Add missing libraries

cp2k · Aug 28, 2023 · c08aeba · c08aeba
1 parent 9ee5af4
commit c08aeba
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Showing 8 changed files with 112 additions and 96 deletions.
diff --git a/arch/CRAY-XC40-gnu.psmp b/arch/CRAY-XC40-gnu.psmp
@@ -234,6 +234,17 @@ ifneq ($(USE_SIRIUS),)
    LIBS           += $(LIBVDWXC_LIB)/libvdwxc.a
 endif
 
+ifneq ($(USE_HDF5),)
+   USE_HDF5       := $(strip $(USE_HDF5))
+   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
+   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
+   CFLAGS         += -I$(HDF5_INC)
+   DFLAGS         += -D__HDF5
+   LIBS           += $(HDF5_LIB)/libhdf5_fortran.a
+   LIBS           += $(HDF5_LIB)/libhdf5_hl.a
+   LIBS           += $(HDF5_LIB)/libhdf5.a
+endif
+
 ifneq ($(USE_COSMA),)
    USE_COSMA      := $(strip $(USE_COSMA))
    COSMA_INC      := $(INSTALL_PATH)/COSMA-$(USE_COSMA)/include
@@ -254,15 +265,6 @@ ifneq ($(USE_GSL),)
    LIBS           += $(GSL_LIB)/libgsl.a
 endif
 
-ifneq ($(USE_HDF5),)
-   USE_HDF5       := $(strip $(USE_HDF5))
-   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
-   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
-   CFLAGS         += -I$(HDF5_INC)
-   DFLAGS         += -D__HDF5
-   LIBS           += $(HDF5_LIB)/libhdf5.a
-endif
-
 CFLAGS         += $(DFLAGS)
 
 FCFLAGS        := $(CFLAGS)

diff --git a/arch/CRAY-XC50-gnu.psmp b/arch/CRAY-XC50-gnu.psmp
@@ -259,6 +259,17 @@ ifneq ($(USE_SIRIUS),)
    LIBS           += $(LIBVDWXC_LIB)/libvdwxc.a
 endif
 
+ifneq ($(USE_HDF5),)
+   USE_HDF5       := $(strip $(USE_HDF5))
+   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
+   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
+   CFLAGS         += -I$(HDF5_INC)
+   DFLAGS         += -D__HDF5
+   LIBS           += $(HDF5_LIB)/libhdf5_fortran.a
+   LIBS           += $(HDF5_LIB)/libhdf5_hl.a
+   LIBS           += $(HDF5_LIB)/libhdf5.a
+endif
+
 ifneq ($(USE_COSMA),)
    USE_COSMA      := $(strip $(USE_COSMA))
    ifeq ($(USE_ACC), yes)
@@ -283,15 +294,6 @@ ifneq ($(USE_GSL),)
    LIBS           += $(GSL_LIB)/libgsl.a
 endif
 
-ifneq ($(USE_HDF5),)
-   USE_HDF5       := $(strip $(USE_HDF5))
-   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
-   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
-   CFLAGS         += -I$(HDF5_INC)
-   DFLAGS         += -D__HDF5
-   LIBS           += $(HDF5_LIB)/libhdf5.a
-endif
-
 CFLAGS         += $(DFLAGS)
 
 CXXFLAGS       := $(CFLAGS) -std=c++11

diff --git a/arch/Darwin-gnu-arm64.psmp b/arch/Darwin-gnu-arm64.psmp
@@ -229,6 +229,21 @@ ifneq ($(USE_SIRIUS),)
    endif
 endif
 
+ifneq ($(USE_HDF5),)
+   USE_HDF5       := $(strip $(USE_HDF5))
+   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
+   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
+   CFLAGS         += -I$(HDF5_INC)
+   DFLAGS         += -D__HDF5
+   ifeq ($(SHARED), yes)
+      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5_fortran -lhdf5_hl -lhdf5
+   else
+      LIBS           += $(HDF5_LIB)/libhdf5_fortran.a
+      LIBS           += $(HDF5_LIB)/libhdf5_hl.a
+      LIBS           += $(HDF5_LIB)/libhdf5.a
+   endif
+endif
+
 ifneq ($(USE_COSMA),)
    USE_COSMA      := $(strip $(USE_COSMA))
    COSMA_INC      := $(INSTALL_PATH)/COSMA-$(USE_COSMA)/include
@@ -293,19 +308,6 @@ ifneq ($(USE_GSL),)
    endif
 endif
 
