girke-lab / ChemmineOB

OpenBabel wrapper package for R
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R install failing with fatal error: 'openbabel/obutil.h' file not found #38

Open CLUES-Emory opened 3 months ago

CLUES-Emory commented 3 months ago

Hello, I am attempting to install ChemmineOB in R from Bioconductor, but I keep running into the following error message:

ChemmineOB.cpp:1569:10: fatal error: 'openbabel/obutil.h' file not found

include <openbabel/obutil.h>

     ^~~~~~~~~~~~~~~~~~~~

1 error generated. make: *** [ChemmineOB.o] Error 1 ERROR: compilation failed for package ‘ChemmineOB’

I am on MacOS, and install OpenBabel using Conda. Session info is below. Thanks!!

R version 4.3.3 (2024-02-29) Platform: aarch64-apple-darwin20 (64-bit) Running under: macOS Monterey 12.5

Matrix products: default BLAS: /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libBLAS.dylib LAPACK: /Library/Frameworks/R.framework/Versions/4.3-arm64/Resources/lib/libRlapack.dylib; LAPACK version 3.11.0

locale: [1] en_US.UTF-8/en_US.UTF-8/en_US.UTF-8/C/en_US.UTF-8/en_US.UTF-8

time zone: America/New_York tzcode source: internal

attached base packages: [1] stats graphics grDevices utils datasets methods base

loaded via a namespace (and not attached): [1] BiocManager_1.30.22 compiler_4.3.3 tools_4.3.3 rstudioapi_0.15.0

tcaceresm commented 3 months ago

At least on Ubuntu Linux, that problem is solved by installing libopenbabel-dev