diff --git a/CHANGELOG.md b/CHANGELOG.md
index 67473a4..1ee34cb 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -1,5 +1,9 @@
For more detailed information about the changes see the history of the
[repository](https://github.com/votca/xtp/commits/master).
+
+## Version 1.6.1 (released 21.06.20)
+* fix warnings on Ubuntu 20.04 (#438, #460)
+* remove obsolete boost define (#440)
## Version 1.6 _SuperPelagia_ (released 17.04.20)
* fix 32-bit build (#381, #380)
diff --git a/CMakeLists.txt b/CMakeLists.txt
index ba4e5be..fbb3070 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -2,7 +2,7 @@
project(votca-xtp)
-set(PROJECT_VERSION "1.6")
+set(PROJECT_VERSION "1.6.1")
set(PROJECT_CONTACT "bugs@votca.org")
string(REGEX REPLACE "^[1-9]+\\.([1-9]+).*$" "\\1" SOVERSION "${PROJECT_VERSION}")
if (NOT ${SOVERSION} MATCHES "[1-9]+")
@@ -18,8 +18,6 @@
endif(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CXX_FLAGS)
if(CMAKE_BUILD_TYPE STREQUAL Debug)
add_definitions(-DDEBUG)
-elseif(CMAKE_BUILD_TYPE STREQUAL Release)
- add_definitions(-DBOOST_UBLAS_NDEBUG)
endif()
enable_language(CXX)
@@ -47,10 +45,18 @@
find_package(LIBXC REQUIRED)
find_package(HDF5 1.8 REQUIRED COMPONENTS CXX)
-if (${HDF5_VERSION} GREATER 1.8)
+if(HDF5_VERSION VERSION_GREATER 1.8)
message(WARNING "HDF5 will be used such that it is compatible with version 1.8.")
endif()
+# https://github.com/votca/xtp/issues/436, hdf5-1.10.4 generates a implicitly-declared operator warning
+if(HDF5_VERSION VERSION_GREATER_EQUAL 1.10.4 AND HDF5_VERSION VERSION_LESS_EQUAL 1.10.6)
+ include(CheckCXXCompilerFlag)
+ check_cxx_compiler_flag("-Wno-deprecated-copy" COMPILER_SUPPORTS_WNO_DEPRECATED_COPY)
+ if(COMPILER_SUPPORTS_WNO_DEPRECATED_COPY)
+ set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wno-deprecated-copy")
+ endif()
+endif()
option(BUILD_SHARED_LIBS "Build shared libs" ON)
include(GNUInstallDirs)
diff --git a/tutorials/CMakeLists.txt b/tutorials/CMakeLists.txt
index a5ee50d..89bb875 100644
--- a/tutorials/CMakeLists.txt
+++ b/tutorials/CMakeLists.txt
@@ -2,7 +2,7 @@
project(xtp-tutorials)
-set(PROJECT_VERSION "1.6")
+set(PROJECT_VERSION "1.6.1")
set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/CMakeModules)
include(GNUInstallDirs)
diff --git a/tutorials/GROMACS/Methane/QC_FILES/g09/anion_geo/polar/molpol.xml~ b/tutorials/GROMACS/Methane/QC_FILES/g09/anion_geo/polar/molpol.xml~
new file mode 100644
index 0000000..d29b493
--- /dev/null
+++ b/tutorials/GROMACS/Methane/QC_FILES/g09/anion_geo/polar/molpol.xml~
@@ -0,0 +1,20 @@
+
+
+
+ CH4_i.mps
+
+ output.xml
+
+
+ 0.39000
+ 0.35000
+ 1024
+ 0.00001
+
+
+ true
+ 2.3191 0.0 0.0 2.3199 0.0 2.3204
+ 0.00001
+
+
+
diff --git a/tutorials/GROMACS/Methane/QC_FILES/g09/cation_geo/polar/molpol.xml~ b/tutorials/GROMACS/Methane/QC_FILES/g09/cation_geo/polar/molpol.xml~
new file mode 100644
index 0000000..6f9757e
--- /dev/null
+++ b/tutorials/GROMACS/Methane/QC_FILES/g09/cation_geo/polar/molpol.xml~
@@ -0,0 +1,20 @@
+
+
+
+ CH4_h.mps
+
+ output.xml
+
+
+ 0.39000
+ 0.35000
+ 1024
+ 0.00001
+
+
+ true
+ 1.4451 0.0 0.0 2.0267 0.0 2.0267
+ 0.00001
+
+
+
diff --git a/tutorials/GROMACS/Methane/QC_FILES/g09/neutral_geo/polar/molpol.xml~ b/tutorials/GROMACS/Methane/QC_FILES/g09/neutral_geo/polar/molpol.xml~
new file mode 100644
index 0000000..b1444a7
--- /dev/null
+++ b/tutorials/GROMACS/Methane/QC_FILES/g09/neutral_geo/polar/molpol.xml~
@@ -0,0 +1,20 @@
+
+
+
+ CH4_n.mps
+
+ output.xml
+
+
+ 0.39000
+ 0.35000
+ 1024
+ 0.00001
+
+
+ true
+ 2.3191 0.0 0.0 2.3199 0.0 2.3204
+ 0.00001
+
+
+