diff --git a/.github/workflows/wheel.yml b/.github/workflows/wheel.yml index f6411d73..0a28bcb1 100644 --- a/.github/workflows/wheel.yml +++ b/.github/workflows/wheel.yml @@ -144,14 +144,6 @@ jobs: mkdir dist/ cp -v dftd3*/dftd3*.whl dftd3*/dftd3*.tar.gz dist/ - - name: Publish to Test PyPI - if: ${{ github.event_name == 'release' }} - uses: pypa/gh-action-pypi-publish@release/v1 - with: - user: __token__ - password: ${{ secrets.TEST_PYPI_TOKEN }} - repository_url: https://test.pypi.org/legacy/ - - name: Upload assets uses: svenstaro/upload-release-action@v2 if: ${{ github.event_name == 'release' }} diff --git a/CMakeLists.txt b/CMakeLists.txt index 53c17f0f..05d58539 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -19,7 +19,7 @@ cmake_minimum_required(VERSION 3.14) project( "s-dftd3" LANGUAGES "Fortran" - VERSION "1.2.0" + VERSION "1.2.1" DESCRIPTION "Simple reimplementation of the DFT-D3 dispersion model" ) diff --git a/README.md b/README.md index a85734f5..36d5289e 100644 --- a/README.md +++ b/README.md @@ -2,6 +2,7 @@ [![Latest Version](https://img.shields.io/github/v/release/dftd3/simple-dftd3)](https://github.com/dftd3/simple-dftd3/releases/latest) [![LGPL-3.0-or-later](https://img.shields.io/github/license/dftd3/simple-dftd3)](COPYING) +[![JOSS](https://joss.theoj.org/papers/1a0f4b4571b8a362d596bd5759572d7f/status.svg)](https://joss.theoj.org/papers/1a0f4b4571b8a362d596bd5759572d7f) [![CI](https://github.com/dftd3/simple-dftd3/workflows/CI/badge.svg)](https://github.com/dftd3/simple-dftd3/actions) [![Documentation](https://readthedocs.org/projects/dftd3/badge/?version=latest)](https://dftd3.readthedocs.io/en/latest/) [![docs](https://github.com/dftd3/simple-dftd3/actions/workflows/docs.yml/badge.svg)](https://dftd3.github.io/simple-dftd3/) diff --git a/fpm.toml b/fpm.toml index 3c18a55d..9cc003ab 100644 --- a/fpm.toml +++ b/fpm.toml @@ -1,5 +1,5 @@ name = "s-dftd3" -version = "1.2.0" +version = "1.2.1" license = "LGPL-3.0-or-later" maintainer = ["@awvwgk"] author = ["Sebastian Ehlert"] diff --git a/meson.build b/meson.build index 190ae3bb..1c03f8e9 100644 --- a/meson.build +++ b/meson.build @@ -17,7 +17,7 @@ project( 's-dftd3', 'fortran', - version: '1.2.0', + version: '1.2.1', license: 'LGPL-3.0-or-later', meson_version: '>=0.55', default_options: [ diff --git a/python/README.rst b/python/README.rst index 98f4c967..002a9e51 100644 --- a/python/README.rst +++ b/python/README.rst @@ -222,7 +222,7 @@ Now you are ready to use ``dftd3``, check if you can import it with >>> import dftd3 >>> from dftd3.libdftd3 import get_api_version >>> get_api_version() - '1.2.0' + '1.2.1' Building the extension module diff --git a/python/dftd3/__init__.py b/python/dftd3/__init__.py index bb45b763..706099e3 100644 --- a/python/dftd3/__init__.py +++ b/python/dftd3/__init__.py @@ -18,4 +18,4 @@ # make sure we have a CFFI available import cffi -__version__ = "1.2.0" +__version__ = "1.2.1" diff --git a/python/meson.build b/python/meson.build index a7a82cbc..272e9bdd 100644 --- a/python/meson.build +++ b/python/meson.build @@ -19,7 +19,7 @@ project( 'dftd3', 'c', - version: '1.1.1', + version: '1.2.1', license: 'LGPL-3.0-or-later', meson_version: '>=0.55', default_options: [ diff --git a/python/mesonpep517.toml b/python/mesonpep517.toml index 2caaf4a0..a8cf6618 100644 --- a/python/mesonpep517.toml +++ b/python/mesonpep517.toml @@ -4,7 +4,7 @@ build-backend = "mesonpy" [project] name = "dftd3" -version = "1.2.0" +version = "1.2.1" description = "Python API of the DFT-D3 project" readme = "README.rst" license.text = "LGPL-3.0-or-later" diff --git a/python/setup.cfg b/python/setup.cfg index ce5ffe7e..7c24dc7b 100644 --- a/python/setup.cfg +++ b/python/setup.cfg @@ -1,6 +1,6 @@ [metadata] name = dftd3 -version = 1.2.0 +version = 1.2.1 desciption = Python API of the DFT-D3 project long_desciption = file: README.rst long_description_content_type = text/x-rst diff --git a/src/dftd3/version.f90 b/src/dftd3/version.f90 index 255a4340..5860815e 100644 --- a/src/dftd3/version.f90 +++ b/src/dftd3/version.f90 @@ -24,10 +24,10 @@ module dftd3_version !> String representation of the s-dftd3 version - character(len=*), parameter :: dftd3_version_string = "1.2.0" + character(len=*), parameter :: dftd3_version_string = "1.2.1" !> Numeric representation of the s-dftd3 version - integer, parameter :: dftd3_version_compact(3) = [1, 2, 0] + integer, parameter :: dftd3_version_compact(3) = [1, 2, 1] contains