add libxc@5.2.3+kxc

toolchains/foss2021a-cuda-mpi/spack.yaml

@@ -13,7 +13,7 @@ spack:
     - autoconf@2.71     # autotools 20210128 not in spack; manually
     - libtool@2.4.6
     - automake@1.16.3
-    - libxc@5.2.3       # octopus-dependencies:
+    - libxc@5.2.3+kxc       # octopus-dependencies:
     - gsl@2.7
     - sparskit@develop  # 2021.06.01
     - elpa@2021.11.001+cuda cuda_arch=70 ^cuda@11.4  # elpa@2020.05.001

toolchains/foss2021a-mpi/spack.yaml

@@ -12,7 +12,7 @@ spack:
     - autoconf@2.71     # autotools 20210128 not in spack; manually
     - libtool@2.4.6
     - automake@1.16.3
-    - libxc@5.2.3      # octopus-dependencies:
+    - libxc@5.2.3+kxc      # octopus-dependencies:
     - gsl@2.7
     - sparskit@develop  # 2021.06.01
     - elpa@2021.11.001  # elpa@2020.05.001

toolchains/foss2021a-serial/spack.yaml

@@ -9,7 +9,7 @@ spack:
     - autoconf@2.71     # autotools 20210128 not in spack; manually
     - libtool@2.4.6
     - automake@1.16.3
-    - libxc@5.2.3       # octopus-dependencies:
+    - libxc@5.2.3+kxc       # octopus-dependencies:
     - gsl@2.7
     - sparskit@develop  # 2021.06.01
     - nlopt@2.7.0

toolchains/foss2022a-cuda-mpi/spack.yaml

@@ -13,7 +13,7 @@ spack:
     - autoconf@2.71     # autotools 20210128 not in spack; manually
     - libtool@2.4.7
     - automake@1.16.5
-    - libxc@5.2.3       # octopus-dependencies:
+    - libxc@5.2.3+kxc       # octopus-dependencies:
     - gsl@2.7.1
     - sparskit@develop  # 2021.06.01
     - elpa@2021.11.001+cuda cuda_arch=70 ^cuda@11.4+allow-unsupported-compilers  # elpa@2020.05.001

toolchains/foss2022a-mpi/spack.yaml

@@ -12,7 +12,7 @@ spack:
     - autoconf@2.71     # autotools 20210128 not in spack; manually
     - libtool@2.4.7
     - automake@1.16.5
-    - libxc@5.2.3       # octopus-dependencies:
+    - libxc@5.2.3+kxc       # octopus-dependencies:
     - gsl@2.7.1
     - sparskit@develop  # 2021.06.01
     - elpa@2021.11.001  # elpa@2020.05.001

toolchains/foss2022a-serial/spack.yaml

@@ -9,7 +9,7 @@ spack:
     - autoconf@2.71     # autotools 20210128 not in spack; manually
     - libtool@2.4.7
     - automake@1.16.5
-    - libxc@5.2.3       # octopus-dependencies:
+    - libxc@5.2.3+kxc       # octopus-dependencies:
     - gsl@2.7.1
     - sparskit@develop  # 2021.06.01
     - nlopt@2.7.0