From 0de4a2560f3727207a121c23bcb0e63a997acae2 Mon Sep 17 00:00:00 2001 From: "German P. Barletta" Date: Sun, 22 Sep 2024 13:46:59 -0400 Subject: [PATCH 1/2] Fix install when xtb is not in /usr/local --- CMakeLists.txt | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index a7ce4eb..52aecda 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -10,12 +10,13 @@ INCLUDE_DIRECTORIES("${OPENMM_DIR}/include") LINK_DIRECTORIES("${OPENMM_DIR}/lib" "${OPENMM_DIR}/lib/plugins") # We also need to know where XTB is installed. -FIND_LIBRARY(XTB_LIBRARY_PATH xtb) FIND_FILE(XTB_HEADER_PATH xtb.h) -CMAKE_PATH(GET XTB_LIBRARY_PATH PARENT_PATH XTB_LIBRARY_DIR) -CMAKE_PATH(GET XTB_HEADER_PATH PARENT_PATH XTB_INCLUDE_DIR) -INCLUDE_DIRECTORIES("${XTB_INCLUDE_DIR}") -LINK_DIRECTORIES("${XTB_LIBRARY_DIR}") +CMAKE_PATH(GET XTB_HEADER_PATH PARENT_PATH XTB_INCLUDE_DIR_DEFAULT) +SET(XTB_INCLUDE_DIR CACHE PATH XTB_INCLUDE_DIR_DEFAULT) + +FIND_LIBRARY(XTB_LIBRARY_PATH xtb) +CMAKE_PATH(GET XTB_LIBRARY_PATH PARENT_PATH XTB_LIBRARY_DIR_DEFAULT) +SET(XTB_LIBRARY_DIR CACHE PATH XTB_LIBRARY_DIR_DEFAULT) # Specify the C++ version we are building for. SET (CMAKE_CXX_STANDARD 11) From 30ddf25388beb9c9671b256723759b8b138931a7 Mon Sep 17 00:00:00 2001 From: "German P. Barletta" Date: Sun, 22 Sep 2024 13:47:30 -0400 Subject: [PATCH 2/2] Fix min cmake version --- CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 52aecda..b976fbf 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -2,7 +2,7 @@ # OpenMM XTB Plugin #---------------------------------------------------- -CMAKE_MINIMUM_REQUIRED(VERSION 2.8) +CMAKE_MINIMUM_REQUIRED(VERSION 3.7.1) # We need to know where OpenMM is installed so we can access the headers and libraries. SET(OPENMM_DIR "/usr/local/openmm" CACHE PATH "Where OpenMM is installed")