From 0204c75a82af1eb3f4fa5c850d9f41d8f0997ffa Mon Sep 17 00:00:00 2001 From: David Bowler Date: Mon, 9 Feb 2026 11:48:46 +0000 Subject: [PATCH 1/2] Change version number and date --- README.md | 2 +- docs/conf.py | 6 +++--- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index a0e032853..05ba3c9ec 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 e139dcfd4..55aaf60f9 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. From fbf301f99eec036d989a91aa8df642a61e28c924 Mon Sep 17 00:00:00 2001 From: David Bowler Date: Wed, 25 Feb 2026 10:08:06 +0000 Subject: [PATCH 2/2] Update LibXC instructions and linking Make it clear that the options are v4 or v5 (which covers v5, v6 and v7) and update linking lines to use xcf03 for v5, v6 and v7. --- src/system/system.example.make | 4 ++-- src/system/system.gha.make | 3 ++- src/system/system.kathleen.make | 5 +++-- src/system/system.mac.make | 5 +++-- src/system/system.myriad.make | 6 ++++-- src/system/system.ubuntu.make | 3 ++- 6 files changed, 16 insertions(+), 10 deletions(-) diff --git a/src/system/system.example.make b/src/system/system.example.make index 5dc76b5dc..93a747020 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 523187d7e..80ff96a51 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 c863740b2..3750bf98c 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 915e72c35..b216b39cd 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 73441f34e..0bf80088b 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 ca71a5e86..df55cae19 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