From 52d99700ec36ee4cfcd797cac983fe71e1ea6a42 Mon Sep 17 00:00:00 2001
From: Yury Lysogorskiy <yura.lysogorskii@gmail.com>
Date: Mon, 25 Oct 2021 17:34:08 +0200
Subject: [PATCH] Download and compile modified YAML-cpp 0.6.3 in namespace
 YAML_PACE

---
 cmake/Modules/Packages/ML-PACE.cmake | 69 ++++------------------------
 lib/pace/Install.py                  |  3 +-
 2 files changed, 11 insertions(+), 61 deletions(-)

diff --git a/cmake/Modules/Packages/ML-PACE.cmake b/cmake/Modules/Packages/ML-PACE.cmake
index 5ab56de62b..263df9f24d 100644
--- a/cmake/Modules/Packages/ML-PACE.cmake
+++ b/cmake/Modules/Packages/ML-PACE.cmake
@@ -1,61 +1,10 @@
-# try to find system libyaml-cpp v.0.6.3 library
-find_package(yaml-cpp 0.6.3 EXACT QUIET)
-
-
-if(yaml-cpp_FOUND)
-    message(STATUS "Library yaml-cpp(v0.6.3)  found")    
-    #message(STATUS "YAML_CPP_LIBRARY_DIRS=${YAML_CPP_LIBRARY_DIRS}")
-    
-#    get_cmake_property(_variableNames VARIABLES)
-#    list (SORT _variableNames)
-#    foreach (_variableName ${_variableNames})
-#        message(STATUS "${_variableName}=${${_variableName}}")
-#    endforeach()
-
-    find_path(YAML_CPP_INCLUDE_DIR
-            NAMES yaml.h
-            PATHS ${YAML_CPP_INCLUDE_DIRS})
-
-    if(NOT YAML_CPP_LIBRARIES)
-        find_library(YAML_CPP_LIBRARY
-                NAMES yaml-cpp
-                PATHS ${YAML_CPP_LIBRARY_DIRS})
-    else()
-        set(YAML_CPP_LIBRARY ${YAML_CPP_LIBRARIES})
-    endif()
-else()
-    message(STATUS "Library yaml-cpp(v0.6.3) not found, downloading")
-    
-    set(YAML_063_URL "https://github.com/jbeder/yaml-cpp/archive/refs/tags/yaml-cpp-0.6.3.tar.gz" CACHE STRING "URL for yaml-cpp (v.0.6.3) library sources")    
-    set(YAML_063_MD5 "b45bf1089a382e81f6b661062c10d0c2" CACHE STRING "MD5 checksum of yaml-cpp (v.0.6.3) library tarball")
-    mark_as_advanced(YAML_063_URL)
-    mark_as_advanced(YAML_063_MD5)
-
-    # download library sources to build folder
-    file(DOWNLOAD ${YAML_063_URL} ${CMAKE_BINARY_DIR}/yaml-cpp-0.6.3.tar.gz SHOW_PROGRESS EXPECTED_HASH MD5=${YAML_063_MD5})
-    
-    execute_process(
-        COMMAND ${CMAKE_COMMAND} -E remove_directory yaml-cpp-yaml-cpp-0.6.3*
-        COMMAND ${CMAKE_COMMAND} -E tar xzf yaml-cpp-0.6.3.tar.gz
-        WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
-    )
-    
-    set(YAML_DIR ${CMAKE_BINARY_DIR}/yaml-cpp-yaml-cpp-0.6.3)
-    
-    add_subdirectory(${YAML_DIR} build-yaml-cpp EXCLUDE_FROM_ALL)
-    set(YAML_CPP_INCLUDE_DIR ${YAML_DIR}/include)
-    set(YAML_CPP_LIBRARY yaml-cpp)    
-endif()
-
-
-
-set(PACELIB_URL "https://github.com/ICAMS/lammps-user-pace/archive/refs/tags/v.2021.9.28.upd1.tar.gz" CACHE STRING "URL for PACE evaluator library sources")
-set(PACELIB_MD5 "ec75bc491edd75e10560cdbf129d91a7" CACHE STRING "MD5 checksum of PACE evaluator library tarball")
+set(PACELIB_URL "https://github.com/ICAMS/lammps-user-pace/archive/refs/tags/v.2021.10.25.yaml_pace.tar.gz" CACHE STRING "URL for PACE evaluator library sources")
+set(PACELIB_MD5 "4c84c1cb1e2d8c690e3f797433ed2886" CACHE STRING "MD5 checksum of PACE evaluator library tarball")
 mark_as_advanced(PACELIB_URL)
 mark_as_advanced(PACELIB_MD5)
 
