no-progress --force --version=4.0.0.20220206
+          echo "c:\rtools40\ucrt64\bin;" >> $env:GITHUB_PATH
+        if: ${{ runner.os == 'Windows' }}
+
+      - name: Build wheels
+        uses: pypa/[email protected]
+
+      - uses: actions/upload-artifact@v4
+        with:
+          name: cibw-wheels-${{ matrix.os }}-${{ strategy.job-index }}
+          path: ./wheelhouse/*.whl
+
+      - uses: actions/upload-artifact@v4
+        with:
+          name: coverage-report-${{ matrix.os }}-${{ strategy.job-index }}
+          path: ./prima_htmlcov
+
+
+  build_sdist:
+    name: Build source distribution
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Build sdist
+        run: pipx run build --sdist
+
+      - uses: actions/upload-artifact@v4
+        with:
+          name: cibw-sdist
+          path: dist/*.tar.gz

.gitignore

@@ -5,6 +5,7 @@ install/
 build/
 include/
 !c/include/
+!python/pybind11/include/
 lib/
 mod/
 
@@ -108,6 +109,7 @@ parts/
 sdist/
 var/
 wheels/
+wheelhouse
 share/python-wheels/
 *.egg-info/
 .installed.cfg
@@ -227,3 +229,6 @@ cython_debug/
 
 # Mac files
 .DS_Store
+
+# Version file
+_version.txt

.gitmodules

@@ -7,3 +7,6 @@
 [submodule ".development"]
 	path = .development
 	url = [email protected]:libprima/prima_development.git
+[submodule "python/pybind11"]
+	path = python/pybind11
+	url = https://github.com/pybind/pybind11

CMakeLists.txt

@@ -79,28 +79,59 @@ endif ()
 
 # Get the version number
 find_package(Git)
+set(IS_REPO FALSE)
 if(GIT_EXECUTABLE)
   # --always means git describe will output the commit hash if no tags are found
   # This is usually the case for forked repos since they do not clone tags by default.
   execute_process(COMMAND ${GIT_EXECUTABLE} describe --tags --always --dirty
     WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
     OUTPUT_VARIABLE PRIMA_VERSION
-    OUTPUT_STRIP_TRAILING_WHITESPACE)
-else()
-  # If git is not available, that may indicate we are building on macports which
-  # downloads the bundle from github (which uses git archive) and so the version
-  # number should be in .git-archival.txt
-  file(STRINGS .git-archival.txt PRIMA_VERSION)
-  if(PRIMA_VERSION MATCHES "describe")
-    message(WARNING "No git detected and .git-archival.txt does not contain a version number")
-    set(PRIMA_VERSION "unknown")
+    OUTPUT_STRIP_TRAILING_WHITESPACE
+    RESULT_VARIABLE GIT_RESULT ERROR_QUIET)
+  if (GIT_RESULT EQUAL 0)
+    set(IS_REPO TRUE)
+  endif()
+endif()
+if(NOT GIT_EXECUTABLE OR NOT IS_REPO)
+  # If git is not available, or this isn't a repo, that may indicate we are building
+  # on macports which downloads the bundle from github (which uses git archive) and
+  # so the version number should be in .git-archival.txt.
+  # Alternatively it might mean that we're building the Python bindings, in which case
+  # the version is output in _version.txt. I know, it's complicated. I don't make the rules.
+  if(EXISTS _version.txt)
+    file(STRINGS _version.txt PRIMA_VERSION)
+  else()
+    file(STRINGS .git-archival.txt PRIMA_VERSION)
+    if(PRIMA_VERSION MATCHES "describe")
+      message(WARNING "No git detected and .git-archival.txt does not contain a version number")
+      set(PRIMA_VERSION "unknown")
+    endif()
   endif()
 
 endif()
 # Remove the leading v from PRIMA_VERSION, if it contains one.
 string(REGEX REPLACE "^v" "" PRIMA_VERSION ${PRIMA_VERSION})
 message(STATUS "Setting PRIMA version to ${PRIMA_VERSION}")
 
+option (PRIMA_ENABLE_PYTHON "Python binding" OFF)
+if (PRIMA_ENABLE_PYTHON)
+  if(NOT PRIMA_ENABLE_C)
+    message(FATAL_ERROR "Building Python bindings requires C bindings. Please turn on PRIMA_ENABLE_C")
+  endif()
+  if(BUILD_SHARED_LIBS)
+    # This will include libprimaf, libprimafc, and libprimac into the compiled Python binding, removing the need
+    # to properly set the rpath or find those libraries at runtime.
+    # Even if we did make it successfully build with shared libraries, delocate/auditwheel will copy them into the
+    # bindings anyway
+    message(FATAL_ERROR "Building Python bindings requires static libraries. Please disable BUILD_SHARED_LIBS")
+  endif()
+  if(NOT CMAKE_Fortran_COMPILER_ID MATCHES "GNU")
+    message(WARNING "Compiling Python bindings with compilers other than GNU has not been tested and no support is planned at this time")
+  endif()
+  enable_language(CXX)
+  add_subdirectory(python)
+endif ()
+
 install(
     TARGETS primaf ${primac_target}
     EXPORT prima-targets

c/CMakeLists.txt

@@ -16,7 +16,12 @@ set_target_properties(primac PROPERTIES POSITION_INDEPENDENT_CODE ON C_STANDARD
 
 if (NOT BUILD_SHARED_LIBS)
   target_compile_definitions(primac PUBLIC PRIMAC_STATIC)
-  target_link_libraries (primac INTERFACE ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
+  # The line below caused issues when compiling prima_pybind on Windows with MinGW. We get errors
+  # about multiple definition of unwind_resume due to the inclusion of gcc_s.
+  # It's unclear why this was added as initial reason given in the issue (108) seems to work fine for me
+  if (NOT WIN32)
+    target_link_libraries (primac INTERFACE ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
+  endif()
 endif ()
 
