Prepare release 2.1.1 (#147)

* Update changelog

* Bump version in version_info.hpp

* Bump version in xcfun.cmake

* Bump version in conf.py

Author: robertodr

CHANGELOG.md

@@ -1,8 +1,15 @@
 # Change Log
 
-## [Unreleased]
+## [Version 2.1.1] - 2020-11-12
 
-- Move Linux and macOS CI to GitHub actions.
+### Changed
+
+- Linux and macOS continuous integration testing is run on GitHub actions. See [PR #145](https://github.com/dftlibs/xcfun/pull/145)
+
+### Fixed
+
+- We polished the installation of header files, CMake target export files, and Python module. These are especially relevant for Conda packaging XCFun. See [PR #143](https://github.com/dftlibs/xcfun/pull/143)
+- A numerical issue with SCAN functionals and small density gradients was fixed by James Furness (@JFurness1). See [issue #144](https://github.com/dftlibs/xcfun/issues/144) reported by Xing Zhang (@fishjojo) and subsequent [PR #146](https://github.com/dftlibs/xcfun/pull/146) for the fix.
 
 ## [Version 2.1.0] - 2020-09-18
 
@@ -130,6 +137,8 @@ modernize the library. See the [migration guide](https://xcfun.readthedocs.io/en
 - **BREAKING** The Fortran interface is no longer build with the code, but
   shipped as a separate file to be compiled within your own Fortran code.
 
+[Unreleased]: https://github.com/dftlibs/xcfun/compare/v2.1.1...HEAD
+[Version 2.1.1]: https://github.com/dftlibs/xcfun/compare/v2.1.0...v2.1.1
 [Version 2.1.0]: https://github.com/dftlibs/xcfun/compare/v2.0.2...v2.1.0
 [Version 2.0.2]: https://github.com/dftlibs/xcfun/compare/v2.0.1...v2.0.2
 [Version 2.0.1]: https://github.com/dftlibs/xcfun/compare/v2.0.0...v2.0.1

cmake/custom/xcfun.cmake

@@ -23,10 +23,10 @@ if(DEFINED XCFUN_MAX_ORDER AND XCFUN_MAX_ORDER LESS 3)
   set(XCFUN_MAX_ORDER 6 CACHE STRING "Maximum order of derivatives of the exchange-correlation kernel" FORCE)
 endif()
 
-set(PROJECT_VERSION 2.1.0)
+set(PROJECT_VERSION 2.1.1)
 set(PROJECT_VERSION_MAJOR 2)
 set(PROJECT_VERSION_MINOR 1)
-set(PROJECT_VERSION_PATCH 0)
+set(PROJECT_VERSION_PATCH 1)
 
 add_subdirectory(${PROJECT_SOURCE_DIR}/api)
 add_subdirectory(${PROJECT_SOURCE_DIR}/src)

docs/conf.py

@@ -25,7 +25,7 @@
 author = 'Ulf Ekström and contributors'
 
 # The full version, including alpha/beta/rc tags
-release = '2.1.0'
+release = '2.1.1'
 
 # -- General configuration ---------------------------------------------------
 

src/version_info.hpp

@@ -17,7 +17,7 @@
 namespace xcfun {
 constexpr auto PROJECT_VERSION_MAJOR = 2;
 constexpr auto PROJECT_VERSION_MINOR = 1;
-constexpr auto PROJECT_VERSION_PATCH = 0;
+constexpr auto PROJECT_VERSION_PATCH = 1;
 constexpr auto XCFun_VERSION =
     ((PROJECT_VERSION_MAJOR << 16) | PROJECT_VERSION_MINOR | PROJECT_VERSION_PATCH);