KILL ME

diff --git a/CMakeLists.txt b/CMakeLists.txt
index da8c99b9d9c54a9745d67dfe38ccb4f735cb7a65..acc8963058206afc9b46c0268cedb0a335618d33 100644 (file)
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -1,8 +1,8 @@
-cmake_minimum_required(VERSION 3.9.6)
+cmake_minimum_required(VERSION 3.16.3)
 
 project(gromacs-dssp CXX)
 
-set(CMAKE_CXX_STANDARD 14)  # new
+set(CMAKE_CXX_STANDARD 17)  # new
 set(CMAKE_CXX_STANDARD_REQUIRED ON) # new
 set(CMAKE_CXX_EXTENSIONS OFF) # new
 
@@ -35,7 +35,7 @@ endif()
 find_package(GROMACS 2020 REQUIRED)
 gromacs_check_double(GMX_DOUBLE)
 gromacs_check_compiler(CXX)
-include_directories(${GROMACS_INCLUDE_DIRS}) # new
+#include_directories(${GROMACS_INCLUDE_DIRS}) # new
 add_definitions(${GROMACS_DEFINITIONS})
 
 # Use static linking on MSVC

diff --git a/cmake/FindGROMACS.cmake b/cmake/FindGROMACS.cmake
index dcded37d3c9c14f93a5cb5042dfb1a7a98bb6d57..67a8a65299bd8e109b46d6c0e73af4603755b6d6 100644 (file)
--- a/cmake/FindGROMACS.cmake
+++ b/cmake/FindGROMACS.cmake
@@ -40,7 +40,6 @@
 # different GROMACS installations on the same machine.
 
 # Propagate all flags passed to parent find_package() to the config call below.
-
 set(_gmx_find_args "")
 if (GROMACS_FIND_VERSION)
     if (GROMACS_FIND_VERSION VERSION_LESS "5.1")

diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
index 96cef96d9f92188c822051615d1291fcb5a4b0a6..471b288a1214b4232698d1ddb00bbef5eac00078 100644 (file)
--- a/src/CMakeLists.txt
+++ b/src/CMakeLists.txt
@@ -1,8 +1,8 @@
 add_executable(dssp  dssp.cpp dssptools.cpp)
 include_directories(
-        #${GROMACS_INCLUDE_DIRS}
-        ${GROMACS_INCLUDE_DIRS}/../
-        ${GROMACS_INCLUDE_DIRS}/../src
+        ${GROMACS_INCLUDE_DIRS}
+        #${GROMACS_INCLUDE_DIRS}/../ #not working
+        ${GROMACS_INCLUDE_DIRS}/../src #working
         ${CMAKE_SOURCE_DIR}
         )
 set_target_properties(dssp PROPERTIES

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index 3f51097361c64738550a2f5cf91469f40dd41f17..ab66dfde12797f056649c691f855774d45bc94fe 100644 (file)
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -46,6 +46,7 @@
 
 #include <algorithm>
 #include "gromacs/math/units.h"
+
 #include "gromacs/pbcutil/pbc.h"
 #include <gromacs/trajectoryanalysis.h>
 #include "gromacs/trajectoryanalysis/topologyinformation.h"