Fixed compilation errors on Windows

openmmapi/src/NonbondedForceImpl.cpp

@@ -29,6 +29,9 @@
  * USE OR OTHER DEALINGS IN THE SOFTWARE.                                     *
  * -------------------------------------------------------------------------- */
 
+#ifdef WIN32
+  #define _USE_MATH_DEFINES // Needed to get M_PI
+#endif
 #include "openmm/OpenMMException.h"
 #include "openmm/internal/ContextImpl.h"
 #include "openmm/internal/NonbondedForceImpl.h"
@@ -37,10 +40,6 @@
 #include <map>
 #include <sstream>
 
-#ifndef M_PI
-#define M_PI 3.14159265358979323846
-#endif
-
 using namespace OpenMM;
 using namespace std;
 

platforms/cuda/include/CudaPlatform.h

@@ -29,6 +29,7 @@
 
 #include "openmm/Platform.h"
 #include "openmm/System.h"
+#include "windowsExportCuda.h"
 
 namespace OpenMM {
     
@@ -38,7 +39,7 @@ class CudaContext;
  * This Platform subclass uses CUDA implementations of the OpenMM kernels.
  */
 
-class OPENMM_EXPORT CudaPlatform : public Platform {
+class OPENMM_EXPORT_CUDA CudaPlatform : public Platform {
 public:
     class PlatformData;
     CudaPlatform();
@@ -91,7 +92,7 @@ public:
     }
 };
 
-class OPENMM_EXPORT CudaPlatform::PlatformData {
+class OPENMM_EXPORT_CUDA CudaPlatform::PlatformData {
 public:
     PlatformData(const System& system, const std::string& deviceIndexProperty, const std::string& blockingProperty, const std::string& precisionProperty,
             const std::string& compilerProperty, const std::string& tempProperty);

platforms/cuda/include/windowsExportCuda.h

+#ifndef OPENMM_WINDOWSEXPORTCUDA_H_
+#define OPENMM_WINDOWSEXPORTCUDA_H_
+
+/*
+ * Shared libraries are messy in Visual Studio. We have to distinguish three
+ * cases:
+ *   (1) this header is being used to build the OpenMM shared library
+ *       (dllexport)
+ *   (2) this header is being used by a *client* of the OpenMM shared
+ *       library (dllimport)
+ *   (3) we are building the OpenMM static library, or the client is
+ *       being compiled with the expectation of linking with the
+ *       OpenMM static library (nothing special needed)
+ * In the CMake script for building this library, we define one of the symbols
+ *     OPENMM_CUDA_BUILDING_{SHARED|STATIC}_LIBRARY
+ * Client code normally has no special symbol defined, in which case we'll
+ * assume it wants to use the shared library. However, if the client defines
+ * the symbol OPENMM_USE_STATIC_LIBRARIES we'll suppress the dllimport so
+ * that the client code can be linked with static libraries. Note that
+ * the client symbol is not library dependent, while the library symbols
+ * affect only the OpenMM library, meaning that other libraries can
+ * be clients of this one. However, we are assuming all-static or all-shared.
+ */
+
+#ifdef _MSC_VER
+    // We don't want to hear about how sprintf is "unsafe".
+    #pragma warning(disable:4996)
+    // Keep MS VC++ quiet about lack of dll export of private members.
+    #pragma warning(disable:4251)
+    #if defined(OPENMM_CUDA_BUILDING_SHARED_LIBRARY)
+        #define OPENMM_EXPORT_CUDA __declspec(dllexport)
+    #elif defined(OPENMM_CUDA_BUILDING_STATIC_LIBRARY) || defined(OPENMM_CUDA_USE_STATIC_LIBRARIES)
+		#define OPENMM_EXPORT_CUDA
+    #else
+		#define OPENMM_EXPORT_CUDA __declspec(dllimport)   // i.e., a client of a shared library
+    #endif
+#else
+    #define OPENMM_EXPORT_CUDA // Linux, Mac
+#endif
+
+#endif // OPENMM_WINDOWSEXPORTCUDA_H_

