From 4674cfa0835ae777c0eb9a75562bfb16e28d1bbe Mon Sep 17 00:00:00 2001
From: David Koes <dkoes@pitt.edu>
Date: Fri, 12 Jul 2024 12:31:00 -0400
Subject: [PATCH] Rearrange thrust includes for CUDA 12.5 compat

---
 test/test_mgrid.cpp     | 40 ----------------------------------------
 test/test_mgrid.cu      | 38 ++++++++++++++++++++++++++++++++++++++
 test/test_transform.cpp |  2 --
 3 files changed, 38 insertions(+), 42 deletions(-)

diff --git a/test/test_mgrid.cpp b/test/test_mgrid.cpp
index 15a856c1..014d8920 100644
--- a/test/test_mgrid.cpp
+++ b/test/test_mgrid.cpp
@@ -7,9 +7,6 @@
 
 #define BOOST_TEST_MODULE grid_test
 #include <boost/test/unit_test.hpp>
-#include <thrust/reduce.h>
-#include <thrust/execution_policy.h>
-
 #include "libmolgrid/managed_grid.h"
 
 using namespace libmolgrid;
@@ -88,43 +85,6 @@ BOOST_AUTO_TEST_CASE( indirect_indexing )
 
 }
 
-BOOST_AUTO_TEST_CASE( grid_conversion )
-{
-  MGrid3f g3(7,13,11);
-  MGrid1f g1(100);
-
-  for(unsigned i = 0; i < 7; i++)
-    for(unsigned j = 0; j < 13; j++)
-      for(unsigned k = 0; k < 11; k++) {
-        g3[i][j][k] = i+j+k;
-      }
-
-  for(unsigned i = 0; i < 100; i++) {
-    g1(i) = i;
-  }
-
-  Grid3f cpu3(g3);
-  Grid1f cpu1 = g1.cpu();
-
-  float sum3 = thrust::reduce(thrust::host, cpu3.data(), cpu3.data()+cpu3.size());
-  BOOST_CHECK_EQUAL(sum3,14014);
-
-  float sum1 = thrust::reduce(thrust::host, cpu1.data(), cpu1.data()+cpu1.size());
-  BOOST_CHECK_EQUAL(sum1,4950);
-
-  MGrid6d g6(3,4,5,2,1,10);
-  g6[2][2][2][0][0][5] = 3.14;
-  Grid6d cpu6 = (Grid6d)g6; //cast conversion
-  BOOST_CHECK_EQUAL(cpu6.size(),1200);
-  BOOST_CHECK_EQUAL(cpu6(2,2,2,0,0,5), 3.14);
-
-  Grid6dCUDA gpu6 = (Grid6dCUDA)g6;
-  double *cudaptr = gpu6.address(2,2,2,0,0,5);
-  double val = 0;
-  cudaMemcpy(&val, cudaptr, sizeof(double), cudaMemcpyDeviceToHost);
-  BOOST_CHECK_EQUAL(val, 3.14);
-
-}
 
 
 BOOST_AUTO_TEST_CASE( blank_mgrid )
diff --git a/test/test_mgrid.cu b/test/test_mgrid.cu
index b4b1a424..71764c6f 100644
--- a/test/test_mgrid.cu
+++ b/test/test_mgrid.cu
@@ -60,3 +60,41 @@ BOOST_AUTO_TEST_CASE( grid_conversion )
   cudaError_t error = cudaGetLastError();
   BOOST_CHECK_EQUAL(error,cudaSuccess);
 }
+
+BOOST_AUTO_TEST_CASE( grid_conversion2 )
+{
+  MGrid3f g3(7,13,11);
+  MGrid1f g1(100);
+
+  for(unsigned i = 0; i < 7; i++)
+    for(unsigned j = 0; j < 13; j++)
+      for(unsigned k = 0; k < 11; k++) {
+        g3[i][j][k] = i+j+k;
+      }
+
+  for(unsigned i = 0; i < 100; i++) {
+    g1(i) = i;
+  }
+
+  Grid3f cpu3(g3);
+  Grid1f cpu1 = g1.cpu();
+
+  float sum3 = thrust::reduce(thrust::host, cpu3.data(), cpu3.data()+cpu3.size());
+  BOOST_CHECK_EQUAL(sum3,14014);
+
+  float sum1 = thrust::reduce(thrust::host, cpu1.data(), cpu1.data()+cpu1.size());
+  BOOST_CHECK_EQUAL(sum1,4950);
+
+  MGrid6d g6(3,4,5,2,1,10);
+  g6[2][2][2][0][0][5] = 3.14;
+  Grid6d cpu6 = (Grid6d)g6; //cast conversion
+  BOOST_CHECK_EQUAL(cpu6.size(),1200);
+  BOOST_CHECK_EQUAL(cpu6(2,2,2,0,0,5), 3.14);
+
+  Grid6dCUDA gpu6 = (Grid6dCUDA)g6;
+  double *cudaptr = gpu6.address(2,2,2,0,0,5);
+  double val = 0;
+  cudaMemcpy(&val, cudaptr, sizeof(double), cudaMemcpyDeviceToHost);
+  BOOST_CHECK_EQUAL(val, 3.14);
+
+}
diff --git a/test/test_transform.cpp b/test/test_transform.cpp
index 88976fd1..bc63f64d 100644
--- a/test/test_transform.cpp
+++ b/test/test_transform.cpp
@@ -8,8 +8,6 @@
 #define BOOST_TEST_MODULE transform_test
 #include <boost/test/unit_test.hpp>
 #include <boost/test/tools/floating_point_comparison.hpp>
-#include <thrust/reduce.h>
-#include <thrust/execution_policy.h>
 
 #include "libmolgrid/libmolgrid.h"
 #include "libmolgrid/transform.h"