diff --git a/CHANGELOG.md b/CHANGELOG.md index dc0e9ca2..b8be0458 100644 --- a/CHANGELOG.md +++ b/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 diff --git a/cmake/custom/xcfun.cmake b/cmake/custom/xcfun.cmake index 678feae1..07595651 100644 --- a/cmake/custom/xcfun.cmake +++ b/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) diff --git a/docs/conf.py b/docs/conf.py index f8082caa..e7e687ac 100644 --- a/docs/conf.py +++ b/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 --------------------------------------------------- diff --git a/src/version_info.hpp b/src/version_info.hpp index 9930440c..f7c6f195 100644 --- a/src/version_info.hpp +++ b/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);