Update arch file to libxc 5.1.5

cp2k · Jul 26, 2021 · 05d8a1e · 05d8a1e
1 parent cd42411
commit 05d8a1e
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Showing 8 changed files with 29 additions and 29 deletions.
diff --git a/arch/CRAY-XC40_gnu-mkl.psmp b/arch/CRAY-XC40_gnu-mkl.psmp
@@ -1,7 +1,7 @@
 # Tested with: GFortran 8.3.0, MPICH 3.2.1, MKL 19.1.1.217, Libint 2.6.0,
-#              LIBXC 5.1.4, LIBVORI 210412, ELPA 2020.11.001, PLUMED 2.6.2,
+#              LIBXC 5.1.5, LIBVORI 210412, ELPA 2020.11.001, PLUMED 2.6.2,
 #              SPGLIB 1.16.0
-# Author: Matthias Krack (matthias.krack@psi.ch, PSI, May 2021)
+# Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 2021)
 
 # Cray XC40 (Piz Daint, CSCS, multi-core 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/5.1.4/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.5/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.5/lib
 
 SPGLIB_INC  = $(GNU_PATH)/spglib/1.16.0/include
 SPGLIB_LIB  = $(GNU_PATH)/spglib/1.16.0/lib

diff --git a/arch/CRAY-XC40_gnu.psmp b/arch/CRAY-XC40_gnu.psmp
@@ -1,7 +1,7 @@
 # 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 5.1.4, LIBVORI 210412, LIBXSMM 1.16.1, ELPA 2021.05.001, PLUMED 2.6.2, 
+#              LIBXC 5.1.5, LIBVORI 210412, LIBXSMM 1.16.1, ELPA 2021.05.001, PLUMED 2.6.2, 
 #              SPGLIB 1.16.0, GSL 2.6, SIRIUS 7.0.2. COSMA 2.5.0
-# Author: Matthias Krack (matthias.krack@psi.ch, PSI, June 2021)
+# Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 2021)
 
 # Cray XC40 (Piz Daint, CSCS, multi-core partition)
 
@@ -39,8 +39,8 @@ LIBINT_LIB  = $(GNU_PATH)/libint/2.6.0-lmax-6/lib
 
 LIBVORI_LIB = $(GNU_PATH)/libvori/210412/lib
 
-LIBXC_INC   = $(GNU_PATH)/libxc/5.1.4/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.5/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.5/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
@@ -1,7 +1,7 @@
 # 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 5.1.4, LIBVORI 210412, LIBXSMM 1.16.1, ELPA 2021.05.001, PLUMED 2.6.2,
+#              LIBXC 5.1.5, LIBVORI 210412, LIBXSMM 1.16.1, ELPA 2021.05.001, PLUMED 2.6.2,
 #              SPGLIB 1.16.0, GSL 2.6, SIRIUS 7.0.2, COSMA 2.5.0
-# Author: Matthias Krack (matthias.krack@psi.ch, PSI, June 2021)
+# Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 2021)
 
 # Cray XC50 (Piz Daint, CSCS, GPU partition)
 
@@ -44,8 +44,8 @@ LIBINT_LIB  = $(GNU_PATH)/libint/2.6.0-lmax-6/lib
 
 LIBVORI_LIB = $(GNU_PATH)/libvori/210412/lib
 
-LIBXC_INC   = $(GNU_PATH)/libxc/5.1.4/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.5/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.5/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 3.9.1, FFTW 3.3.9, LIBINT 2.6.0,
-#              LIBXC 5.1.4, SPGLIB 1.16.0, LIBVORI 210412
-# Author: Matthias Krack (matthias.krack@psi.ch, PSI, May 2021)
+#              LIBXC 5.1.5, SPGLIB 1.16.0, LIBVORI 210412
+# Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 2021)
 
 CC          = gcc
 FC          = gfortran
@@ -15,8 +15,8 @@ LIBINT_LIB  = $(GNU_PATH)/libint/2.6.0-lmax-4/lib
 
 LIBVORI_LIB = $(GNU_PATH)/libvori/210412/lib
 
-LIBXC_INC   = $(GNU_PATH)/libxc/5.1.4/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.5/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.5/lib
 
