Add support for HDF5 1.14.x

vanderhe · Dec 6, 2024 · 7948642 · 7948642
1 parent f7b64f1
commit 7948642
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Showing 7 changed files with 14 additions and 113 deletions.
diff --git a/prog/fortnet/lib_descriptors/acsf.F90 b/prog/fortnet/lib_descriptors/acsf.F90
@@ -11,7 +11,6 @@
 module fnet_acsf
 
   use h5lt
-  use hdf5
 
   use dftbp_accuracy, only : dp
   use dftbp_message, only : error
@@ -1780,9 +1779,6 @@ subroutine TAcsf_toFile(this, fname)
     !! auxiliary variables
     integer :: iFunc, iErr, tmp, tExist
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the netstat file
     call h5fopen_f(fname, H5F_ACC_RDWR_F, file_id, iErr)
 
@@ -1905,9 +1901,6 @@ subroutine TAcsf_toFile(this, fname)
     ! close the netstat file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine TAcsf_toFile
 
 
@@ -1944,9 +1937,6 @@ subroutine TAcsf_fromFile(this, fname, tReduce, tStandardize, nRadial, nAngular)
     real(dp), allocatable :: tmpRealArray1d(:)
     integer :: iFunc, iErr, tExist, tmpInt(1)
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the netstat file
     call h5fopen_f(fname, H5F_ACC_RDONLY_F, file_id, iErr)
 
@@ -2118,9 +2108,6 @@ subroutine TAcsf_fromFile(this, fname, tReduce, tStandardize, nRadial, nAngular)
     ! close the netstat file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
     nRadial = 0
     nAngular = 0
     allocate(tmpAtomicNumbers(0))

diff --git a/prog/fortnet/lib_fortnet/initprogram.F90 b/prog/fortnet/lib_fortnet/initprogram.F90
@@ -594,7 +594,7 @@ subroutine readDriverBlock(driver, analysis, driverNode, parent)
 
     type(fnode), pointer :: child, child2, child3, child4,  value1, field
 
-    type(string) :: buffer, buffer2, modifier
+    type(string) :: buffer, buffer2
 
     !! string buffer instance
     type(string) :: strBuffer

diff --git a/prog/fortnet/lib_io/fnetdata.F90 b/prog/fortnet/lib_io/fnetdata.F90
@@ -11,7 +11,6 @@
 module fnet_fnetdata
 
   use h5lt
-  use hdf5
 
   use dftbp_assert
   use dftbp_accuracy, only: dp, mc
@@ -557,9 +556,6 @@ subroutine inquireStructures(fname, tStructures)
     !! auxiliary variable
     integer :: iErr
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the dataset file
     call h5fopen_f(fname, H5F_ACC_RDONLY_F, file_id, iErr)
 
@@ -573,9 +569,6 @@ subroutine inquireStructures(fname, tStructures)
     ! close the dataset file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine inquireStructures
 
 
@@ -606,9 +599,6 @@ subroutine inquireTargets(fname, tGlobalTargets, tAtomicTargets, nGlobalTargets,
     !! auxiliary variables
     integer :: iErr
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the dataset file
     call h5fopen_f(fname, H5F_ACC_RDONLY_F, file_id, iErr)
 
@@ -639,9 +629,6 @@ subroutine inquireTargets(fname, tGlobalTargets, tAtomicTargets, nGlobalTargets,
     ! close the dataset file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine inquireTargets
 
 
@@ -666,9 +653,6 @@ subroutine inquireExtFeatures(fname, tFeatures, nFeatures)
     !! auxiliary variables
     integer :: iErr
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the dataset file
     call h5fopen_f(fname, H5F_ACC_RDONLY_F, file_id, iErr)
 
@@ -687,9 +671,6 @@ subroutine inquireExtFeatures(fname, tFeatures, nFeatures)
     ! close the dataset file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine inquireExtFeatures
 
 
@@ -1033,9 +1014,6 @@ subroutine readHdfDataset(fname, dataset)
     !! auxiliary variables
     integer :: iErr, iDatapoint, tExist
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the dataset file
     call h5fopen_f(fname, H5F_ACC_RDONLY_F, file_id, iErr)
 
@@ -1232,9 +1210,6 @@ subroutine readHdfDataset(fname, dataset)
     ! close the dataset file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
     ! perform some basic consistency checks
     call dataset%checkConsistency()
 

diff --git a/prog/fortnet/lib_io/fnetout.F90 b/prog/fortnet/lib_io/fnetout.F90
@@ -11,7 +11,6 @@
 module fnet_fnetout
 
   use h5lt
-  use hdf5
 
   use dftbp_message, only : error
   use dftbp_accuracy, only: dp
@@ -75,9 +74,6 @@ subroutine writeFnetout(fname, mode, globalTargets, atomicTargets, output, force
       call error('Validation mode only valid in combination with target data.')
     end if
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! create the fnetout file
     call h5fcreate_f(fname, H5F_ACC_TRUNC_F, file_id, iErr)
 
