Merge pull request wannier-developers#311 from giovannipizzi/release_3.1

Preparing release v3.1 of Wannier90
mkrack · Feb 19, 2020 · 6386cfe · 6386cfe
2 parents 6601c20 + 3506b0b
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diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -1,20 +1,34 @@
 # CHANGELOG of Wannier90
 
+## v3.1.0 (20th February 2020)
+
+### New features
+
+- Calculation of spin Hall conductivity according to the formalism given in Junfeng Qiao, Jiaqi Zhou, Zhe Yuan and Weisheng Zhao, PRB 98, 214402 (2018) + examples 29 and 30 and tests [[#264]](https://github.com/wannier-developers/wannier90/pull/264)
+
+- Implementation of the SCDM method in Wannier90 for spinor wavefunctions and added example31 for the tutorial [[#277]](https://github.com/wannier-developers/wannier90/pull/277)
+
+- Utility `w90spn2spn.x` for conversion between formatted and unformatted `.spn` files [[#274]](https://github.com/wannier-developers/wannier90/pull/274)
 
 ### Various improvements and bugfixes
 
-- Fix `pw90common_fourier_R_to_k` subroutines bugs when `use_ws_distance = .true.` [[#273]](https://github.com/wannier-developers/wannier90/pull/273)[[#271]](https://github.com/wannier-developers/wannier90/issues/271)
+- Add `install` target for `make`, now `make install` works [[#307]](https://github.com/wannier-developers/wannier90/pull/307)
 
-### New Wannier90 features
+- Added new documentation and fixed typos [[#308]](https://github.com/wannier-developers/wannier90/pull/308) [[#256]](https://github.com/wannier-developers/wannier90/pull/256) [[#306]](https://github.com/wannier-developers/wannier90/pull/306) [[#300]](https://github.com/wannier-developers/wannier90/pull/300)
 
-- Implementation of the SCDM method in Wannier90 for spinor wavefunctions and added example31 for the tutorial [[#277]](https://github.com/wannier-developers/wannier90/pull/277)
+- small restructuring of the routines for the AHC calculation with multiple Fermi energies and adaptive refinement [[#289]](https://github.com/wannier-developers/wannier90/pull/289)
 
+- Fix in restart mode (now gathering matrices before dumping `.chk` file) [[#283]](https://github.com/wannier-developers/wannier90/pull/283)
 
-### New postw90 features, optimizations and new post-processing codes
+- Fix `pw90common_fourier_R_to_k` subroutines bugs when `use_ws_distance = .true.` [[#273]](https://github.com/wannier-developers/wannier90/pull/273)[[#271]](https://github.com/wannier-developers/wannier90/issues/271)
+
+- Fixes and speed improvements in `pw2wannier90.f90` [[#295]](https://github.com/wannier-developers/wannier90/pull/295) [[#255]](https://github.com/wannier-developers/wannier90/pull/255)
+
+- Bug fixes of `gw2wannier90.py` and `k_mapper.py` [[#294]](https://github.com/wannier-developers/wannier90/pull/294)
 
-- Calculation of spin Hall conductivity according to the formalism given in Junfeng Qiao, Jiaqi Zhou, Zhe Yuan and Weisheng Zhao, PRB 98, 214402 (2018) + example 29,30 + test suites [[#264]](https://github.com/wannier-developers/wannier90/pull/264)
+- Various bugfixes in input reading and output generation [[#309]](https://github.com/wannier-developers/wannier90/pull/309) [[#290]](https://github.com/wannier-developers/wannier90/pull/290) [[#270]](https://github.com/wannier-developers/wannier90/pull/270) [[#266]](https://github.com/wannier-developers/wannier90/pull/266) [[#258]](https://github.com/wannier-developers/wannier90/pull/258)
 
-- Utility w90spn2spn.x for conversion between formatted and unformatted spn files [[#274]](https://github.com/wannier-developers/wannier90/pull/274)
+- Adding tests for BoltzWann (at least for the electrical conductivity) [[#282]](https://github.com/wannier-developers/wannier90/pull/282)
 
 ## v3.0.0 (27th February 2019)
 

diff --git a/Makefile b/Makefile
@@ -83,14 +83,14 @@ thedoc:
 	$(MAKE) -C $(ROOTDIR)/doc/user_guide 
 	$(MAKE) -C $(ROOTDIR)/doc/tutorial 
 
