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blob 5b73864f516e4366e71d830fe469b2f6d56f7cdd 4522 bytes (raw)
name: gnu/packages/patches/rdkit-cmake-external-dependencies.patch 	 # note: path name is non-authoritative(*)

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diff -ur a/External/FreeSASA/CMakeLists.txt b/External/FreeSASA/CMakeLists.txt
--- a/External/FreeSASA/CMakeLists.txt
+++ b/External/FreeSASA/CMakeLists.txt
@@ -10,7 +10,7 @@
   endif()
 endif()
 
-if(needDownload)
+if(FALSE)
   # don't actually use the md5 here
   set(FREESASA_VERSION "2.0.3")
   set(FREESASA_SRC_DIR "${CMAKE_CURRENT_SOURCE_DIR}/freesasa-${FREESASA_VERSION}")
@@ -66,24 +66,24 @@
 endif()
 
 set (freesasa_h ${FREESASA_SRC_DIR}/src/freesasa.h)
-file(READ ${freesasa_h} freesasa_h_data)
+#file(READ ${freesasa_h} freesasa_h_data)
 string(REGEX REPLACE "(#include <stdio.h>)" "\\1\n#include <RDGeneral/export.h>" freesasa_h_data "${freesasa_h_data}")
 string(REGEX REPLACE "([^R][^D][^K][^I][^T][^_][^F][^R][^E][^E][^S][^A][^S][^A][^_][^C][^L][^I][^B][^_][^E][^X][^P][^O][^R][^T][^ ])(extern const)" "\\1RDKIT_FREESASA_CLIB_EXPORT \\2" freesasa_h_data "${freesasa_h_data}")
-file(WRITE ${freesasa_h} "${freesasa_h_data}")
+#file(WRITE ${freesasa_h} "${freesasa_h_data}")
 
 add_definitions(-DUSE_THREADS=0)
 add_definitions(-DUSE_JSON=0)
 add_definitions(-DUSE_XML=0)
-rdkit_library(freesasa_clib ${freesasa_clib_srcs})
-target_compile_definitions(freesasa_clib PRIVATE RDKIT_FREESASALIB_BUILD)
+#rdkit_library(freesasa_clib ${freesasa_clib_srcs})
+#target_compile_definitions(freesasa_clib PRIVATE RDKIT_FREESASALIB_BUILD)
 
 if((MSVC AND RDK_INSTALL_DLLS_MSVC) OR ((NOT MSVC) AND WIN32))
   set_target_properties(freesasa_clib PROPERTIES WINDOWS_EXPORT_ALL_SYMBOLS TRUE)
 endif()
-include_directories("${FREESASA_SRC_DIR}/src")
+#include_directories("${FREESASA_SRC_DIR}/src")
 
 rdkit_library(FreeSASALib RDFreeSASA.cpp SHARED 
-    LINK_LIBRARIES freesasa_clib GraphMol )
+    LINK_LIBRARIES -lfreesasa GraphMol )
 target_compile_definitions(FreeSASALib PRIVATE RDKIT_FREESASALIB_BUILD)
 
 rdkit_headers(RDFreeSASA.h DEST GraphMol)
diff -ur a/External/YAeHMOP/CMakeLists.txt b/External/YAeHMOP/CMakeLists.txt
--- a/External/YAeHMOP/CMakeLists.txt
+++ b/External/YAeHMOP/CMakeLists.txt
@@ -18,32 +18,32 @@
 
 include_directories( ${RDKit_ExternalDir}/YAeHMOP )
 
