makefile updates

CMakeLists.txt

@@ -25,25 +25,13 @@
 cmake_minimum_required(VERSION 3.15)
 
 # set the project name
-project(mkdssp VERSION 4.4.4 LANGUAGES CXX)
+project(mkdssp VERSION 4.4.6 LANGUAGES CXX)
 
 list(APPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")
 
-include(GNUInstallDirs)
-include(CheckFunctionExists)
-include(CheckIncludeFiles)
-include(CheckLibraryExists)
-include(CMakePackageConfigHelpers)
-include(FetchContent)
-include(FindFilesystem)
-include(GenerateExportHeader)
 include(CTest)
-
-set(CXX_EXTENSIONS OFF)
-set(CMAKE_CXX_STANDARD 17)
-set(CMAKE_CXX_STANDARD_REQUIRED ON)
-
-find_package(Filesystem REQUIRED)
+include(FetchContent)
+include(VersionString)
 
 if("${CMAKE_CXX_COMPILER_ID}" STREQUAL "GNU")
 	set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers")
@@ -94,8 +82,7 @@ if(MSVC)
 endif()
 
 # Create a revision file, containing the current git version info
-include(VersionString)
-write_version_header("${PROJECT_SOURCE_DIR}/src")
+write_version_header("${CMAKE_CURRENT_SOURCE_DIR}/src")
 
 # Optionally use mrc to create resources
 find_package(Mrc QUIET)
@@ -119,28 +106,25 @@ if(NOT PDB_REDO_META)
 		libmcfp
 		${EXLC}
 		GIT_REPOSITORY https://github.com/mhekkel/libmcfp
-		GIT_TAG v1.2.4)
+		GIT_TAG v1.3.1)
 
 	FetchContent_MakeAvailable(libmcfp)
 
-	if (NOT cifpp_FOUND)
-		set(CIFPP_DOWNLOAD_CCD OFF)
-
-		FetchContent_Declare(
-			cifpp
-			${EXLC}
-			GIT_REPOSITORY https://github.com/pdb-redo/libcifpp.git
-			GIT_TAG 92bd52d
-		)
+	set(CIFPP_DOWNLOAD_CCD OFF)
 
-		FetchContent_MakeAvailable(cifpp)
-	endif()
+	FetchContent_Declare(
+		cifpp
+		${EXLC}
+		GIT_REPOSITORY https://github.com/pdb-redo/libcifpp.git
+		GIT_TAG v7.0.3
+	)
 
+	FetchContent_MakeAvailable(cifpp)
 endif()
 
 add_subdirectory(libdssp)
 
-add_executable(mkdssp ${PROJECT_SOURCE_DIR}/src/mkdssp.cpp)
+add_executable(mkdssp ${CMAKE_CURRENT_SOURCE_DIR}/src/mkdssp.cpp)
 
 target_link_libraries(mkdssp PRIVATE libmcfp::libmcfp dssp::dssp)
 
@@ -148,12 +132,12 @@ if(USE_RSRC)
 	mrc_target_resources(mkdssp
 		${CIFPP_SHARE_DIR}/mmcif_pdbx.dic
 		${CIFPP_SHARE_DIR}/mmcif_ddl.dic
-		${PROJECT_SOURCE_DIR}/libdssp/mmcif_pdbx/dssp-extension.dic)
+		${CMAKE_CURRENT_SOURCE_DIR}/libdssp/mmcif_pdbx/dssp-extension.dic)
 endif()
 
 # Install rules
 install(TARGETS ${PROJECT_NAME}
-	RUNTIME DESTINATION ${BIN_INSTALL_DIR}
+	RUNTIME DESTINATION bin
 )
 
 if(BUILD_DOCUMENTATION)
@@ -162,7 +146,7 @@ endif()
 
 if(UNIX)
 	install(FILES doc/mkdssp.1
-		DESTINATION ${CMAKE_INSTALL_DATADIR}/man/man1)
+		DESTINATION share/man/man1)
 endif()
 
 if(EXISTS "${CCP4}/html")

README.md

@@ -20,18 +20,14 @@ DSSP does **not** predict secondary structure.
 Requirements
 ------------
 
-The tools are based on [libcif++](https://github.com/PDB-REDO/libcifpp)
-and the code is written in modern C++ so you need a compiler capable
-of handling C++17 code.
-
-You also need [libmcfp](https://github.com/mhekkel/libmcfp.git)
+A good, modern compiler is needed to build the mkdssp program since it uses
+many new C++20 features.
 
