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switch to using InChI 1.06 (#4332)

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Need to update one expected InChI here due to the version change.
I confirmed via direct use of the mol block that the new one is correct.
This commit is contained in:
Greg Landrum
2021-07-13 15:47:14 +02:00
committed by GitHub
parent b9a5be5a2d
commit 633f3a9f44
3 changed files with 5 additions and 5 deletions
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4
Code/cmake/Modules/FindInchi.cmake
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@@ -39,10 +39,10 @@ else(EXISTS ${CUSTOM_INCHI_PATH}/src/INCHI_BASE/src/ichican2.c)
else (INCHI_FOUND)
# system InChI is missing, download it
if(NOT DEFINED INCHI_URL)
set(INCHI_URL "https://www.inchi-trust.org/download/105/INCHI-1-SRC.zip")
set(INCHI_URL "https://www.inchi-trust.org/download/106/INCHI-1-SRC.zip")
endif()
if(NOT DEFINED INCHI_MD5SUM)
set(INCHI_MD5SUM "ccc497c7e6ced1521a6953d859e49af4")
set(INCHI_MD5SUM "f2efa0c58cef32915686c04d7055b4e9")
endif()
if(NOT DEFINED INCHI_BASE)
string(REGEX REPLACE "^.*/" "" INCHI_BASE "${INCHI_URL}")