fix the MKL path for GROMACS bench

Author: mateuszpn

devops/scripts/benchmarks/benches/gromacs.py

@@ -77,7 +77,7 @@ def setup(self):
                 f"-DGMX_SYCL_ENABLE_EXPERIMENTAL_SUBMIT_API=ON",
                 f"-DGMX_FFT_LIBRARY=MKL",
                 f"-DGMX_GPU_FFT_LIBRARY=MKL",
-                f"-DMKL_DIR={self.oneapi.mkl_cmake()}",
+                f"-DMKLROOT={self.oneapi.mkl_dir()}",
                 f"-DGMX_GPU_NB_CLUSTER_SIZE=8",
                 f"-DGMX_GPU_NB_NUM_CLUSTER_PER_CELL_X=1",
                 f"-DGMX_OPENMP=OFF",

devops/scripts/benchmarks/utils/oneapi.py

@@ -55,6 +55,9 @@ def package_cmake(self, package):
         package_lib = self.package_dir(package, "lib")
         return os.path.join(package_lib, "cmake", package)
 
+    def mkl_dir(self):
+        return self.package_dir("mkl", "")
+
     def mkl_lib(self):
         return self.package_dir("mkl", "lib")