platforms/cuda/sharedTarget/CMakeLists.txt

@@ -19,6 +19,6 @@ ELSE (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
     SET(MAIN_OPENMM_LIB ${OPENMM_LIBRARY_NAME})
 ENDIF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
 TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${MAIN_OPENMM_LIB} ${CUDA_CUDA_LIBRARY} ${CUDA_cufft_LIBRARY} ${PTHREADS_LIB})
-SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES COMPILE_FLAGS "-DOPENMM_BUILDING_SHARED_LIBRARY")
+SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES COMPILE_FLAGS "-DOPENMM_CUDA_BUILDING_SHARED_LIBRARY")
 
 INSTALL_TARGETS(/lib/plugins RUNTIME_DIRECTORY /lib/plugins ${SHARED_TARGET})

platforms/cuda/src/CudaArray.h

@@ -28,7 +28,7 @@
  * -------------------------------------------------------------------------- */
 
 #include "openmm/OpenMMException.h"
-#include "openmm/internal/windowsExport.h"
+#include "windowsExportCuda.h"
 #include <cuda.h>
 #include <iostream>
 #include <sstream>
@@ -43,7 +43,7 @@ class CudaContext;
  * for working with it and for copying data to and from device memory.
  */
 
-class OPENMM_EXPORT CudaArray {
+class OPENMM_EXPORT_CUDA CudaArray {
 public:
     /**
      * Create a CudaArray object.  The object is allocated on the heap with the "new" operator.

platforms/cuda/src/CudaBondedUtilities.h

@@ -78,7 +78,7 @@ namespace OpenMM {
  * from your interaction code.
  */
 
-class OPENMM_EXPORT CudaBondedUtilities {
+class OPENMM_EXPORT_CUDA CudaBondedUtilities {
 public:
     CudaBondedUtilities(CudaContext& context);
     ~CudaBondedUtilities();

platforms/cuda/src/CudaContext.h

@@ -39,7 +39,7 @@
 #include <cuda.h>
 #include <builtin_types.h>
 #include <vector_functions.h>
-#include "openmm/internal/windowsExport.h"
+#include "windowsExportCuda.h"
 #include "CudaPlatform.h"
 
 namespace OpenMM {
@@ -63,7 +63,7 @@ class System;
  * thread is not used and calculations are performed on the main application thread.
  */
 
-class OPENMM_EXPORT CudaContext {
+class OPENMM_EXPORT_CUDA CudaContext {
 public:
     class WorkTask;
     class WorkThread;

platforms/cuda/src/CudaExpressionUtilities.h

@@ -43,7 +43,7 @@ namespace OpenMM {
  * user defined mathematical expressions.
  */
 
-class OPENMM_EXPORT CudaExpressionUtilities {
+class OPENMM_EXPORT_CUDA CudaExpressionUtilities {
 public:
     CudaExpressionUtilities(CudaContext& context) : context(context) {
     }

platforms/cuda/src/CudaForceInfo.h

@@ -27,7 +27,7 @@
  * along with this program.  If not, see <http://www.gnu.org/licenses/>.      *
  * -------------------------------------------------------------------------- */
 
-#include "openmm/internal/windowsExport.h"
+#include "windowsExportCuda.h"
 #include <vector>
 
 namespace OpenMM {
@@ -37,7 +37,7 @@ namespace OpenMM {
  * about the behavior and requirements of that force.
  */
 
-class OPENMM_EXPORT CudaForceInfo {
+class OPENMM_EXPORT_CUDA CudaForceInfo {
 public:
     CudaForceInfo() {
     }

platforms/cuda/src/CudaIntegrationUtilities.h

@@ -29,7 +29,7 @@
 
 #include "openmm/System.h"
 #include "CudaContext.h"
-#include "openmm/internal/windowsExport.h"
+#include "windowsExportCuda.h"
 #include <iosfwd>
 
 namespace OpenMM {
@@ -39,7 +39,7 @@ namespace OpenMM {
  * common workspace arrays, random number generation, and enforcing constraints.
  */
 