 # Export symbols on Windows. See more comments in fortran/CMakeLists.txt.

c/include/prima/prima.h

@@ -69,9 +69,7 @@ typedef enum {
     PRIMA_NULL_X0 = 112,
     PRIMA_NULL_RESULT = 113,
     PRIMA_NULL_FUNCTION = 114,
-    PRIMA_PROBLEM_SOLVER_MISMATCH_NONLINEAR_CONSTRAINTS = 115,
-    PRIMA_PROBLEM_SOLVER_MISMATCH_LINEAR_CONSTRAINTS = 116,
-    PRIMA_PROBLEM_SOLVER_MISMATCH_BOUNDS = 117,
+    PRIMA_RESULT_INITIALIZED = 115,
 } prima_rc_t;
 
 
@@ -234,7 +232,7 @@ typedef struct {
     // of sqrt(machine epsilon) will be used.
     double ctol;
 
-    // data: user data, will be passed through the objective function callback
+    // data: user data, will be passed through the objective function
     // Default: NULL
     void *data;
 
@@ -272,7 +270,7 @@ typedef struct {
     int nf;
 
     // status: return code
-    int status;
+    prima_rc_t status;
 
     // message: exit message
     const char *message;
@@ -300,6 +298,10 @@ PRIMAC_API
 prima_rc_t prima_minimize(const prima_algorithm_t algorithm, const prima_problem_t problem, const prima_options_t options, prima_result_t *const result);
 
 
+// Function to check if PRIMA returned normally or ran into abnormal conditions
+PRIMAC_API
+bool prima_is_success(const prima_result_t result);
+
 #ifdef __cplusplus
 }
 #endif

c/prima.c

@@ -2,7 +2,7 @@
 
 
 #include "prima/prima.h"
-#include <limits.h>
+#include <float.h>
 #include <math.h>
 #include <stdio.h>
 #include <stdlib.h>
@@ -65,16 +65,6 @@ prima_rc_t prima_init_options(prima_options_t *const options)
 // Function to check whether the problem matches the algorithm
 prima_rc_t prima_check_problem(const prima_problem_t problem, const prima_algorithm_t algorithm)
 {
-    if (algorithm != PRIMA_COBYLA && (problem.calcfc || problem.nlconstr0 || problem.m_nlcon > 0))
-        return PRIMA_PROBLEM_SOLVER_MISMATCH_NONLINEAR_CONSTRAINTS;
-
-    if ((algorithm != PRIMA_COBYLA && algorithm != PRIMA_LINCOA) &&
-        (problem.m_ineq > 0 || problem.m_eq > 0 || problem.Aineq || problem.bineq || problem.Aeq || problem.beq))
-        return PRIMA_PROBLEM_SOLVER_MISMATCH_LINEAR_CONSTRAINTS;
-
-    if ((algorithm != PRIMA_COBYLA && algorithm != PRIMA_LINCOA && algorithm != PRIMA_BOBYQA) && (problem.xl || problem.xu))
-        return PRIMA_PROBLEM_SOLVER_MISMATCH_BOUNDS;
-
     if (!problem.x0)
         return PRIMA_NULL_X0;
 
@@ -100,10 +90,10 @@ prima_rc_t prima_init_result(prima_result_t *const result, const prima_problem_t
     result->cstrv = NAN;
 
     // nf: number of function evaluations
-    result->nf = INT_MIN;
+    result->nf = 0;
 
     // status: return code
-    result->status = INT_MIN;
+    result->status = PRIMA_RESULT_INITIALIZED;
 
     // message: exit message
     result->message = NULL;
@@ -192,12 +182,6 @@ const char *prima_get_rc_string(const prima_rc_t rc)
             return "NULL result";
         case PRIMA_NULL_FUNCTION:
             return "NULL function";
-        case PRIMA_PROBLEM_SOLVER_MISMATCH_NONLINEAR_CONSTRAINTS:
-            return "Nonlinear constraints were provided for an algorithm that cannot handle them";
-        case PRIMA_PROBLEM_SOLVER_MISMATCH_LINEAR_CONSTRAINTS:
-            return "Linear constraints were provided for an algorithm that cannot handle them";
-        case PRIMA_PROBLEM_SOLVER_MISMATCH_BOUNDS:
-            return "Bounds were provided for an algorithm that cannot handle them";
         default:
             return "Invalid return code";
     }
@@ -283,3 +267,9 @@ prima_rc_t prima_minimize(const prima_algorithm_t algorithm, const prima_problem
 
     return info;
 }
+
+bool prima_is_success(const prima_result_t result)
+{
+    return (result.status == PRIMA_SMALL_TR_RADIUS ||
+            result.status == PRIMA_FTARGET_ACHIEVED) && (result.cstrv <= sqrt(DBL_EPSILON));
+}