Changed to SHA256 #138

cmake/CMakeCache.txt

@@ -0,0 +1,83 @@
+# This is the CMakeCache file.
+# For build in directory: c:/Users/vaish/OneDrive/Apps/openchemistry/cmake
+# It was generated by CMake: C:/Program Files/CMake/bin/cmake.exe
+# You can edit this file to change values found and used by cmake.
+# If you do not want to change any of the values, simply exit the editor.
+# If you do want to change a value, simply edit, save, and exit the editor.
+# The syntax for the file is as follows:
+# KEY:TYPE=VALUE
+# KEY is the name of a variable in the cache.
+# TYPE is a hint to GUIs for the type of VALUE, DO NOT EDIT TYPE!.
+# VALUE is the current value for the KEY.
+
+########################
+# EXTERNAL cache entries
+########################
+
+//Value Computed by CMake.
+CMAKE_FIND_PACKAGE_REDIRECTS_DIR:STATIC=C:/Users/vaish/OneDrive/Apps/openchemistry/cmake/CMakeFiles/pkgRedirects
+
+//Program used to build from makefiles.
+CMAKE_MAKE_PROGRAM:STRING=nmake
+
+//Value Computed by CMake
+CMAKE_PROJECT_DESCRIPTION:STATIC=
+
+//Value Computed by CMake
+CMAKE_PROJECT_HOMEPAGE_URL:STATIC=
+
+//Value Computed by CMake
+CMAKE_PROJECT_NAME:STATIC=OpenChemistry
+
+//Value Computed by CMake
+OpenChemistry_BINARY_DIR:STATIC=C:/Users/vaish/OneDrive/Apps/openchemistry/cmake
+
+//Value Computed by CMake
+OpenChemistry_IS_TOP_LEVEL:STATIC=ON
+
+//Value Computed by CMake
+OpenChemistry_SOURCE_DIR:STATIC=C:/Users/vaish/OneDrive/Apps/openchemistry
+
+
+########################
+# INTERNAL cache entries
+########################
+
+//This is the directory where this CMakeCache.txt was created
+CMAKE_CACHEFILE_DIR:INTERNAL=c:/Users/vaish/OneDrive/Apps/openchemistry/cmake
+//Major version of cmake used to create the current loaded cache
+CMAKE_CACHE_MAJOR_VERSION:INTERNAL=3
+//Minor version of cmake used to create the current loaded cache
+CMAKE_CACHE_MINOR_VERSION:INTERNAL=31
+//Patch version of cmake used to create the current loaded cache
+CMAKE_CACHE_PATCH_VERSION:INTERNAL=2
+//Path to CMake executable.
+CMAKE_COMMAND:INTERNAL=C:/Program Files/CMake/bin/cmake.exe
+//Path to cpack program executable.
+CMAKE_CPACK_COMMAND:INTERNAL=C:/Program Files/CMake/bin/cpack.exe
+//Path to ctest program executable.
+CMAKE_CTEST_COMMAND:INTERNAL=C:/Program Files/CMake/bin/ctest.exe
+//Path to cache edit program executable.
+CMAKE_EDIT_COMMAND:INTERNAL=C:/Program Files/CMake/bin/cmake-gui.exe
+//Name of external makefile project generator.
+CMAKE_EXTRA_GENERATOR:INTERNAL=
+//Name of generator.
+CMAKE_GENERATOR:INTERNAL=NMake Makefiles
+//Generator instance identifier.
+CMAKE_GENERATOR_INSTANCE:INTERNAL=
+//Name of generator platform.
+CMAKE_GENERATOR_PLATFORM:INTERNAL=
+//Name of generator toolset.
+CMAKE_GENERATOR_TOOLSET:INTERNAL=
+//Source directory with the top level CMakeLists.txt file for this
+// project
+CMAKE_HOME_DIRECTORY:INTERNAL=C:/Users/vaish/OneDrive/Apps/openchemistry
+//ADVANCED property for variable: CMAKE_MAKE_PROGRAM
+CMAKE_MAKE_PROGRAM-ADVANCED:INTERNAL=1
+//number of local generators
+CMAKE_NUMBER_OF_MAKEFILES:INTERNAL=1
+//Platform information initialized
+CMAKE_PLATFORM_INFO_INITIALIZED:INTERNAL=1
+//Path to CMake installation.
+CMAKE_ROOT:INTERNAL=C:/Program Files/CMake/share/cmake-3.31
+