 Building
 --------
 
-Make sure you install [libcif++](https://github.com/PDB-REDO/libcifpp) and [libmcfp](https://github.com/mhekkel/libmcfp.git) first before building.
-
-After that, building should be as easy as typing:
+The new makefile for dssp will take care of downloading and building all requirements
+automatically. So in theory, building is as simple as:
 
 ```console
 git clone https://github.com/PDB-REDO/dssp.git
@@ -46,32 +42,3 @@ Usage
 -----
 
 See [manual page](doc/mkdssp.md) for more info. Or even better, see the [DSSP website](https://pdb-redo.eu/dssp).
-
-Docker
-------
-
-Build the image yourself:
-
-```console
-git clone https://github.com/PDB-REDO/dssp.git
-cd dssp
-sudo docker build -t dssp .
-```
-
-Or pull from Docker Hub:
-
-```console
-sudo docker pull stephenturner/dssp && docker tag stephenturner/dssp dssp
-```
-
-Usage:
-
-```console
-sudo docker run --rm dssp
-```
-
-To run dssp on the file `/srv/data/pdb/pdb/cb/pdb1cbs.ent.gz`:
-
-```console
-sudo docker run --rm -it -v /srv/data/pdb/pdb:/tmp/pdb dssp /tmp/pdb/cb/pdb1cbs.ent.gz
-```

cmake/FindFilesystem.cmake

-# Simplistic reimplementation of https://github.com/vector-of-bool/CMakeCM/blob/master/modules/FindFilesystem.cmake
-
-if(TARGET std::filesystem)
-	return()
-endif()
-
-cmake_minimum_required(VERSION 3.10)
-
-include(CMakePushCheckState)
-include(CheckIncludeFileCXX)
-include(CheckCXXSourceCompiles)
-
-cmake_push_check_state()
-
-set(CMAKE_CXX_STANDARD 17)
-
-check_include_file_cxx("filesystem" _CXX_FILESYSTEM_HAVE_HEADER)
-mark_as_advanced(_CXX_FILESYSTEM_HAVE_HEADER)
-
-set(code [[
-#include <cstdlib>
-#include <filesystem>
-
-int main() {
-	auto cwd = std::filesystem::current_path();
-	return EXIT_SUCCESS;
-}
-]])
-
-if(CMAKE_CXX_COMPILER_ID STREQUAL "GNU" AND CMAKE_CXX_COMPILER_VERSION VERSION_LESS_EQUAL 8.4.0)
-	# >> https://stackoverflow.com/questions/63902528/program-crashes-when-filesystempath-is-destroyed
-	set(CXX_FILESYSTEM_NO_LINK_NEEDED 0)
-else()
-	# Check a simple filesystem program without any linker flags
-	check_cxx_source_compiles("${code}" CXX_FILESYSTEM_NO_LINK_NEEDED)
-endif()
-
-if(CXX_FILESYSTEM_NO_LINK_NEEDED)
-	set(_found 1)
-else()
-	set(prev_libraries ${CMAKE_REQUIRED_LIBRARIES})
-	# Add the libstdc++ flag
-	set(CMAKE_REQUIRED_LIBRARIES ${prev_libraries} -lstdc++fs)
-	check_cxx_source_compiles("${code}" CXX_FILESYSTEM_STDCPPFS_NEEDED)
-	set(_found ${CXX_FILESYSTEM_STDCPPFS_NEEDED})
-	if(NOT CXX_FILESYSTEM_STDCPPFS_NEEDED)
-		# Try the libc++ flag
-		set(CMAKE_REQUIRED_LIBRARIES ${prev_libraries} -lc++fs)
-		check_cxx_source_compiles("${code}" CXX_FILESYSTEM_CPPFS_NEEDED)
-		set(_found ${CXX_FILESYSTEM_CPPFS_NEEDED})
-	endif()
-endif()
-
-if(_found)
-	add_library(std::filesystem INTERFACE IMPORTED)
-	set_property(TARGET std::filesystem APPEND PROPERTY INTERFACE_COMPILE_FEATURES cxx_std_17)
-
-	if(CXX_FILESYSTEM_NO_LINK_NEEDED)
-		# Nothing to add...
-	elseif(CXX_FILESYSTEM_STDCPPFS_NEEDED)