 # download library sources to build folder
-file(DOWNLOAD ${PACELIB_URL} ${CMAKE_BINARY_DIR}/libpace.tar.gz SHOW_PROGRESS EXPECTED_HASH MD5=${PACELIB_MD5})
+file(DOWNLOAD ${PACELIB_URL} ${CMAKE_BINARY_DIR}/libpace.tar.gz EXPECTED_HASH MD5=${PACELIB_MD5}) #SHOW_PROGRESS 
 
 # uncompress downloaded sources
 execute_process(
@@ -65,9 +14,8 @@ execute_process(
 )
 
 file(GLOB lib-pace ${CMAKE_BINARY_DIR}/lammps-user-pace-*)
-
-message(STATUS "YAML_CPP_INCLUDE_DIR=${YAML_CPP_INCLUDE_DIR}")
-message(STATUS "YAML_CPP_LIBRARY=${YAML_CPP_LIBRARY}")
+add_subdirectory(${lib-pace}/yaml-cpp build-yaml-cpp)
+set(YAML_CPP_INCLUDE_DIR ${lib-pace}/yaml-cpp/include)
 
 file(GLOB PACE_EVALUATOR_INCLUDE_DIR ${lib-pace}/ML-PACE)
 file(GLOB PACE_EVALUATOR_SOURCES ${lib-pace}/ML-PACE/*.cpp)
@@ -75,8 +23,9 @@ list(FILTER PACE_EVALUATOR_SOURCES EXCLUDE REGEX pair_pace.cpp)
 
 add_library(pace STATIC ${PACE_EVALUATOR_SOURCES})
 set_target_properties(pace PROPERTIES CXX_EXTENSIONS ON OUTPUT_NAME lammps_pace${LAMMPS_MACHINE})
-target_include_directories(pace PRIVATE ${YAML_CPP_INCLUDE_DIR})
-target_include_directories(pace PUBLIC ${PACE_EVALUATOR_INCLUDE_DIR})
+target_include_directories(pace PUBLIC ${PACE_EVALUATOR_INCLUDE_DIR} ${YAML_CPP_INCLUDE_DIR})
+
+
+target_link_libraries(pace PRIVATE yaml-cpp-pace)
 
 target_link_libraries(lammps PRIVATE pace)
-target_link_libraries(lammps PRIVATE ${YAML_CPP_LIBRARY})
diff --git a/lib/pace/Install.py b/lib/pace/Install.py
index 946c29676a..1c243c0446 100644
--- a/lib/pace/Install.py
+++ b/lib/pace/Install.py
@@ -15,13 +15,14 @@ from install_helpers import fullpath, geturl, checkmd5sum
 # settings
 
 thisdir = fullpath('.')
-version = 'v.2021.9.28'
+version = 'v.2021.10.25.yaml_pace'
 
 # known checksums for different PACE versions. used to validate the download.
 checksums = { \
         'v.2021.2.3.upd2' : '8fd1162724d349b930e474927197f20d',
         'v.2021.4.9'      : '4db54962fbd6adcf8c18d46e1798ceb5',
         'v.2021.9.28'     : 'f98363bb98adc7295ea63974738c2a1b',
+        'v.2021.10.25.yaml_pace' : '4c84c1cb1e2d8c690e3f797433ed2886'
         }