-ExternalProject_Add(yaehmop_project
-  GIT_REPOSITORY https://github.com/greglandrum/yaehmop.git
-  GIT_TAG master
-  UPDATE_COMMAND ""
-  PATCH_COMMAND ""
-  PREFIX ${CMAKE_CURRENT_SOURCE_DIR}
-  SOURCE_DIR "${CMAKE_CURRENT_SOURCE_DIR}/yaehmop"
-  SOURCE_SUBDIR "tightbind"
-  CMAKE_ARGS -DUSE_BLAS_LAPACK=OFF -DCMAKE_INSTALL_PREFIX=${PROJECT_BINARY_DIR} -DCMAKE_C_FLAGS=${CMAKE_C_FLAGS} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-  TEST_COMMAND "")
-
-include_directories(${PROJECT_BINARY_DIR}/include)
-link_directories(${PROJECT_BINARY_DIR}/lib)
-link_directories(${CMAKE_CURRENT_SOURCE_DIR}/src/yaehmop_project-build)
-
-set(EHT_PARAM_FILE ${CMAKE_CURRENT_SOURCE_DIR}/yaehmop/tightbind/eht_parms.dat )
-install(FILES ${EHT_PARAM_FILE}
-        DESTINATION ${RDKit_ShareDir}/Data
-        COMPONENT data)
+#ExternalProject_Add(yaehmop_project
+#  GIT_REPOSITORY https://github.com/greglandrum/yaehmop.git
+#  GIT_TAG master
+#  UPDATE_COMMAND ""
+#  PATCH_COMMAND ""
+#  PREFIX ${CMAKE_CURRENT_SOURCE_DIR}
+#  SOURCE_DIR "${CMAKE_CURRENT_SOURCE_DIR}/yaehmop"
+#  SOURCE_SUBDIR "tightbind"
+#  CMAKE_ARGS -DUSE_BLAS_LAPACK=OFF -DCMAKE_INSTALL_PREFIX=${PROJECT_BINARY_DIR} -DCMAKE_C_FLAGS=${CMAKE_C_FLAGS} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
+#  TEST_COMMAND "")
+
+#include_directories(${PROJECT_BINARY_DIR}/include)
+#link_directories(${PROJECT_BINARY_DIR}/lib)
+#link_directories(${CMAKE_CURRENT_SOURCE_DIR}/src/yaehmop_project-build)
+
+#set(EHT_PARAM_FILE ${CMAKE_CURRENT_SOURCE_DIR}/yaehmop/tightbind/eht_parms.dat )
+#install(FILES ${EHT_PARAM_FILE}
+#        DESTINATION ${RDKit_ShareDir}/Data
+#        COMPONENT data)
 
-message("YAeHMOP include_dirs: ${PROJECT_BINARY_DIR}/include")
-message("YAeHMOP link_dirs: ${PROJECT_BINARY_DIR}/lib ${CMAKE_CURRENT_SOURCE_DIR}/src/yaehmop_project-build")
+#message("YAeHMOP include_dirs: ${PROJECT_BINARY_DIR}/include")
+#message("YAeHMOP link_dirs: ${PROJECT_BINARY_DIR}/lib ${CMAKE_CURRENT_SOURCE_DIR}/src/yaehmop_project-build")
 
-rdkit_library(EHTLib EHTTools.cpp SHARED LINK_LIBRARIES yaehmop_eht GraphMol )
+rdkit_library(EHTLib EHTTools.cpp SHARED LINK_LIBRARIES -lyaehmop_eht GraphMol )
 target_compile_definitions(EHTLib PRIVATE RDKIT_EHTLIB_BUILD)
-add_dependencies(EHTLib yaehmop_project)
+#add_dependencies(EHTLib yaehmop_project)
 rdkit_headers(EHTTools.h DEST GraphMol)
 rdkit_catch_test(testEHTLib1 test1.cpp
            LINK_LIBRARIES EHTLib FileParsers SmilesParse )

debug log:

solving 5b73864f51 ...
found 5b73864f51 in https://yhetil.org/guix/20221007152226.362-2-david.elsing@posteo.net/ ||
	https://yhetil.org/guix/06dceecde661574f95f3a6324285077d0bc6896a.1664725832.git.david.elsing@posteo.net/

applying [1/1] https://yhetil.org/guix/20221007152226.362-2-david.elsing@posteo.net/
diff --git a/gnu/packages/patches/rdkit-cmake-external-dependencies.patch b/gnu/packages/patches/rdkit-cmake-external-dependencies.patch
new file mode 100644
index 0000000000..5b73864f51

1:13: trailing whitespace.
 
1:21: trailing whitespace.
 
1:29: trailing whitespace.
 
1:37: trailing whitespace.
 
1:43: trailing whitespace.
 
Checking patch gnu/packages/patches/rdkit-cmake-external-dependencies.patch...
Applied patch gnu/packages/patches/rdkit-cmake-external-dependencies.patch cleanly.
warning: squelched 6 whitespace errors
warning: 11 lines add whitespace errors.

skipping https://yhetil.org/guix/06dceecde661574f95f3a6324285077d0bc6896a.1664725832.git.david.elsing@posteo.net/ for 5b73864f51
index at:
100644 5b73864f516e4366e71d830fe469b2f6d56f7cdd	gnu/packages/patches/rdkit-cmake-external-dependencies.patch

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