-class OPENMM_EXPORT CudaIntegrationUtilities {
+class OPENMM_EXPORT_CUDA CudaIntegrationUtilities {
 public:
     CudaIntegrationUtilities(CudaContext& context, const System& system);
     ~CudaIntegrationUtilities();

platforms/cuda/src/CudaKernelSources.h.in

@@ -27,7 +27,7 @@
  * along with this program.  If not, see <http://www.gnu.org/licenses/>.      *
  * -------------------------------------------------------------------------- */
 
-#include "openmm/internal/windowsExport.h"
+#include "windowsExportCuda.h"
 #include <string>
 
 namespace OpenMM {
@@ -38,7 +38,7 @@ namespace OpenMM {
  * kernels subfolder.
  */
 
-class OPENMM_EXPORT CudaKernelSources {
+class OPENMM_EXPORT_CUDA CudaKernelSources {
 public:
 @CUDA_FILE_DECLARATIONS@
 };

platforms/cuda/src/CudaNonbondedUtilities.h

@@ -61,7 +61,7 @@ namespace OpenMM {
  * by ForceImpls during calcForcesAndEnergy().
  */
 
-class OPENMM_EXPORT CudaNonbondedUtilities {
+class OPENMM_EXPORT_CUDA CudaNonbondedUtilities {
 public:
     class ParameterInfo;
     CudaNonbondedUtilities(CudaContext& context);

platforms/cuda/src/CudaParameterSet.h

@@ -40,7 +40,7 @@ class CudaNonbondedUtilities;
  * on the number of parameters required.
  */
 
-class OPENMM_EXPORT CudaParameterSet {
+class OPENMM_EXPORT_CUDA CudaParameterSet {
 public:
     /**
      * Create an CudaParameterSet.

platforms/cuda/src/CudaPlatform.cpp

@@ -42,7 +42,7 @@
 using namespace OpenMM;
 using namespace std;
 
-extern "C" OPENMM_EXPORT void registerPlatforms() {
+extern "C" OPENMM_EXPORT_CUDA void registerPlatforms() {
     Platform::registerPlatform(new CudaPlatform());
 }
 

platforms/cuda/src/CudaSort.h

@@ -28,7 +28,7 @@
  * -------------------------------------------------------------------------- */
 
 #include "CudaArray.h"
-#include "openmm/internal/windowsExport.h"
+#include "windowsExportCuda.h"
 #include "CudaContext.h"
 
 namespace OpenMM {
@@ -66,7 +66,7 @@ namespace OpenMM {
  * elements).
  */
     
-class OPENMM_EXPORT CudaSort {
+class OPENMM_EXPORT_CUDA CudaSort {
 public:
     class SortTrait;
     /**

platforms/cuda/tests/TestCudaRandom.cpp

@@ -128,7 +128,7 @@ void testRandomVelocities() {
         ke += 0.5*system.getParticleMass(i)*v.dot(v);
     }
     double expected = 0.5*(numParticles*3-system.getNumConstraints())*BOLTZ*temperture;
-    ASSERT_USUALLY_EQUAL_TOL(expected, ke, 4/sqrt(numParticles));
+    ASSERT_USUALLY_EQUAL_TOL(expected, ke, 4/sqrt((double) numParticles));
 }
 
 int main(int argc, char* argv[]) {

platforms/opencl/include/OpenCLPlatform.h

@@ -29,7 +29,7 @@
 
 #include "openmm/Platform.h"
 #include "openmm/System.h"
-
+#include "windowsExportOpenCL.h"
 namespace OpenMM {
     
 class OpenCLContext;
@@ -38,7 +38,7 @@ class OpenCLContext;
  * This Platform subclass uses OpenCL implementations of the OpenMM kernels.
  */
 
-class OPENMM_EXPORT OpenCLPlatform : public Platform {
+class OPENMM_EXPORT_OPENCL OpenCLPlatform : public Platform {
 public:
     class PlatformData;
     OpenCLPlatform();
@@ -77,7 +77,7 @@ public:
     }
 };
 
