Update arch files to libxc 5.1.4

cp2k · May 15, 2021 · 6563a20 · 6563a20
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commit 6563a20
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Showing 7 changed files with 26 additions and 26 deletions.
diff --git a/arch/CRAY-XC40_gnu.psmp b/arch/CRAY-XC40_gnu.psmp
@@ -1,5 +1,5 @@
 # Tested with: GFortran 8.3.0, MPICH 3.2.1, Cray-libsci 20.09.1, Cray-FFTW 3.3.8, Libint 2.6.0,
-#              LIBXC 5.1.3, LIBVORI 210412, LIBXSMM 1.16.1, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0
+#              LIBXC 5.1.4, LIBVORI 210412, LIBXSMM 1.16.1, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0
 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, May 2021)
 
 # Cray XC40 (Piz Daint, CSCS, multi-core partition)
@@ -31,8 +31,8 @@ LIBINT_LIB  = $(GNU_PATH)/libint/2.6.0-lmax-6/lib
 
 LIBVORI_LIB = $(GNU_PATH)/libvori/210412/lib
 
-LIBXC_INC   = $(GNU_PATH)/libxc/5.1.3/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.3/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.4/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4/lib
 
 LIBXSMM_INC = $(GNU_PATH)/libxsmm/1.16.1/include
 LIBXSMM_LIB = $(GNU_PATH)/libxsmm/1.16.1/lib

diff --git a/arch/CRAY-XC50_gnu.psmp b/arch/CRAY-XC50_gnu.psmp
@@ -1,6 +1,6 @@
 # Tested with: GFortran 8.3.0, MPICH 3.2.1, Cray-libsci 20.09.1, Cray-FFTW 3.3.8, Libint 2.6.0,
-#              LIBXC 5.1.3, LIBVORI 210412, LIBXSMM 1.16.1, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0
-# Author: Matthias Krack (matthias.krack@psi.ch, PSI, May 13)
+#              LIBXC 5.1.4, LIBVORI 210412, LIBXSMM 1.16.1, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0
+# Author: Matthias Krack (matthias.krack@psi.ch, PSI, May 2021)
 
 # Cray XC50 (Piz Daint, CSCS, GPU partition)
 
@@ -36,8 +36,8 @@ LIBINT_LIB  = $(GNU_PATH)/libint/2.6.0-lmax-6/lib
 
 LIBVORI_LIB = $(GNU_PATH)/libvori/210412/lib
 
-LIBXC_INC   = $(GNU_PATH)/libxc/5.1.3/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.3/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.4/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4/lib
 
 LIBXSMM_INC = $(GNU_PATH)/libxsmm/1.16.1/include
 LIBXSMM_LIB = $(GNU_PATH)/libxsmm/1.16.1/lib

diff --git a/arch/Linux-x86-64-gfortran-generic.ssmp b/arch/Linux-x86-64-gfortran-generic.ssmp
@@ -1,6 +1,6 @@
 # Tested with: GFortran 8.3.0, LAPACK 3.9.0, FFTW 3.3, LIBINT 2.6.0,
-#              LIBXC 5.1.3, SPGLIB 1.16.0, LIBVORI 210412
-# Author: Matthias Krack (matthias.krack@psi.ch, PSI, April 2021)
+#              LIBXC 5.1.4, SPGLIB 1.16.0, LIBVORI 210412
+# Author: Matthias Krack (matthias.krack@psi.ch, PSI, May 2021)
 
 CC          = gcc
 FC          = gfortran
@@ -15,8 +15,8 @@ LIBINT_LIB  = $(GNU_PATH)/libint/2.6.0-lmax-4-generic/lib
 
 LIBVORI_LIB = $(GNU_PATH)/libvori/210412-generic/lib
 
-LIBXC_INC   = $(GNU_PATH)/libxc/5.1.3-generic/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.3-generic/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.4-generic/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4-generic/lib
 
 SPGLIB_INC  = $(GNU_PATH)/spglib/1.16.0-generic/include
 SPGLIB_LIB  = $(GNU_PATH)/spglib/1.16.0-generic/lib

diff --git a/arch/Linux-x86-64-gfortran-regtest.psmp b/arch/Linux-x86-64-gfortran-regtest.psmp
@@ -1,7 +1,7 @@
 # Tested with: GFortran 8.3.0, MPICH 3.3, LAPACK 3.9.0, ScaLAPACK 2.0.2, FFTW 3.3,
-#              LIBINT 2.6.0, LIBXC 5.1.3, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
+#              LIBINT 2.6.0, LIBXC 5.1.4, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
 #              LIBVORI 210412
-# Author: Matthias Krack (matthias.krack@psi.ch, PSI, April 2021)
+# Author: Matthias Krack (matthias.krack@psi.ch, PSI, May 2021)
 
