/* Define if hipSYCL is used for SYCL support (otherwise DPCPP is assumed) */
#cmakedefine01 GMX_SYCL_HIPSYCL
+// Define if hipSYCL has HIP target(s)
+#cmakedefine01 GMX_HIPSYCL_HAVE_HIP_TARGET
+
+// Define if hipSYCL has CUDA target(s)
+#cmakedefine01 GMX_HIPSYCL_HAVE_CUDA_TARGET
+
/* Define if Intel's DPCPP is used (default unless hipSYCL is chosen) */
-#define GMX_SYCL_DPCPP (!GMX_SYCL_HIPSYCL)
+#define GMX_SYCL_DPCPP (!GMX_SYCL_HIPSYCL && GMX_GPU_SYCL)
/* Use a single compilation unit when compiling the CUDA (non-bonded) kernels. */
#cmakedefine01 GMX_CUDA_NB_SINGLE_COMPILATION_UNIT
-/* Cluster size used by nonbonded OpenCL kernel. Should be 8 for NVIDIA/AMD and 4 for Intel */
-#define GMX_OPENCL_NB_CLUSTER_SIZE @GMX_OPENCL_NB_CLUSTER_SIZE@
+/* Use CUDA-aware MPI. */
+#cmakedefine01 HAVE_CUDA_AWARE_MPI
+
+/* Define if HeFFTe library found */
+#cmakedefine01 Heffte_FOUND
+
+/* Cluster size used by nonbonded kernel. Should be 8 for NVIDIA/AMD and 4 for Intel */
+#define GMX_GPU_NB_CLUSTER_SIZE @GMX_GPU_NB_CLUSTER_SIZE@
/* Define constants for build types (starting at 1 to make sure undefined values don't match) */
#define CMAKE_BUILD_TYPE_DEBUG 1
/* Define if we have fedisableexcept */
#cmakedefine01 HAVE_FEDISABLEEXCEPT
+/* Define if we have MKL available */
+#cmakedefine01 HAVE_LIBMKL
+
/* Define if we have lmfit support */
#cmakedefine01 HAVE_LMFIT
+/* Define if we have muparser support */
+#cmakedefine01 HAVE_MUPARSER
+
/* Build using clang analyzer */
#cmakedefine01 GMX_CLANG_ANALYZER
-/* Use MiMiC QM/MM interface */
-#cmakedefine01 GMX_MIMIC
-
/* Use Interactive Molecular Dynamics */
#cmakedefine01 GMX_IMD