diff --git a/README.md b/README.md index a0e03285..05ba3c9e 100644 --- a/README.md +++ b/README.md @@ -50,4 +50,4 @@ DOI for the specific version you have used in any given study. ## Version number -CONQUEST is now at version 1.4 (tag:v1.4) +CONQUEST is now at version 1.5 (tag:v1.5) diff --git a/docs/conf.py b/docs/conf.py index e139dcfd..55aaf60f 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -55,7 +55,7 @@ # General information about the project. project = u'CONQUEST' -copyright = u'2018-2024, CONQUEST Developers' +copyright = u'2018-2026, CONQUEST Developers' author = u'CONQUEST Developers' # The version info for the project you're documenting, acts as replacement for @@ -63,9 +63,9 @@ # built documents. # # The short X.Y version. -version = u'1.4' +version = u'1.5' # The full version, including alpha/beta/rc tags. -release = u'1.4' +release = u'1.5' # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. diff --git a/src/system/system.example.make b/src/system/system.example.make index 5dc76b5d..93a74702 100644 --- a/src/system/system.example.make +++ b/src/system/system.example.make @@ -31,10 +31,10 @@ SCALAPACK = -lscalapack #XC_COMPFLAGS = # LibXC compatibility -# Choose LibXC version: v4 (deprecated) or v5/6/7 (v5, v6 and v7 have the same interface) +# Choose LibXC version: v4 (deprecated) or v5 (v5, v6 and v7 have the same interface) #XC_LIBRARY = LibXC_v4 -XC_LIBRARY = LibXC_v5 #XC_LIB = -lxcf90 -lxc +XC_LIBRARY = LibXC_v5 XC_LIB = -lxcf03 -lxc XC_COMPFLAGS = -I/usr/local/include diff --git a/src/system/system.gha.make b/src/system/system.gha.make index 523187d7..80ff96a5 100644 --- a/src/system/system.gha.make +++ b/src/system/system.gha.make @@ -5,8 +5,9 @@ LINKFLAGS=-fopenmp -L/usr/lib -L/usr/lib/x86_64-linux-gnu # Set BLAS and LAPACK libraries BLAS= -llapack -lblas # LibXC compatibility (LibXC below) or Conquest XC library -XC_LIBRARY = LibXC_v5 +#XC_LIBRARY = LibXC_v4 #XC_LIB = -lxcf90 -lxc +XC_LIBRARY = LibXC_v5 XC_LIB = -lxcf03 -lxc XC_COMPFLAGS = -I/usr/include # Set FFT library diff --git a/src/system/system.kathleen.make b/src/system/system.kathleen.make index c863740b..3750bf98 100644 --- a/src/system/system.kathleen.make +++ b/src/system/system.kathleen.make @@ -28,10 +28,11 @@ OMP_DUMMY = #XC_COMPFLAGS = # LibXC compatibility -# Choose LibXC version: v4 (deprecated) or v5/6 (v5 and v6 have the same interface) +# Choose LibXC version: v4 (deprecated) or v5 (v5, v6 and v7 have the same interface) # XC_LIBRARY = LibXC_v4 +#XC_LIB = -lxcf90 -lxc XC_LIBRARY = LibXC_v5 -XC_LIB = -lxcf90 -lxc +XC_LIB = -lxcf03 -lxc XC_COMPFLAGS = -I/usr/local/include # Set FFT library diff --git a/src/system/system.mac.make b/src/system/system.mac.make index 915e72c3..b216b39c 100644 --- a/src/system/system.mac.make +++ b/src/system/system.mac.make @@ -31,10 +31,11 @@ SCALAPACK = -lscalapack #XC_COMPFLAGS = # LibXC compatibility -# Choose LibXC version: v4 (deprecated) or v5/6 (v5 and v6 have the same interface) +# Choose LibXC version: v4 (deprecated) or v5 (v5, v6 and v7 have the same interface) #XC_LIBRARY = LibXC_v4 +#XC_LIB = -lxcf90 -lxc XC_LIBRARY = LibXC_v5 -XC_LIB = -lxcf90 -lxc +XC_LIB = -lxcf03 -lxc XC_COMPFLAGS = -I/opt/homebrew/Cellar/libxc/6.2.2/include # Set FFT library diff --git a/src/system/system.myriad.make b/src/system/system.myriad.make index 73441f34..0bf80088 100644 --- a/src/system/system.myriad.make +++ b/src/system/system.myriad.make @@ -29,9 +29,11 @@ OMPFLAGS= -fopenmp #XC_COMPFLAGS = # LibXC compatibility -# Choose LibXC version: v4 (deprecated) or v5/6 (v5 and v6 have the same interface) +# Choose LibXC version: v4 (deprecated) or v5 (v5, v6 and v7 have the same interface) +#XC_LIBRARY = LibXC_v4 +#XC_LIB = -lxcf90 -lxc XC_LIBRARY = LibXC_v5 -XC_LIB = -lxcf90 -lxc +XC_LIB = -lxcf03 -lxc XC_COMPFLAGS = -I/usr/local/include # Compilation flags diff --git a/src/system/system.ubuntu.make b/src/system/system.ubuntu.make index ca71a5e8..df55cae1 100644 --- a/src/system/system.ubuntu.make +++ b/src/system/system.ubuntu.make @@ -22,8 +22,9 @@ BLAS= -llapack -lblas SCALAPACK = -lscalapack-openmpi # LibXC compatibility -# Choose LibXC version: v4 (deprecated) or v5/6 (v5 and v6 have the same interface) +# Choose LibXC version: v4 (deprecated) or v5 (v5, v6 and v7 have the same interface) # XC_LIBRARY = LibXC_v4 +#XC_LIB = -lxcf90 -lxc XC_LIBRARY = LibXC_v5 XC_LIB = -lxcf03 -lxc XC_COMPFLAGS = -I${HOME}/local/include -I/usr/local/include