 CC          = mpicc
 FC          = mpif90
@@ -22,8 +22,8 @@ LIBINT_LIB  = $(GNU_PATH)/libint/2.6.0-lmax-4-regtest/lib
 
 LIBVORI_LIB = $(GNU_PATH)/libvori/210412-regtest/lib
 
-LIBXC_INC   = $(GNU_PATH)/libxc/5.1.3-regtest/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.3-regtest/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.4-regtest/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4-regtest/lib
 
 SPGLIB_INC  = $(GNU_PATH)/spglib/1.16.0-regtest/include
 SPGLIB_LIB  = $(GNU_PATH)/spglib/1.16.0-regtest/lib

diff --git a/arch/Linux-x86-64-gfortran.psmp b/arch/Linux-x86-64-gfortran.psmp
@@ -1,7 +1,7 @@
 # Tested with: GFortran 8.3.0, MPICH 3.3, LAPACK 3.9.0, ScaLAPACK 2.0.2, FFTW 3.3,
-#              LIBINT 2.6.0, LIBXC 5.1.3, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
+#              LIBINT 2.6.0, LIBXC 5.1.4, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
 #              LIBVORI 210412, LIBXSMM 1.16.1
-# Author: Matthias Krack (matthias.krack@psi.ch, PSI, April 2021)
+# Author: Matthias Krack (matthias.krack@psi.ch, PSI, May 2021)
 
 CC          = mpicc
 FC          = mpif90
@@ -22,8 +22,8 @@ LIBINT_LIB  = $(GNU_PATH)/libint/2.6.0-lmax-6/lib
 
 LIBVORI_LIB = $(GNU_PATH)/libvori/210412/lib
 
-LIBXC_INC   = $(GNU_PATH)/libxc/5.1.3/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.3/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.4/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4/lib
 
 LIBXSMM_INC = $(GNU_PATH)/libxsmm/1.16.1/include
 LIBXSMM_LIB = $(GNU_PATH)/libxsmm/1.16.1/lib

diff --git a/arch/Linux-x86-64-gfortran.ssmp b/arch/Linux-x86-64-gfortran.ssmp
@@ -1,6 +1,6 @@
 # Tested with: GFortran 8.3.0, LAPACK 3.9.0, FFTW 3.3, LIBINT 2.6.0,
-#              LIBXC 5.1.3, SPGLIB 1.16.0, LIBVORI 210412, LIBXSMM 1.16.1
-# Author: Matthias Krack (matthias.krack@psi.ch, PSI, April 2021)
+#              LIBXC 5.1.4, SPGLIB 1.16.0, LIBVORI 210412, LIBXSMM 1.16.1
+# Author: Matthias Krack (matthias.krack@psi.ch, PSI, May 2021)
 
 CC          = gcc
 FC          = gfortran
@@ -15,8 +15,8 @@ LIBINT_LIB  = $(GNU_PATH)/libint/2.6.0-lmax-6/lib
 
 LIBVORI_LIB = $(GNU_PATH)/libvori/210412/lib
 
-LIBXC_INC   = $(GNU_PATH)/libxc/5.1.3/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.3/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.4/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4/lib
 
 LIBXSMM_INC = $(GNU_PATH)/libxsmm/1.16.1/include
 LIBXSMM_LIB = $(GNU_PATH)/libxsmm/1.16.1/lib

diff --git a/arch/Linux-x86-64-intel-regtest.psmp b/arch/Linux-x86-64-intel-regtest.psmp
@@ -2,7 +2,7 @@
 #              Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.1.1.217 Build 20200306
 #              Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.1.3.304 Build 20200925
 #              Intel(R) Fortran Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.1 Build 20201112
-#              Intel MPI, MKL, LIBINT 2.6.0, LIBXC 5.1.3, LIBXSMM 1.16.1, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
+#              Intel MPI, MKL, LIBINT 2.6.0, LIBXC 5.1.4, LIBXSMM 1.16.1, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
 #              LIBVORI 210412
 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, April 2021)
 
@@ -22,8 +22,8 @@ LIBINT_LIB  = $(INTEL_PATH)/libint/2.6.0-lmax-4/lib
 
 LIBVORI_LIB = $(INTEL_PATH)/libvori/210412/lib
 
-LIBXC_INC   = $(INTEL_PATH)/libxc/5.1.3/include
-LIBXC_LIB   = $(INTEL_PATH)/libxc/5.1.3/lib
+LIBXC_INC   = $(INTEL_PATH)/libxc/5.1.4/include
+LIBXC_LIB   = $(INTEL_PATH)/libxc/5.1.4/lib
 
 LIBXSMM_INC = $(INTEL_PATH)/libxsmm/1.16.1/include
 LIBXSMM_LIB = $(INTEL_PATH)/libxsmm/1.16.1/lib