cmake/CMakeFiles/3.31.2/CMakeSystem.cmake

@@ -0,0 +1,15 @@
+set(CMAKE_HOST_SYSTEM "Windows-10.0.22631")
+set(CMAKE_HOST_SYSTEM_NAME "Windows")
+set(CMAKE_HOST_SYSTEM_VERSION "10.0.22631")
+set(CMAKE_HOST_SYSTEM_PROCESSOR "AMD64")
+
+
+
+set(CMAKE_SYSTEM "Windows-10.0.22631")
+set(CMAKE_SYSTEM_NAME "Windows")
+set(CMAKE_SYSTEM_VERSION "10.0.22631")
+set(CMAKE_SYSTEM_PROCESSOR "AMD64")
+
+set(CMAKE_CROSSCOMPILING "FALSE")
+
+set(CMAKE_SYSTEM_LOADED 1)

cmake/CMakeFiles/CMakeConfigureLog.yaml

@@ -0,0 +1,11 @@
+
+---
+events:
+  -
+    kind: "message-v1"
+    backtrace:
+      - "C:/Program Files/CMake/share/cmake-3.31/Modules/CMakeDetermineSystem.cmake:205 (message)"
+      - "CMakeLists.txt:2 (project)"
+    message: |
+      The system is: Windows - 10.0.22631 - AMD64
+...

cmake/CMakeFiles/cmake.check_cache

@@ -0,0 +1 @@
+# This file is generated by cmake for dependency checking of the CMakeCache.txt file

cmake/External_eigen.cmake

@@ -4,7 +4,7 @@ ExternalProject_Add(eigen
   DOWNLOAD_DIR ${download_dir}
   BINARY_DIR ${eigen_build}
   URL ${eigen_url}
-  URL_MD5 ${eigen_md5}
+  URL_SHA256 ${eigen_sha256}
   CMAKE_CACHE_ARGS
     ${OpenChemistry_DEFAULT_ARGS}
     -DEIGEN_BUILD_DOC:BOOL=OFF

cmake/External_glew.cmake

@@ -16,7 +16,7 @@ ExternalProject_Add(glew
   SOURCE_DIR ${glew_source}
   INSTALL_DIR ${glew_install}
   URL ${glew_url}
-  URL_MD5 ${glew_md5}
+  URL_SHA256 ${glew_sha256}
   PATCH_COMMAND ${CMAKE_COMMAND} -E copy_if_different
     "${CMAKE_CURRENT_BINARY_DIR}/glew.CMakeLists.txt"
     "<SOURCE_DIR>/CMakeLists.txt"

cmake/External_gtest.cmake

@@ -1,7 +1,7 @@
 ExternalProject_Add(gtest
   DOWNLOAD_DIR ${download_dir}
   URL ${gtest_url}
-  URL_MD5 ${gtest_md5}
+  URL_SHA256 ${gtest_sha256}
   BINARY_DIR "${CMAKE_CURRENT_BINARY_DIR}/gtest"
   INSTALL_DIR "${OpenChemistry_INSTALL_PREFIX}"
   CMAKE_ARGS

cmake/External_hdf5.cmake

@@ -3,7 +3,7 @@ get_filename_component(_self_dir ${CMAKE_CURRENT_LIST_FILE} PATH)
 ExternalProject_Add(hdf5
   DOWNLOAD_DIR ${download_dir}
   URL ${hdf5_url}
-  URL_MD5 ${hdf5_md5}
+  URL_SHA256 ${hdf5_sha256}
   BINARY_DIR "${CMAKE_CURRENT_BINARY_DIR}/hdf5"
   INSTALL_DIR "${OpenChemistry_INSTALL_PREFIX}"
   CMAKE_ARGS

cmake/External_kdsoap.cmake

@@ -4,7 +4,7 @@ ExternalProject_Add(kdsoap
   DOWNLOAD_DIR ${download_dir}
   BINARY_DIR ${kdsoap_build}
   URL ${kdsoap_url}
-  URL_MD5 ${kdsoap_md5}
+  URL_SHA256 ${kdsoap_sha256}
   CMAKE_CACHE_ARGS
     ${OpenChemistry_DEFAULT_ARGS}
   )

