Attempt a Windows build

.github/workflows/build-wheels.yml

@@ -14,7 +14,7 @@ jobs:
     strategy:
       matrix:
         # TODO: add windows builder
-        os: [ubuntu-20.04, macos-11]
+        os: [ubuntu-20.04, macos-11, windows-2019]
 
     steps:
       - uses: actions/checkout@v3

.github/workflows/tests.yml

@@ -15,6 +15,7 @@ jobs:
         include:
           - os: ubuntu-20.04
           - os: macos-11
+          - os: windows-2019
     steps:
       - uses: actions/checkout@v3
 

sphericart/include/templates.hpp

@@ -15,7 +15,14 @@
 */
 
 #include <cmath>
-#include <vector>
+
+#ifndef M_PI
+#define M_PI 3.14159265358979323846264338327950288
+#endif
+
+#ifndef M_SQRT1_2
+#define M_SQRT1_2 0.707106781186547524400844362104849039
+#endif
 
 #ifdef _OPENMP
 
@@ -303,7 +310,8 @@ void hardcoded_sph(
         T *ddsph_i = nullptr;
 
 #pragma omp for
-        for (size_t i_sample = 0; i_sample < n_samples; i_sample++) {
+        for (int64_t i_sample = 0; i_sample < static_cast<int64_t>(n_samples);
+             i_sample++) {
             // gets pointers to the current sample input and output arrays
             xyz_i = xyz + i_sample * 3;
             sph_i = sph + i_sample * size_y;
@@ -1058,7 +1066,8 @@ void generic_sph(const T *xyz, T *sph, [[maybe_unused]] T *dsph,
         T *ddsph_i = nullptr;
 
 #pragma omp for
-        for (size_t i_sample = 0; i_sample < n_samples; i_sample++) {
+        for (int64_t i_sample = 0; i_sample < static_cast<int64_t>(n_samples);
+             i_sample++) {
             auto xyz_i = xyz + i_sample * 3;
             // pointer to the segment that should store the i_sample sph
             sph_i = sph + i_sample * size_y;

sphericart/src/sphericart_cuda_stub.cpp

@@ -10,10 +10,11 @@ SphericalHarmonics<T>::SphericalHarmonics(size_t l_max, bool normalized) {}
 template <typename T> SphericalHarmonics<T>::~SphericalHarmonics() {}
 
 template <typename T>
-void SphericalHarmonics<T>::compute(const T *xyz, const size_t nsamples,
-                                    bool compute_with_gradients,
-                                    bool compute_with_hessian, T *sph, T *dsph,
-                                    T *ddsph, void *cuda_stream) {
+void SphericalHarmonics<T>::compute(const T * /*xyz*/, size_t /*nsamples*/,
+                                    bool /*compute_with_gradients*/,
+                                    bool /*compute_with_hessian*/, T * /*sph*/,
+                                    T * /*dsph*/, T * /*ddsph*/,
+                                    void * /*cuda_stream*/) {
     throw std::runtime_error("sphericart was not compiled with CUDA support");
 }