Bump version to 3.3.0 (#117)

awvwgk · web-flow · commit 1189af7264f3 · 2021-08-06T11:20:09.000+02:00
- update mstore subproject to 0.2.0
- update multicharge subproject to 0.1.2
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -19,7 +19,7 @@ cmake_minimum_required(VERSION 3.14)
 project(
   "dftd4"
   LANGUAGES "Fortran"
-  VERSION "3.2.0"
+  VERSION "3.3.0"
   DESCRIPTION "Generally Applicable Atomic-Charge Dependent London Dispersion Correction"
 )
 
diff --git a/README.md b/README.md
@@ -177,20 +177,21 @@ The communication with the Fortran API uses the `error_type` and `structure_type
 To use ``dftd4`` in Vasp the compatibility layer for the 2.5.x API has to be enable with ``-Dapi_v2=true`` (meson) or ``-DAPI_V2=ON`` (CMake).
 It is important to build ``dftd4`` with the same Fortran compiler you build Vasp with.
 
-After you completed the installation of ``dftd4`, make sure it is findable by ``pkg-config``, you can check by running:
+After you completed the installation of ``dftd4``, make sure it is findable by ``pkg-config``, you can check by running:
 
 ```
 pkg-config --modversion dftd4
 ```
 
-If you ``dftd4`` installation is not findable, you have to update your environment variables.
+If your ``dftd4`` installation is not findable, you have to update your environment variables.
 One option is to provide a module file for your ``dftd4`` installation.
-The example module file below can be placed in your ``MODULEPATH`` to provide access to an installation in ``~/opt/dftd4/3.2.0``.
-Retry the above comment after loading the ``dftd4`` and adjust the module file until ``pkg-config`` finds your installation.
+The example module file below can be placed in your ``MODULEPATH`` to provide access to an installation in ``~/opt/dftd4/3.3.0``.
+Retry the above comment after loading the ``dftd4`` module and adjust the module file until ``pkg-config`` finds your installation.
 
 ```lua
+-- dftd4/3.3.0.lua
 local name = "dftd4"
-local version = "3.2.0"
+local version = "3.3.0"
 local prefix = pathJoin(os.getenv("HOME"), "opt", name, version)
 local libdir = "lib"  -- or lib64
 
diff --git a/fpm.toml b/fpm.toml
@@ -1,5 +1,5 @@
 name = "dftd4"
-version = "3.2.0"
+version = "3.3.0"
 license = "LGPL-3.0-or-later"
 maintainer = ["@awvwgk"]
 author = ["Eike Caldeweyher", "Sebastian Ehlert", "Stefan Grimme"]
diff --git a/meson.build b/meson.build
@@ -17,7 +17,7 @@
 project(
   'dftd4',
   'fortran',
-  version: '3.2.0',
+  version: '3.3.0',
   license: 'LGPL-3.0-or-later',
   meson_version: '>=0.55',
   default_options: [
@@ -26,7 +26,7 @@ project(
   ],
 )
 install = not (meson.is_subproject() and get_option('default_library') == 'static')
-has_cc = add_languages('c', required: get_option('api') or get_option('python'))
+has_cc = add_languages('c', required: get_option('api') or get_option('python'), native: false)
 
 # General configuration information
 inc_dirs = []
diff --git a/python/README.rst b/python/README.rst
@@ -171,7 +171,7 @@ Now you are ready to use ``dftd4``, check if you can import it with
    >>> import dftd4
    >>> from dftd4.libdftd4 import get_api_version
    >>> get_api_version()
-   '3.2.0'
+   '3.3.0'
 
 
 Building the extension module
diff --git a/python/dftd4/__init__.py b/python/dftd4/__init__.py
@@ -18,4 +18,4 @@
 # make sure we have a CFFI available
 import cffi
 
-__version__ = "3.2.0"
+__version__ = "3.3.0"
diff --git a/python/dftd4/libdftd4.py b/python/dftd4/libdftd4.py
@@ -25,7 +25,7 @@
 -------
 >>> from dftd4.libdftd4 import get_api_version
 >>> get_api_version()
-'3.2.0'
+'3.3.0'
 """
 
 try:
diff --git a/python/setup.cfg b/python/setup.cfg
@@ -1,6 +1,6 @@
 [metadata]
 name = dftd4-python
-version = 3.2.0
+version = 3.3.0
 desciption = Python API of the DFT-D4 project
 long_desciption = file: README.rst
 long_description_content_type = text/x-rst
diff --git a/src/dftd4/version.f90 b/src/dftd4/version.f90
@@ -24,10 +24,10 @@ module dftd4_version
 
 
    !> String representation of the dftd4 version
-   character(len=*), parameter :: dftd4_version_string = "3.2.0"
+   character(len=*), parameter :: dftd4_version_string = "3.3.0"
 
    !> Numeric representation of the dftd4 version
-   integer, parameter :: dftd4_version_compact(3) = [3, 2, 0]
+   integer, parameter :: dftd4_version_compact(3) = [3, 3, 0]
 
 
 contains
diff --git a/subprojects/mstore.wrap b/subprojects/mstore.wrap
@@ -1,4 +1,4 @@
 [wrap-git]
 directory = mstore
 url = https://github.com/grimme-lab/mstore
-revision = v0.1.2
+revision = v0.2.0
diff --git a/subprojects/multicharge.wrap b/subprojects/multicharge.wrap
@@ -1,4 +1,4 @@
 [wrap-git]
 directory = multicharge
 url = https://github.com/grimme-lab/multicharge
-revision = v0.1.1
+revision = v0.1.2

Original file line number	Diff line number	Diff line change
`@@ -19,7 +19,7 @@ cmake_minimum_required(VERSION 3.14)`
`19`	`19`	`project(`
`20`	`20`	`"dftd4"`
`21`	`21`	`LANGUAGES "Fortran"`
`22`		`- VERSION "3.2.0"`
	`22`	`+ VERSION "3.3.0"`
`23`	`23`	`DESCRIPTION "Generally Applicable Atomic-Charge Dependent London Dispersion Correction"`
`24`	`24`	`)`
`25`	`25`