-class OPENMM_EXPORT OpenCLPlatform::PlatformData {
+class OPENMM_EXPORT_OPENCL OpenCLPlatform::PlatformData {
 public:
     PlatformData(const System& system, const std::string& platformPropValue, const std::string& deviceIndexProperty, const std::string& precisionProperty);
     ~PlatformData();

platforms/opencl/include/windowsExportOpenCL.h

+#ifndef OPENMM_WINDOWSEXPORTOPENCL_H_
+#define OPENMM_WINDOWSEXPORTOPENCL_H_
+
+/*
+ * Shared libraries are messy in Visual Studio. We have to distinguish three
+ * cases:
+ *   (1) this header is being used to build the OpenMM shared library
+ *       (dllexport)
+ *   (2) this header is being used by a *client* of the OpenMM shared
+ *       library (dllimport)
+ *   (3) we are building the OpenMM static library, or the client is
+ *       being compiled with the expectation of linking with the
+ *       OpenMM static library (nothing special needed)
+ * In the CMake script for building this library, we define one of the symbols
+ *     OPENMM_OPENCL_BUILDING_{SHARED|STATIC}_LIBRARY
+ * Client code normally has no special symbol defined, in which case we'll
+ * assume it wants to use the shared library. However, if the client defines
+ * the symbol OPENMM_USE_STATIC_LIBRARIES we'll suppress the dllimport so
+ * that the client code can be linked with static libraries. Note that
+ * the client symbol is not library dependent, while the library symbols
+ * affect only the OpenMM library, meaning that other libraries can
+ * be clients of this one. However, we are assuming all-static or all-shared.
+ */
+
+#ifdef _MSC_VER
+    // We don't want to hear about how sprintf is "unsafe".
+    #pragma warning(disable:4996)
+    // Keep MS VC++ quiet about lack of dll export of private members.
+    #pragma warning(disable:4251)
+    #if defined(OPENMM_OPENCL_BUILDING_SHARED_LIBRARY)
+        #define OPENMM_EXPORT_OPENCL __declspec(dllexport)
+    #elif defined(OPENMM_OPENCL_BUILDING_STATIC_LIBRARY) || defined(OPENMM_OPENCL_USE_STATIC_LIBRARIES)
+		#define OPENMM_EXPORT_OPENCL
+    #else
+		#define OPENMM_EXPORT_OPENCL __declspec(dllimport)   // i.e., a client of a shared library
+    #endif
+#else
+    #define OPENMM_EXPORT_OPENCL // Linux, Mac
+#endif
+
+#endif // OPENMM_WINDOWSEXPORTOPENCL_H_

platforms/opencl/sharedTarget/CMakeLists.txt

@@ -19,6 +19,6 @@ ELSE (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
     SET(MAIN_OPENMM_LIB ${OPENMM_LIBRARY_NAME})
 ENDIF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
 TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${MAIN_OPENMM_LIB}  ${OPENCL_LIBRARIES} ${PTHREADS_LIB})
-SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES COMPILE_FLAGS "-DOPENMM_BUILDING_SHARED_LIBRARY")
+SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES COMPILE_FLAGS "-DOPENMM_OPENCL_BUILDING_SHARED_LIBRARY")
 
 INSTALL_TARGETS(/lib/plugins RUNTIME_DIRECTORY /lib/plugins ${SHARED_TARGET})

platforms/opencl/src/OpenCLArray.h

@@ -29,7 +29,7 @@
 
 #include "OpenCLContext.h"
 #include "openmm/OpenMMException.h"
-#include "openmm/internal/windowsExport.h"
+#include "windowsExportOpenCL.h"
 #include <iostream>
 #include <sstream>
 #include <vector>
@@ -41,7 +41,7 @@ namespace OpenMM {
  * and for copying data to and from the OpenCL Buffer.
  */
 
-class OPENMM_EXPORT OpenCLArray {
+class OPENMM_EXPORT_OPENCL OpenCLArray {
 public:
     /**
      * Create an OpenCLArray object.  The object is allocated on the heap with the "new" operator.