Support numpy 2 (#4622)

* Support numpy 2

* Debugging

* Removed debugging code

devtools/ci/gh-actions/conda-envs/build-macos-13.yml

@@ -10,7 +10,7 @@ dependencies:
 - python
 - cython
 - swig
-- numpy <2.0
+- numpy
 - doxygen 1.8.14
 # test
 - pytest

devtools/ci/gh-actions/conda-envs/build-macos-latest.yml

@@ -10,7 +10,7 @@ dependencies:
 - python
 - cython
 - swig
-- numpy <2.0
+- numpy
 - doxygen 1.8.14
 # test
 - pytest

devtools/ci/gh-actions/conda-envs/build-ubuntu-latest.yml

@@ -12,7 +12,7 @@ dependencies:
 - python
 - cython
 - swig
-- numpy <2.0
+- numpy
 - ocl-icd-system
 - doxygen 1.8.14
 # test

devtools/ci/gh-actions/conda-envs/build-ubuntu-pypy.yml

@@ -12,7 +12,7 @@ dependencies:
 - pypy
 - cython
 - swig
-- numpy <2.0
+- numpy
 - ocl-icd-system
 - doxygen 1.8.14
 # test

devtools/ci/gh-actions/conda-envs/build-windows-latest.yml

@@ -12,7 +12,7 @@ dependencies:
 - python
 - cython
 - swig
-- numpy <2.0
+- numpy
 - doxygen 1.8.14
 - khronos-opencl-icd-loader
 # test

devtools/ci/gh-actions/conda-envs/docs.yml

@@ -8,7 +8,7 @@ dependencies:
 # host
 - python
 - pip
-- numpy <2.0
+- numpy
 - cython
 - swig
 - doxygen 1.8.14

wrappers/python/src/swig_doxygen/swig_lib/python/typemaps.i

@@ -161,14 +161,16 @@ int Py_SequenceToVecDouble(PyObject* obj, std::vector<double>& out) {
     PyObject* item1 = NULL;
 
     if (isNumpyAvailable()) {
-        if (PyArray_Check(stripped) && PyArray_ISCARRAY_RO(stripped) && PyArray_NDIM(stripped) == 1) {
-            int type = PyArray_TYPE(stripped);
-            int length = PyArray_SIZE(stripped);
-            void* data = PyArray_DATA((PyArrayObject*) stripped);
+        if (PyArray_Check(stripped)) {
+            const PyArrayObject* array = (PyArrayObject*) stripped;
+            if (PyArray_ISCARRAY_RO(array) && PyArray_NDIM(array) == 1) {
+                int type = PyArray_TYPE(array);
+                int length = PyArray_SIZE(array);
+                void* data = PyArray_DATA(array);
                 if (type == NPY_DOUBLE) {
                     out.resize(length);
                     memcpy(&out[0], data, sizeof(double)*length);
-                Py_DECREF(stripped);
+                    Py_DECREF(array);
                     return SWIG_OK;
                 }
                 if (type == NPY_FLOAT) {
@@ -176,7 +178,7 @@ int Py_SequenceToVecDouble(PyObject* obj, std::vector<double>& out) {
                     float* floatData = (float*) data;
                     for (int i = 0; i < length; i++)
                         out[i] = floatData[i];
-                Py_DECREF(stripped);
+                    Py_DECREF(array);
                     return SWIG_OK;
                 }
                 if (type == NPY_INT32) {
@@ -184,7 +186,7 @@ int Py_SequenceToVecDouble(PyObject* obj, std::vector<double>& out) {
                     int* intData = (int*) data;
                     for (int i = 0; i < length; i++)
                         out[i] = intData[i];
-                Py_DECREF(stripped);
+                    Py_DECREF(array);
                     return SWIG_OK;
                 }
                 if (type == NPY_INT64) {
@@ -192,11 +194,12 @@ int Py_SequenceToVecDouble(PyObject* obj, std::vector<double>& out) {
                     long long* longData = (long long*) data;
                     for (int i = 0; i < length; i++)
                         out[i] = longData[i];
-                Py_DECREF(stripped);
+                    Py_DECREF(array);
                     return SWIG_OK;
                 }
             }
         }
+    }
 
     PyObject* iterator = PyObject_GetIter(stripped);
     if (iterator == NULL) {
@@ -233,14 +236,16 @@ int Py_SequenceToVecDouble(PyObject* obj, std::vector<double>& out) {
 int Py_SequenceToVecVec3(PyObject* obj, std::vector<Vec3>& out) {
     PyObject* stripped = Py_StripOpenMMUnits(obj);      // new reference
     if (isNumpyAvailable()) {
-        if (PyArray_Check(stripped) && PyArray_ISCARRAY_RO(stripped) && PyArray_NDIM(stripped) == 2 && PyArray_DIM(stripped, 1) == 3) {
-            int type = PyArray_TYPE(stripped);
-            int length = PyArray_DIM(stripped, 0);
-            void* data = PyArray_DATA((PyArrayObject*) stripped);
+        if (PyArray_Check(stripped)) {
+            const PyArrayObject* array = (PyArrayObject*) stripped;
+            if (PyArray_ISCARRAY_RO(array) && PyArray_NDIM(array) == 2 && PyArray_DIM(array, 1) == 3) {
+                int type = PyArray_TYPE(array);
+                int length = PyArray_DIM(array, 0);
+                void* data = PyArray_DATA((PyArrayObject*) array);
                 if (type == NPY_DOUBLE) {
                     out.resize(length);
                     memcpy(&out[0][0], data, 3*sizeof(double)*length);
-                Py_DECREF(stripped);
+                    Py_DECREF(array);
                     return SWIG_OK;
                 }
                 if (type == NPY_FLOAT) {
@@ -248,7 +253,7 @@ int Py_SequenceToVecVec3(PyObject* obj, std::vector<Vec3>& out) {
                     float* floatData = (float*) data;
                     for (int i = 0; i < length; i++)
                         out[i] = Vec3(floatData[3*i], floatData[3*i+1], floatData[3*i+2]);
-                Py_DECREF(stripped);
+                    Py_DECREF(array);
                     return SWIG_OK;
                 }
                 if (type == NPY_INT32) {
@@ -256,7 +261,7 @@ int Py_SequenceToVecVec3(PyObject* obj, std::vector<Vec3>& out) {
                     int* intData = (int*) data;
                     for (int i = 0; i < length; i++)
                         out[i] = Vec3(intData[3*i], intData[3*i+1], intData[3*i+2]);
-                Py_DECREF(stripped);
+                    Py_DECREF(array);
                     return SWIG_OK;
                 }
                 if (type == NPY_INT64) {
@@ -264,11 +269,12 @@ int Py_SequenceToVecVec3(PyObject* obj, std::vector<Vec3>& out) {
                     long long* longData = (long long*) data;
                     for (int i = 0; i < length; i++)
                         out[i] = Vec3(longData[3*i], longData[3*i+1], longData[3*i+2]);
-                Py_DECREF(stripped);
+                    Py_DECREF(array);
                     return SWIG_OK;
                 }
             }
         }
+    }
     int ret = 0;
     PyObject* item = NULL;
     PyObject* item1 = NULL;