fix cmake file

CMakeLists.txt

@@ -44,7 +44,7 @@ endif(NOT SHARE_INSTALL_DIR)
 
 
 set (Boost_DETAILED_FAILURE_MSG ON)
 set (Boost_DETAILED_FAILURE_MSG ON)
 # set (BOOST_ROOT ${PROJECT_SOURCE_DIR}/../boost_1_75_0)
 # set (BOOST_ROOT ${PROJECT_SOURCE_DIR}/../boost_1_75_0)
-set (Boost_COMPILER "-vc")
+# set (Boost_COMPILER "-vc")
 # set (Boost_USE_STATIC_RUNTIME ON)  
 # set (Boost_USE_STATIC_RUNTIME ON)  
 
 
 find_package(Boost 1.73.0 REQUIRED COMPONENTS system iostreams)
 find_package(Boost 1.73.0 REQUIRED COMPONENTS system iostreams)

src/Compound.cpp

@@ -519,7 +519,7 @@ class CCP4CompoundFactoryImpl : public CompoundFactoryImpl
 
 
 CCP4CompoundFactoryImpl::CCP4CompoundFactoryImpl(const fs::path &clibd_mon, CompoundFactoryImpl *next)
 CCP4CompoundFactoryImpl::CCP4CompoundFactoryImpl(const fs::path &clibd_mon, CompoundFactoryImpl *next)
 	: CompoundFactoryImpl(next)
 	: CompoundFactoryImpl(next)
-	, mFile(clibd_mon / "list" / "mon_lib_list.cif")
+	, mFile((clibd_mon / "list" / "mon_lib_list.cif").string())
 	, mCLIBD_MON(clibd_mon)
 	, mCLIBD_MON(clibd_mon)
 {
 {
 	const std::regex peptideRx("(?:[lmp]-)?peptide", std::regex::icase);
 	const std::regex peptideRx("(?:[lmp]-)?peptide", std::regex::icase);
@@ -559,7 +559,7 @@ Compound *CCP4CompoundFactoryImpl::create(const std::string &id)
 
 
 		if (fs::exists(resFile))
 		if (fs::exists(resFile))
 		{
 		{
-			cif::File cf(resFile);
+			cif::File cf(resFile.string());
 
 
 			// locate the datablock
 			// locate the datablock
 			auto &db = cf["comp_" + id];
 			auto &db = cf["comp_" + id];

src/Secondary.cpp

@@ -182,8 +182,8 @@ struct Res
 		, mChainBreak(brk)
 		, mChainBreak(brk)
 	{
 	{
 		// update the box containing all atoms
 		// update the box containing all atoms
-		mBox[0].mX = mBox[0].mY = mBox[0].mZ =  std::numeric_limits<double>::max();
-		mBox[1].mX = mBox[1].mY = mBox[1].mZ = -std::numeric_limits<double>::max();
+		mBox[0].mX = mBox[0].mY = mBox[0].mZ =  std::numeric_limits<float>::max();
+		mBox[1].mX = mBox[1].mY = mBox[1].mZ = -std::numeric_limits<float>::max();
 
 
 		mH = mmcif::Point{ std::numeric_limits<float>::max(), std::numeric_limits<float>::max(), std::numeric_limits<float>::max() };
 		mH = mmcif::Point{ std::numeric_limits<float>::max(), std::numeric_limits<float>::max(), std::numeric_limits<float>::max() };