-# For now hardcoded to 3.0.0, and using HEAD
+# For now hardcoded to 3.1.0, and using HEAD
 # Better to get the version from the io.F90 file and use
-# the tag (e.g. v3.0.0) instead of HEAD
+# the tag (e.g. v3.1.0) instead of HEAD
 dist: 
-	cd $(ROOTDIR) && git archive HEAD --prefix=wannier90-3.0.0/ -o wannier90-3.0.0.tar.gz
+	cd $(ROOTDIR) && git archive HEAD --prefix=wannier90-3.1.0/ -o wannier90-3.1.0.tar.gz
 
 dist-legacy:
-	@(cd $(ROOTDIR) && $(TAR) -cz --transform='s,^\./,wannier90-3.0/,' -f wannier90-3.0.tar.gz \
+	@(cd $(ROOTDIR) && $(TAR) -cz --transform='s,^\./,wannier90-3.1/,' -f wannier90-3.1.tar.gz \
 		./src/*.?90 \
 		./src/postw90/*.?90 \
 		./autodoc/README.txt \

diff --git a/doc/compiled_docs/solution_booklet.pdf b/doc/compiled_docs/solution_booklet.pdf
diff --git a/doc/compiled_docs/tutorial.pdf b/doc/compiled_docs/tutorial.pdf
diff --git a/doc/compiled_docs/user_guide.pdf b/doc/compiled_docs/user_guide.pdf
diff --git a/doc/solution_booklet/newcommands.tex b/doc/solution_booklet/newcommands.tex
@@ -1,6 +1,6 @@
 %%% INFO %%%
 %
-\newcommand{\version}{v3.0.0}
+\newcommand{\version}{v3.1.0}
 \newcommand{\sbtitle}{\Wannier~\version: Solution booklet}
 \newcommand{\authorname}{Valerio Vitale}
 %\newcommand{\date}{\today} % Date of the first submission

diff --git a/doc/solution_booklet/solution_booklet.tex b/doc/solution_booklet/solution_booklet.tex
@@ -12,7 +12,7 @@
 
 \title{\sbtitle} 
 \author{\small\authorname}
-\date{27th February 2019}
+\date{20th February 2020}
 
 
 \begin{document}

diff --git a/doc/tutorial/tutorial.tex b/doc/tutorial/tutorial.tex
@@ -42,9 +42,9 @@
 
 \title{\wannier: Tutorial}
 
-\author{Version 3.0}
+\author{Version 3.1}
 
-\date{27th February 2019}
+\date{20th February 2020}
 %\date{\today}
 
 %%% THIS SHOULD BE THE LAST PACKAGE TO BE LOADED!

diff --git a/doc/user_guide/user_guide.tex b/doc/user_guide/user_guide.tex
@@ -82,9 +82,9 @@
 
 \title{{\tt wannier90}: User Guide}
 
-\author{Version 3.0}
+\author{Version 3.1}
 
-\date{27th February 2019}
+\date{20th February 2020}
 %\date{\color{red} \today}
 
 

diff --git a/src/io.F90 b/src/io.F90
@@ -32,7 +32,7 @@ module w90_io
   !! Max column width of input file
   logical, public, save           :: post_proc_flag
   !! Are we in post processing mode
-  character(len=10), public, parameter:: w90_version = '3.0.0 '
+  character(len=10), public, parameter:: w90_version = '3.1.0 '
   !! Label for this version of wannier90
 
   type timing_data

diff --git a/src/parameters.F90 b/src/parameters.F90
@@ -3460,7 +3460,7 @@ subroutine param_write_header
     write (stdout, *) '            |        The Wannier90 Developer Group and          |'
     write (stdout, *) '            |        individual contributors                    |'
     write (stdout, *) '            |                                                   |'
-    write (stdout, *) '            |      Release: ', adjustl(w90_version), '  27th February 2019      |'
+    write (stdout, *) '            |      Release: ', adjustl(w90_version), '  20th February 2020      |'
     write (stdout, *) '            |                                                   |'
     write (stdout, *) '            | This program is free software; you can            |'
     write (stdout, *) '            | redistribute it and/or modify it under the terms  |'