-		set_target_properties(std::filesystem PROPERTIES IMPORTED_LIBNAME stdc++fs)
-	elseif(CXX_FILESYSTEM_CPPFS_NEEDED)
-		set_target_properties(std::filesystem PROPERTIES IMPORTED_LIBNAME c++fs)
-	endif()
-endif()
-
-cmake_pop_check_state()
-
-set(Filesystem_FOUND ${_found} CACHE BOOL "TRUE if we can run a program using std::filesystem" FORCE)
-
-if(Filesystem_FIND_REQUIRED AND NOT Filesystem_FOUND)
-    message(FATAL_ERROR "Cannot run simple program using std::filesystem")
-endif()
-

libdssp/CMakeLists.txt

+include(CMakePackageConfigHelpers)
+
 # We do not want to write an export file for all our symbols...
 set(CMAKE_WINDOWS_EXPORT_ALL_SYMBOLS ON)
 
@@ -24,7 +26,7 @@ target_compile_features(dssp PUBLIC cxx_std_17)
 target_include_directories(dssp
 	PUBLIC
 	"$<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include;${CMAKE_CURRENT_SOURCE_DIR}/../src>"
-	"$<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}>"
+	"$<INSTALL_INTERFACE:include>"
 )
 
 # Install rules
@@ -60,34 +62,22 @@ install(FILES
 	COMPONENT Devel
 )
 
-# set(dssp_MAJOR_VERSION ${CMAKE_PROJECT_VERSION_MAJOR})
-# set_target_properties(dssp PROPERTIES
-# 	VERSION ${PROJECT_VERSION}
-# 	SOVERSION ${dssp_MAJOR_VERSION}
-# 	INTERFACE_dssp_MAJOR_VERSION ${dssp_MAJOR_VERSION})
-
-# set_property(TARGET dssp APPEND PROPERTY
-# 	COMPATIBLE_INTERFACE_STRING dssp_MAJOR_VERSION
-# )
-
-# write_basic_package_version_file(
-# 	"${CMAKE_CURRENT_BINARY_DIR}/dssp/dsspConfigVersion.cmake"
-# 	VERSION ${PROJECT_VERSION}
-# 	COMPATIBILITY AnyNewerVersion
-# )
-
-# # pkgconfig support
-# set(prefix ${CMAKE_INSTALL_PREFIX})
-# set(exec_prefix ${CMAKE_INSTALL_PREFIX})
-# set(libdir ${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_LIBDIR})
-# set(includedir ${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_INCLUDEDIR})
-
-# configure_file(${CMAKE_CURRENT_SOURCE_DIR}/cmake/libdssp.pc.in
-# 	${CMAKE_CURRENT_BINARY_DIR}/libdssp.pc.in @ONLY)
-# file(GENERATE OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/libdssp.pc
-# 	INPUT ${CMAKE_CURRENT_BINARY_DIR}/libdssp.pc.in)
-# install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libdssp.pc DESTINATION ${CMAKE_INSTALL_LIBDIR}/pkgconfig)
-
-set(CIFPP_DATA_DIR "${CMAKE_INSTALL_FULL_DATADIR}/libcifpp")
+set(dssp_MAJOR_VERSION ${CMAKE_PROJECT_VERSION_MAJOR})
+set_target_properties(dssp PROPERTIES
+	VERSION ${PROJECT_VERSION}
+	SOVERSION ${dssp_MAJOR_VERSION}
+	INTERFACE_dssp_MAJOR_VERSION ${dssp_MAJOR_VERSION})
+
+set_property(TARGET dssp APPEND PROPERTY
+	COMPATIBLE_INTERFACE_STRING dssp_MAJOR_VERSION
+)
+
+write_basic_package_version_file(
+	"${CMAKE_CURRENT_BINARY_DIR}/dssp/dsspConfigVersion.cmake"
+	VERSION ${PROJECT_VERSION}
+	COMPATIBILITY AnyNewerVersion
+)
+
+# set(CIFPP_DATA_DIR "${CMAKE_INSTALL_FULL_DATADIR}/libcifpp")
 install(FILES "${CMAKE_CURRENT_SOURCE_DIR}/mmcif_pdbx/dssp-extension.dic"
-        DESTINATION ${CIFPP_DATA_DIR})
+        DESTINATION share/libcifpp)