-ifneq ($(USE_HDF5),)
-   USE_HDF5       := $(strip $(USE_HDF5))
-   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
-   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
-   CFLAGS         += -I$(HDF5_INC)
-   DFLAGS         += -D__HDF5
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5
-   else
-      LIBS           += $(HDF5_LIB)/libhdf5.a
-   endif
-endif
-
 CFLAGS         += $(DFLAGS)
 
 FCFLAGS        := $(CFLAGS) $(FCFLAGS_DEBUG) $(WFLAGS)

diff --git a/arch/JURECA-cpu.psmp b/arch/JURECA-cpu.psmp
@@ -321,6 +321,21 @@ ifneq ($(USE_SIRIUS),)
    endif
 endif
 
+ifneq ($(USE_HDF5),)
+   USE_HDF5       := $(strip $(USE_HDF5))
+   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
+   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
+   CFLAGS         += -I$(HDF5_INC)
+   DFLAGS         += -D__HDF5
+   ifeq ($(SHARED), yes)
+      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5_fortran -lhdf5_hl -lhdf5
+   else
+      LIBS           += $(HDF5_LIB)/libhdf5_fortran.a
+      LIBS           += $(HDF5_LIB)/libhdf5_hl.a
+      LIBS           += $(HDF5_LIB)/libhdf5.a
+   endif
+endif
+
 ifneq ($(USE_COSMA),)
    USE_COSMA      := $(strip $(USE_COSMA))
    ifeq ($(USE_ACC), yes)
@@ -382,19 +397,6 @@ ifneq ($(USE_GSL),)
    endif
 endif
 
-ifneq ($(USE_HDF5),)
-   USE_HDF5       := $(strip $(USE_HDF5))
-   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
-   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
-   CFLAGS         += -I$(HDF5_INC)
-   DFLAGS         += -D__HDF5
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5
-   else
-      LIBS           += $(HDF5_LIB)/libhdf5.a
-   endif
-endif
-
 ifneq ($(USE_OPENBLAS),)
    USE_OPENBLAS   := $(strip $(USE_OPENBLAS))
    OPENBLAS_INC   := $(INSTALL_PATH)/openblas-$(USE_OPENBLAS)/include

diff --git a/arch/JURECA-gpu.psmp b/arch/JURECA-gpu.psmp
@@ -322,6 +322,21 @@ ifneq ($(USE_SIRIUS),)
    endif
 endif
 
+ifneq ($(USE_HDF5),)
+   USE_HDF5       := $(strip $(USE_HDF5))
+   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
+   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
+   CFLAGS         += -I$(HDF5_INC)
+   DFLAGS         += -D__HDF5
+   ifeq ($(SHARED), yes)
+      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5_fortran -lhdf5_hl -lhdf5
+   else
+      LIBS           += $(HDF5_LIB)/libhdf5_fortran.a
+      LIBS           += $(HDF5_LIB)/libhdf5_hl.a
+      LIBS           += $(HDF5_LIB)/libhdf5.a
+   endif
+endif
+
 ifneq ($(USE_COSMA),)
    USE_COSMA      := $(strip $(USE_COSMA))
    ifeq ($(USE_ACC), yes)
@@ -383,19 +398,6 @@ ifneq ($(USE_GSL),)
    endif
 endif
 
-ifneq ($(USE_HDF5),)
-   USE_HDF5       := $(strip $(USE_HDF5))
-   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
-   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
-   CFLAGS         += -I$(HDF5_INC)
-   DFLAGS         += -D__HDF5
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5
-   else
-      LIBS           += $(HDF5_LIB)/libhdf5.a
-   endif
-endif
-
 ifneq ($(USE_OPENBLAS),)
    USE_OPENBLAS   := $(strip $(USE_OPENBLAS))
    OPENBLAS_INC   := $(INSTALL_PATH)/openblas-$(USE_OPENBLAS)/include

diff --git a/arch/Linux-gnu-aarch64.psmp b/arch/Linux-gnu-aarch64.psmp
@@ -289,6 +289,21 @@ ifneq ($(USE_SIRIUS),)
    endif
 endif
 
+ifneq ($(USE_HDF5),)
+   USE_HDF5       := $(strip $(USE_HDF5))
+   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
+   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
+   CFLAGS         += -I$(HDF5_INC)
+   DFLAGS         += -D__HDF5
+   ifeq ($(SHARED), yes)
+      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5_fortran -lhdf5_hl -lhdf5
+   else
+      LIBS           += $(HDF5_LIB)/libhdf5_fortran.a
+      LIBS           += $(HDF5_LIB)/libhdf5_hl.a
+      LIBS           += $(HDF5_LIB)/libhdf5.a
+   endif
+endif
+
 ifneq ($(USE_COSMA),)
    USE_COSMA      := $(strip $(USE_COSMA))
    COSMA_INC      := $(INSTALL_PATH)/COSMA-$(USE_COSMA)/include
@@ -341,19 +356,6 @@ ifneq ($(USE_GSL),)
    endif
 endif
 