 SPGLIB_INC  = $(GNU_PATH)/spglib/1.16.0/include
 SPGLIB_LIB  = $(GNU_PATH)/spglib/1.16.0/lib

diff --git a/arch/Linux-x86-64-gfortran-regtest.psmp b/arch/Linux-x86-64-gfortran-regtest.psmp
@@ -1,5 +1,5 @@
 # Tested with: GFortran 8.3.0, MPICH 3.3, LAPACK 3.9.1, ScaLAPACK 6819b24, FFTW 3.3.9,
-#              LIBINT 2.6.0, LIBXC 5.1.4, ELPA 2021.05.001, PLUMED 2.6.2, SPGLIB 1.16.0,
+#              LIBINT 2.6.0, LIBXC 5.1.5, ELPA 2021.05.001, PLUMED 2.6.2, SPGLIB 1.16.0,
 #              LIBVORI 210412, SIRIUS 7.2.5, OpenBLAS 0.3.15, COSMA 2.5.1
 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 2021)
 
@@ -25,8 +25,8 @@ LIBINT_LIB  = $(GNU_PATH)/libint/2.6.0-lmax-4/lib
 
 LIBVORI_LIB = $(GNU_PATH)/libvori/210412/lib
 
-LIBXC_INC   = $(GNU_PATH)/libxc/5.1.4/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.5/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.5/lib
 
 SIRIUS_INC  = $(GNU_PATH)/sirius/7.2.5/include
 SIRIUS_LIB  = $(GNU_PATH)/sirius/7.2.5/lib

diff --git a/arch/Linux-x86-64-gfortran.psmp b/arch/Linux-x86-64-gfortran.psmp
@@ -1,5 +1,5 @@
 # Tested with: GFortran 8.3.0, MPICH 3.3, LAPACK 3.9.1, ScaLAPACK 6819b24, FFTW 3.3.9,
-#              LIBINT 2.6.0, LIBXC 5.1.4, ELPA 2021.05.001, PLUMED 2.6.2, SPGLIB 1.16.0,
+#              LIBINT 2.6.0, LIBXC 5.1.5, ELPA 2021.05.001, PLUMED 2.6.2, SPGLIB 1.16.0,
 #              LIBVORI 210412, LIBXSMM 1.16.1, SIRIUS 7.2.5, OpenBLAS 0.3.15, COSMA 2.5.1
 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 2021)
 
@@ -25,8 +25,8 @@ LIBINT_LIB  = $(GNU_PATH)/libint/2.6.0-lmax-6/lib
 
 LIBVORI_LIB = $(GNU_PATH)/libvori/210412/lib
 
-LIBXC_INC   = $(GNU_PATH)/libxc/5.1.4/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.5/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.5/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 3.9.1, FFTW 3.3.9, LIBINT 2.6.0,
-#              LIBXC 5.1.4, SPGLIB 1.16.0, LIBVORI 210412, LIBXSMM 1.16.1
-# Author: Matthias Krack (matthias.krack@psi.ch, PSI, May 2021)
+#              LIBXC 5.1.5, SPGLIB 1.16.0, LIBVORI 210412, LIBXSMM 1.16.1
+# Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 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/5.1.4/include
-LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.4/lib
+LIBXC_INC   = $(GNU_PATH)/libxc/5.1.5/include
+LIBXC_LIB   = $(GNU_PATH)/libxc/5.1.5/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
@@ -1,7 +1,7 @@
 # Tested with: 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 5.1.4, LIBXSMM 1.16.1, ELPA 2021.05.001, PLUMED 2.6.2, SPGLIB 1.16.0,
+#              Intel MPI, MKL, LIBINT 2.6.0, LIBXC 5.1.5, LIBXSMM 1.16.1, ELPA 2021.05.001, PLUMED 2.6.2, SPGLIB 1.16.0,
 #              LIBVORI 210412, SIRIUS 7.2.5
 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 2021)
 
@@ -21,8 +21,8 @@ LIBINT_LIB  = $(INTEL_PATH)/libint/2.6.0-lmax-4/lib
 
 LIBVORI_LIB = $(INTEL_PATH)/libvori/210412/lib
 
-LIBXC_INC   = $(INTEL_PATH)/libxc/5.1.4/include
-LIBXC_LIB   = $(INTEL_PATH)/libxc/5.1.4/lib
+LIBXC_INC   = $(INTEL_PATH)/libxc/5.1.5/include
+LIBXC_LIB   = $(INTEL_PATH)/libxc/5.1.5/lib
 
 LIBXSMM_INC = $(INTEL_PATH)/libxsmm/1.16.1/include
 LIBXSMM_LIB = $(INTEL_PATH)/libxsmm/1.16.1/lib