cmake/External_libarchive.cmake

@@ -9,7 +9,7 @@ ExternalProject_Add(libarchive
   SOURCE_DIR "${libarchive_source}"
   INSTALL_DIR "${libarchive_install}"
   URL ${libarchive_url}
-  URL_MD5 ${libarchive_md5}
+  URL_SHA256 ${libarchive_sha256}
   BUILD_IN_SOURCE 1
   CMAKE_ARGS
     -DCMAKE_INSTALL_PREFIX:PATH=<INSTALL_DIR>

cmake/External_libmsym.cmake

@@ -5,7 +5,7 @@ ExternalProject_Add(libmsym
   DOWNLOAD_DIR ${download_dir}
   SOURCE_DIR "${libmsym_source}"
   URL ${libmsym_url}
-  URL_MD5 ${libmsym_md5}
+  URL_SHA256 ${libmsym_sha256}
   CMAKE_CACHE_ARGS
     ${OpenChemistry_DEFAULT_ARGS}
   CMAKE_ARGS

cmake/External_libxml2.cmake

@@ -44,7 +44,7 @@ ExternalProject_Add(libxml2
   SOURCE_DIR ${libxml2_source}
   INSTALL_DIR ${libxml2_install}
   URL ${libxml2_url}
-  URL_MD5 ${libxml2_md5}
+  URL_SHA256 ${libxml2_sha256}
   BUILD_IN_SOURCE 1
   ${libxml2_patch_command}
   ${libxml2_config_command}

cmake/External_mmtfcpp.cmake

@@ -8,7 +8,7 @@ get_filename_component(_self_dir ${CMAKE_CURRENT_LIST_FILE} PATH)
 ExternalProject_Add(mmtfcpp
   DOWNLOAD_DIR ${download_dir}
   URL ${mmtfcpp_url}
-  URL_MD5 ${mmtfcpp_md5}
+  URL_SHA256 ${mmtfcpp_sha256}
   CMAKE_CACHE_ARGS
     ${OpenChemistry_DEFAULT_ARGS}
   DEPENDS

cmake/External_msgpackc.cmake

@@ -7,7 +7,7 @@ ExternalProject_Add(msgpackc
   DOWNLOAD_DIR ${download_dir}
   SOURCE_DIR "${msgpackc_source}"
   URL ${msgpackc_url}
-  URL_MD5 ${msgpackc_md5}
+  URL_SHA256 ${msgpackc_sha256}
   CMAKE_ARGS
     ${OpenChemistry_DEFAULT_ARGS}
   PATCH_COMMAND ${CMAKE_COMMAND} -E copy_if_different

cmake/External_openbabel.cmake

@@ -13,7 +13,7 @@ ExternalProject_Add(openbabel
   DOWNLOAD_DIR ${download_dir}
   BINARY_DIR ${_build}
   URL ${openbabel_url}
-  URL_MD5 ${openbabel_md5}
+  URL_SHA256 ${openbabel_sha256}
   CMAKE_CACHE_ARGS
     ${OpenChemistry_DEFAULT_ARGS}
     -DENABLE_TESTS:BOOL=OFF

cmake/External_spglib.cmake

@@ -9,7 +9,7 @@ ExternalProject_Add(spglib
   SOURCE_DIR "${spglib_source}"
   INSTALL_DIR "${spglib_install}"
   URL ${spglib_url}
-  URL_MD5 ${spglib_md5}
+  URL_SHA256 ${spglib_sha256}
   BUILD_IN_SOURCE 1
   CMAKE_ARGS
     -DCMAKE_INSTALL_PREFIX:PATH=<INSTALL_DIR>

cmake/External_zlib.cmake

@@ -13,7 +13,7 @@ if(WIN32)
     BINARY_DIR ${zlib_build}
     INSTALL_DIR ${zlib_install}
     URL ${zlib_url}
-    URL_MD5 ${zlib_md5}
+    URL_SHA256 ${zlib_sha256}
     PATCH_COMMAND ${CMAKE_COMMAND} -E remove <SOURCE_DIR>/zconf.h
       COMMAND ${CMAKE_COMMAND} -E copy_if_different
         "${_self_dir}/zlib.CMakeLists.txt"
@@ -41,7 +41,7 @@ else()
     SOURCE_DIR ${zlib_source}
     INSTALL_DIR ${zlib_install}
     URL ${zlib_url}
-    URL_MD5 ${zlib_md5}
+    URL_SHA256 ${zlib_sha256}
     BUILD_IN_SOURCE 1
     CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>)
 endif()

cmake/download_all.cmake

@@ -19,8 +19,8 @@ function(compute_filename_from_url url filename_var)
 endfunction()
 