@@ -159,9 +155,6 @@ subroutine writeFnetout(fname, mode, globalTargets, atomicTargets, output, force
     ! close the fnetout file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine writeFnetout
 
 end module fnet_fnetout
diff --git a/prog/fortnet/lib_io/netstat.F90 b/prog/fortnet/lib_io/netstat.F90
@@ -11,7 +11,6 @@
 module fnet_netstat
 
   use h5lt
-  use hdf5
 
   use dftbp_message, only : error
   use dftbp_charmanip, only : i2c, tolower
@@ -46,9 +45,6 @@ subroutine createNetstat(fname)
     !! auxiliary variable
     integer :: iErr
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! create the netstat file
     call h5fcreate_f(fname, H5F_ACC_TRUNC_F, file_id, iErr)
 
@@ -61,9 +57,6 @@ subroutine createNetstat(fname)
     ! close the netstat file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine createNetstat
 
 
@@ -82,9 +75,6 @@ subroutine inquireExtFeatures(fname, tExtFeatures)
     !! auxiliary variables
     integer :: iErr, tExist, tmp(1)
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the netstat file
     call h5fopen_f(fname, H5F_ACC_RDONLY_F, file_id, iErr)
 
@@ -116,9 +106,6 @@ subroutine inquireExtFeatures(fname, tExtFeatures)
     ! close the netstat file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine inquireExtFeatures
 
 
@@ -138,9 +125,6 @@ subroutine inquireAcsf(fname, tAcsf)
     character(len=100) :: tmpStr
     integer :: iErr, tExist
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the netstat file
     call h5fopen_f(fname, H5F_ACC_RDONLY_F, file_id, iErr)
 
@@ -172,9 +156,6 @@ subroutine inquireAcsf(fname, tAcsf)
     ! close the netstat file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine inquireAcsf
 
 
@@ -193,9 +174,6 @@ subroutine readExtFeaturesConfig(fname, ext)
     !! auxiliary variables
     integer :: iErr, tExist, tmp(1)
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the netstat file
     call h5fopen_f(fname, H5F_ACC_RDONLY_F, file_id, iErr)
 
@@ -230,9 +208,6 @@ subroutine readExtFeaturesConfig(fname, ext)
     ! close the netstat file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine readExtFeaturesConfig
 
 
@@ -273,9 +248,6 @@ subroutine readSubnetArchitecture(fname, type, activation, topology)
     ! currently only the BPNN topology is supported
     type = 'bpnn'
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the netstat file
     call h5fopen_f(fname, H5F_ACC_RDONLY_F, file_id, iErr)
 
@@ -333,9 +305,6 @@ subroutine readSubnetArchitecture(fname, type, activation, topology)
     ! close the netstat file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine readSubnetArchitecture
 
 
@@ -364,9 +333,6 @@ subroutine writeBpnnHeader(fname, bpnn, nGlobalTargets, nAtomicTargets)
     integer(hsize_t) :: dims(1)
     integer :: iErr, iNet, iLayer
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the netstat file
     call h5fopen_f(fname, H5F_ACC_RDWR_F, file_id, iErr)
 
@@ -433,9 +399,6 @@ subroutine writeBpnnHeader(fname, bpnn, nGlobalTargets, nAtomicTargets)
     ! close the netstat file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine writeBpnnHeader
 
 
@@ -455,9 +418,6 @@ subroutine writeExtFeaturesConfig(fname, ext)
     integer(hsize_t) :: dim
     integer :: iErr, tExist
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the netstat file
     call h5fopen_f(fname, H5F_ACC_RDWR_F, file_id, iErr)
 
@@ -490,9 +450,6 @@ subroutine writeExtFeaturesConfig(fname, ext)
     ! close the netstat file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine writeExtFeaturesConfig
 
 end module fnet_netstat
diff --git a/prog/fortnet/lib_nn/bpnn.F90 b/prog/fortnet/lib_nn/bpnn.F90
@@ -11,7 +11,6 @@
 module fnet_bpnn
 
   use h5lt
-  use hdf5
 
   use dftbp_message, only : error
   use dftbp_globalenv, only : stdOut
@@ -1077,9 +1076,6 @@ subroutine TBpnn_toFile(this, fname)
     !! auxiliary variables
     integer :: iErr, iNet, iLayer, tExist
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the netstat file
     call h5fopen_f(fname, H5F_ACC_RDWR_F, file_id, iErr)
 
@@ -1138,9 +1134,6 @@ subroutine TBpnn_toFile(this, fname)
     ! close the netstat file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine TBpnn_toFile
 
 
@@ -1181,9 +1174,6 @@ subroutine TBpnn_fromFile(this, fname)
     !! auxiliary variables
     integer :: iErr, iNet, iLayer
 
-    ! open the hdf5 interface
-    call h5open_f(iErr)
-
     ! open the netstat file
     call h5fopen_f(fname, H5F_ACC_RDONLY_F, file_id, iErr)
 
@@ -1295,9 +1285,6 @@ subroutine TBpnn_fromFile(this, fname)
     ! close the netstat file
     call h5fclose_f(file_id, iErr)
 
-    ! close the hdf5 interface
-    call h5close_f(iErr)
-
   end subroutine TBpnn_fromFile
 
 end module fnet_bpnn