-ifneq ($(USE_HDF5),)
-   USE_HDF5       := $(strip $(USE_HDF5))
-   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
-   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
-   CFLAGS         += -I$(HDF5_INC)
-   DFLAGS         += -D__HDF5
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5
-   else
-      LIBS           += $(HDF5_LIB)/libhdf5.a
-   endif
-endif
-
 ifneq ($(USE_OPENBLAS),)
    USE_OPENBLAS   := $(strip $(USE_OPENBLAS))
    OPENBLAS_INC   := $(INSTALL_PATH)/openblas-$(USE_OPENBLAS)/include

diff --git a/arch/Linux-gnu-x86_64.psmp b/arch/Linux-gnu-x86_64.psmp
@@ -303,6 +303,21 @@ ifneq ($(USE_SIRIUS),)
    endif
 endif
 
+ifneq ($(USE_HDF5),)
+   USE_HDF5       := $(strip $(USE_HDF5))
+   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
+   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
+   CFLAGS         += -I$(HDF5_INC)
+   DFLAGS         += -D__HDF5
+   ifeq ($(SHARED), yes)
+      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5_fortran -lhdf5_hl -lhdf5
+   else
+      LIBS           += $(HDF5_LIB)/libhdf5_fortran.a
+      LIBS           += $(HDF5_LIB)/libhdf5_hl.a
+      LIBS           += $(HDF5_LIB)/libhdf5.a
+   endif
+endif
+
 ifneq ($(USE_COSMA),)
    USE_COSMA      := $(strip $(USE_COSMA))
    COSMA_INC      := $(INSTALL_PATH)/COSMA-$(USE_COSMA)/include
@@ -355,19 +370,6 @@ ifneq ($(USE_GSL),)
    endif
 endif
 
-ifneq ($(USE_HDF5),)
-   USE_HDF5       := $(strip $(USE_HDF5))
-   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
-   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
-   CFLAGS         += -I$(HDF5_INC)
-   DFLAGS         += -D__HDF5
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5
-   else
-      LIBS           += $(HDF5_LIB)/libhdf5.a
-   endif
-endif
-
 ifneq ($(USE_OPENBLAS),)
    USE_OPENBLAS   := $(strip $(USE_OPENBLAS))
    OPENBLAS_INC   := $(INSTALL_PATH)/openblas-$(USE_OPENBLAS)/include

diff --git a/arch/Linux-intel-x86_64.psmp b/arch/Linux-intel-x86_64.psmp
@@ -259,6 +259,21 @@ ifneq ($(USE_SIRIUS),)
    endif
 endif
 
+ifneq ($(USE_HDF5),)
+   USE_HDF5       := $(strip $(USE_HDF5))
+   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
+   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
+   CFLAGS         += -I$(HDF5_INC)
+   DFLAGS         += -D__HDF5
+   ifeq ($(SHARED), yes)
+      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5_fortran -lhdf5_hl -lhdf5
+   else
+      LIBS           += $(HDF5_LIB)/libhdf5_fortran.a
+      LIBS           += $(HDF5_LIB)/libhdf5_hl.a
+      LIBS           += $(HDF5_LIB)/libhdf5.a
+   endif
+endif
+
 ifneq ($(USE_COSMA),)
    USE_COSMA      := $(strip $(USE_COSMA))
    COSMA_INC      := $(INSTALL_PATH)/COSMA-$(USE_COSMA)/include
@@ -287,19 +302,6 @@ ifneq ($(USE_GSL),)
    endif
 endif
 
-ifneq ($(USE_HDF5),)
-   USE_HDF5       := $(strip $(USE_HDF5))
-   HDF5_INC       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/include
-   HDF5_LIB       := $(INSTALL_PATH)/hdf5-$(USE_HDF5)/lib
-   CFLAGS         += -I$(HDF5_INC)
-   DFLAGS         += -D__HDF5
-   ifeq ($(SHARED), yes)
-      LIBS           += -Wl,-rpath,$(HDF5_LIB) -L$(HDF5_LIB) -lhdf5
-   else
-      LIBS           += $(HDF5_LIB)/libhdf5.a
-   endif
-endif
-
 ifeq ($(SHARED), yes)
    LIBS           += -Wl,-rpath=$(MKL_LIB) -L$(MKL_LIB) -lmkl_scalapack_lp64
    LIBS           += -Wl,--start-group