 
-# Download each file in turn. If it exists and the md5 matches, it will not be
-# downloaded again. If the md5 differs, it will be deleted and downloaded.
+# Download each file in turn. If it exists and the sha256 matches, it will not be
+# downloaded again. If the sha256 differs, it will be deleted and downloaded.
 message(STATUS "Downloading source tarballs to '${download_dir}'...")
 foreach(proj ${projects})
   compute_filename_from_url(${${proj}_url} filename)
@@ -31,7 +31,7 @@ foreach(proj ${projects})
     TIMEOUT 3600
     STATUS status
     LOG log
-    EXPECTED_MD5 ${${proj}_md5}
+    EXPECTED_SHA256 ${${proj}_sha256}
     SHOW_PROGRESS)
   list(GET status 0 status_code)
   list(GET status 1 status_string)

cmake/projects.cmake

@@ -4,88 +4,88 @@ unset(projects)
 list(APPEND projects eigen)
 set(eigen_version "3.4.0")
 set(eigen_url "https://gitlab.com/libeigen/eigen/-/archive/${eigen_version}/eigen-${eigen_version}.tar.gz")
-set(eigen_md5 "4c527a9171d71a72a9d4186e65bea559")
+set(eigen_sha256 "8586084f71f9bde545ee7fa6d00288b264a2b7ac3607b974e54d13e7162c1c72")
 
 # glew
 list(APPEND projects glew)
 set(glew_version "2.2.0")
 set(glew_url "https://github.com/nigels-com/glew/releases/download/glew-${glew_version}/glew-${glew_version}.tgz")
-set(glew_md5 "3579164bccaef09e36c0af7f4fd5c7c7")
+set(glew_sha256 "d4fc82893cfb00109578d0a1a2337fb8ca335b3ceccf97b97e5cc7f08e4353e1")
 
 # gtest
 list(APPEND projects gtest)
 set(gtest_version "1.13.0")
 set(gtest_url "https://github.com/google/googletest/archive/refs/tags/v${gtest_version}.tar.gz")
-set(gtest_md5 "95b29f0038ec84a611df951d74d99897")
+set(gtest_sha256 "ad7fdba11ea011c1d925b3289cf4af2c66a352e18d4c7264392fead75e919363")
 
 # hdf5
 list(APPEND projects hdf5)
 set(hdf5_version "1_10_10")
 set(hdf5_url "https://github.com/HDFGroup/hdf5/archive/hdf5-${hdf5_version}.tar.gz")
-set(hdf5_md5 "c9e7f394e7b87c00d6d3bf00c0009654")
+set(hdf5_sha256 "563940efec30ec027108bc425f45488ce98d356798bdf743441e574c2d52dd54")
 
 # Open Babel
 list(APPEND projects openbabel)
 #set(openbabel_version "3-1-1")
 #set(openbabel_url "https://github.com/openbabel/openbabel/archive/openbabel-${openbabel_version}.tar.gz")
 set(openbabel_url "https://github.com/openbabel/openbabel/archive/32cf131444c1555c749b356dab44fb9fe275271f.tar.gz")
-set(openbabel_md5 "69af3ace345d59cf501c25b3a66259d7")
+set(openbabel_sha256 "7b471015df510b30057b8356f42729a35dfd1f4fa85f205c56bbaf3c64e85071")
 
 # PCRE
 list(APPEND projects pcre)
 set(pcre_version "8.45")
 set(pcre_url "https://sourceforge.net/projects/pcre/files/pcre/${pcre_version}/pcre-${pcre_version}.tar.gz/download")
-set(pcre_md5 "3bcd2441024d00009a5fee43f058987c")
+set(pcre_sha256 "4e6ce03e0336e8b4a3d6c2b70b1c5e18590a5673a98186da90d4f33c23defc09")
 
