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Hello community,
here is the log from the commit of package libmbd for openSUSE:Factory checked
in at 2024-08-25 12:10:26
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Comparing /work/SRC/openSUSE:Factory/libmbd (Old)
and /work/SRC/openSUSE:Factory/.libmbd.new.2698 (New)
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "libmbd"
Sun Aug 25 12:10:26 2024 rev:3 rq:1195807 version:0.12.8
Changes:
--------
--- /work/SRC/openSUSE:Factory/libmbd/libmbd.changes 2023-11-27
22:45:03.921575063 +0100
+++ /work/SRC/openSUSE:Factory/.libmbd.new.2698/libmbd.changes 2024-08-25
12:10:45.508932741 +0200
@@ -1,0 +2,6 @@
+Tue Aug 20 13:05:03 UTC 2024 - Frantisek Simorda <frantisek.simo...@suse.com>
+
+- Update to 0.12.8:
+ * Compatibility with MPICH 4.x
+
+-------------------------------------------------------------------
Old:
----
libmbd-0.12.7.tar.gz
New:
----
libmbd-0.12.8.tar.gz
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ libmbd.spec ++++++
--- /var/tmp/diff_new_pack.DQtxOw/_old 2024-08-25 12:10:46.356967933 +0200
+++ /var/tmp/diff_new_pack.DQtxOw/_new 2024-08-25 12:10:46.356967933 +0200
@@ -1,7 +1,7 @@
#
-# spec file
+# spec file for package libmbd
#
-# Copyright (c) 2023 SUSE LLC
+# Copyright (c) 2024 SUSE LLC
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
@@ -49,7 +49,7 @@
# /SECTION MPI DEFINITIONS
Name: %{srcname}%{?my_suffix}
-Version: 0.12.7
+Version: 0.12.8
Release: 0
Summary: Many-body dispersion library
License: MPL-2.0
++++++ libmbd-0.12.7.tar.gz -> libmbd-0.12.8.tar.gz ++++++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn'
'--exclude=.svnignore' old/libmbd-0.12.7/README.md new/libmbd-0.12.8/README.md
--- old/libmbd-0.12.7/README.md 2023-06-29 23:26:50.000000000 +0200
+++ new/libmbd-0.12.8/README.md 2024-02-09 16:53:33.000000000 +0100
@@ -10,7 +10,9 @@
[](https://github.com/libmbd/libmbd/blob/master/LICENSE)
[](https://github.com/ambv/black)
[](https://gitter.im/libmbd/community)
-[](http://doi.org/g67f)
+[](http://doi.org/k4bm)
+
+> libMBD: A general-purpose package for scalable quantum many-body dispersion
calculations. [J. Hermann](https://github.com/jhrmnn), [M.
Stöhr](https://github.com/martin-stoehr), S. Góger, [S.
Chaudhuri](https://github.com/shaychaudhuri), [B.
Aradi](https://github.com/aradi), [R. J.
Maurer](https://github.com/reinimaurer1) & A. Tkatchenko. [*J. Chem. Phys.*
**159**, 174802](http://doi.org/k4bm) (2023)
libMBD implements the [many-body
dispersion](http://dx.doi.org/10.1063/1.4865104) (MBD) method in several
programming languages and frameworks:
@@ -115,10 +117,11 @@
```fortran
use mbd, only: mbd_input_t, mbd_calc_t
+use iso_fortran_env, only: real64
type(mbd_input_t) :: inp
type(mbd_calc_t) :: calc
-real(8) :: energy, gradients(3, 2)
+real(real64) :: energy, gradients(3, 2)
integer :: code
character(200) :: origin, msg
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn'
'--exclude=.svnignore' old/libmbd-0.12.7/cmake/libMBDVersionTag.cmake
new/libmbd-0.12.8/cmake/libMBDVersionTag.cmake
--- old/libmbd-0.12.7/cmake/libMBDVersionTag.cmake 2023-06-30
13:51:06.000000000 +0200
+++ new/libmbd-0.12.8/cmake/libMBDVersionTag.cmake 2024-02-09
17:10:00.000000000 +0100
@@ -1 +1 @@
-set(VERSION_TAG 0.12.7)
+set(VERSION_TAG 0.12.8)
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn'
'--exclude=.svnignore' old/libmbd-0.12.7/src/mbd_geom.F90
new/libmbd-0.12.8/src/mbd_geom.F90
--- old/libmbd-0.12.7/src/mbd_geom.F90 2023-06-29 22:55:13.000000000 +0200
+++ new/libmbd-0.12.8/src/mbd_geom.F90 2024-02-09 16:53:33.000000000 +0100
@@ -244,7 +244,7 @@
#ifdef WITH_MPI
subroutine geom_sync_exc(this)
- class(geom_t), intent(in) :: this
+ class(geom_t), intent(inout) :: this
integer, allocatable :: codes(:)
integer :: err, rank
