Use std::filesystem::path

Signed-off-by: Steven Hahn <[email protected]>

Author: quantumsteve

.gitignore

@@ -19,6 +19,7 @@ tests/solids/NiO_a4_e48_pp/NiO-fcc-supertwist111-supershift000-S1.h5
 
 # Visual Studio code settings
 .vscode/
+.cache/
 
 # Doxygen output
 doxygen/output/

src/QMCWaveFunctions/EinsplineSetBuilder.h

@@ -27,6 +27,7 @@
 #include "QMCWaveFunctions/BandInfo.h"
 #include "QMCWaveFunctions/AtomicOrbital.h"
 #include "Numerics/HDFNumericAttrib.h"
+#include <filesystem>
 #include <map>
 
 #define PW_COEFF_NORM_TOLERANCE 1e-6
@@ -78,14 +79,12 @@ struct Int4less
  */
 struct H5OrbSet
 {
-  ///type of orbitals defined
-  int OrbitalType;
   ///index for the spin set
   int SpinSet;
   ///number of orbitals that belong to this set
   int NumOrbs;
   ///name of the HDF5 file
-  std::string FileName;
+  std::filesystem::path FileName;
   /** true if a < b
    *
    * The ordering
@@ -106,9 +105,8 @@ struct H5OrbSet
       return a.FileName < b.FileName;
   }
 
-  H5OrbSet(const H5OrbSet& a) : SpinSet(a.SpinSet), NumOrbs(a.NumOrbs), FileName(a.FileName) {}
   H5OrbSet(std::string name, int spinSet, int numOrbs) : SpinSet(spinSet), NumOrbs(numOrbs), FileName(name) {}
-  H5OrbSet() {}
+  H5OrbSet() = default;
 };
 
 /** EinsplineSet builder
@@ -158,7 +156,7 @@ class EinsplineSetBuilder : public SPOSetBuilder
   // HDF5-related data  and functions //
   //////////////////////////////////////
   hid_t H5FileID;
-  std::string H5FileName;
+  std::filesystem::path H5FileName;
   // HDF5 orbital file version
   typedef enum
   {

src/io/hdf/hdf_archive.cpp

@@ -133,7 +133,7 @@ void hdf_archive::set_access_plist(boost::mpi3::communicator& comm, bool request
 #endif
 
 
-bool hdf_archive::create(const std::string& fname, unsigned flags)
+bool hdf_archive::create(const std::filesystem::path& fname, unsigned flags)
 {
   if (Mode[NOIO])
     return true;
@@ -144,7 +144,7 @@ bool hdf_archive::create(const std::string& fname, unsigned flags)
   return file_id != is_closed;
 }
 
-bool hdf_archive::open(const std::string& fname, unsigned flags)
+bool hdf_archive::open(const std::filesystem::path& fname, unsigned flags)
 {
   if (Mode[NOIO])
     return true;

src/io/hdf/hdf_archive.h

@@ -21,8 +21,11 @@
 #include "hdf_pete.h"
 #include "hdf_stl.h"
 #include "hdf_hyperslab.h"
-#include <stack>
+
 #include <bitset>
+#include <filesystem>
+#include <stack>
+
 #ifdef HAVE_MPI
 namespace boost
 {
@@ -114,14 +117,14 @@ class hdf_archive
    * @param flags i/o mode
    * @return true, if creation is successful
    */
-  bool create(const std::string& fname, unsigned flags = H5F_ACC_TRUNC);
+  bool create(const std::filesystem::path& fname, unsigned flags = H5F_ACC_TRUNC);
 
   /** open a file
    * @param fname name of hdf5 file
    * @param flags i/o mode
    * @return file_id, if open is successful
    */
-  bool open(const std::string& fname, unsigned flags = H5F_ACC_RDWR);
+  bool open(const std::filesystem::path& fname, unsigned flags = H5F_ACC_RDWR);
 
   ///close all the open groups and file
   void close();