 # libxml2
 list(APPEND projects libxml2)
 set(libxml2_version "2.10.4")
 set(libxml2_url "https://gitlab.gnome.org/GNOME/libxml2/-/archive/v${libxml2_version}/libxml2-v${libxml2_version}.tar.gz")
-set(libxml2_md5 "af682edd332aa9940c02c66dcbe4ccf3")
+set(libxml2_sha256 "7a4fe33f42abff6e4df8b153b4a527d59a6ed957f5621d9142ed68d4a473b1b5")
 
 # Zlib
 list(APPEND projects zlib)
 set(zlib_version "1.2.11")
 set(zlib_url "https://github.com/madler/zlib/archive/v${zlib_version}.tar.gz")
-set(zlib_md5 "0095d2d2d1f3442ce1318336637b695f")
+set(zlib_sha256 "629380c90a77b964d896ed37163f5c3a34f6e6d897311f1df2a7016355c45eff")
 
 # KDSoap
 list(APPEND projects kdsoap)
 set(kdsoap_version "1.10.0")
 set(kdsoap_url "https://github.com/KDAB/KDSoap/releases/download/kdsoap-${kdsoap_version}/kdsoap-${kdsoap_version}.tar.gz")
-set(kdsoap_md5 "ac6fa410678873c634c4fe0db875c02a")
+set(kdsoap_sha256 "0c606ecc434466dbadb2829820ca163af60cc7ca226f553b5d4032196737338f")
 
 # spglib
 list(APPEND projects spglib)
 set(spglib_version "2.5.0")
 set(spglib_url "https://github.com/spglib/spglib/archive/v${spglib_version}.tar.gz")
-set(spglib_md5 "13cdcdac341e1cd059502758f2721e70")
+set(spglib_sha256 "b6026f5e85106c0c9ee57e54b9399890d0f29982e20e96ede0428b3efbe6b914")
 
 # libarchive
 list(APPEND projects libarchive)
 set(libarchive_version "3.7.7")
 set(libarchive_url "https://github.com/libarchive/libarchive/archive/v${libarchive_version}.tar.gz")
-set(libarchive_md5 "26946b891d361a8dfc70c10e242cabae")
+set(libarchive_sha256 "fa62384995e8aa4f5a901c184fb5c91e56a29e24c05b6881a7f8fd5bbea694d2")
 
 # msgpackc
 list(APPEND projects msgpackc)
 set(msgpackc_version "3.3.0")
 set(msgpackc_url "https://github.com/msgpack/msgpack-c/releases/download/cpp-${msgpackc_version}/msgpack-${msgpackc_version}.tar.gz")
-set(msgpackc_md5 "e676575d52caae974e579c3d5f0ba6a2")
+set(msgpackc_sha256 "6e114d12a5ddb8cb11f669f83f32246e484a8addd0ce93f274996f1941c1f07b")
 
 # mmtf-cpp
 list(APPEND projects mmtf-cpp)
 set(mmtfcpp_version "1.1.0")
 set(mmtfcpp_url "https://github.com/rcsb/mmtf-cpp/archive/v${mmtfcpp_version}.tar.gz")
-set(mmtfcpp_md5 "ec961ff406a1636b4c5a25de7d9bd47b")
+set(mmtfcpp_sha256 "021173bdc1814b1d0541c4426277d39df2b629af53151999b137e015418f76c0")
 
 # libmsym
 list(APPEND projects libmsym)
 set(libmsym_version "0.2.3-paper")
 IF (WIN32)
   set(libmsym_url "https://github.com/mcodev31/libmsym/archive/0c47befe4a1cd05cbba1aa561b914be926e5ced7.tar.gz")
-  set(libmsym_md5 "369eb1c447c317a4482a3d560fcdb648")
+  set(libmsym_sha256 "7a8ef0eaaa3319fbf2bd4c829395706b9b28e76adad65385851c491f81cf196f")
 ELSE()
   set(libmsym_url "https://github.com/mcodev31/libmsym/archive/refs/tags/v${libmsym_version}.tar.gz")
-  set(libmsym_md5 "1221f9f0b1efefe061b0afbf8cf72481")
+  set(libmsym_sha256 "3741ebe163cf40696570d6b62e4834ca587d43dcac9de713994cc5e2960fb8fd")
 ENDIF()