chemmineOB install help
1
0
Entering edit mode
jrbald04 • 0
@f3fd86b6
Last seen 2 days ago
United States

I'm having difficulty installing chemmineOB. I was able to install biocmanager and chemmineR without much difficulty. I installed openbabel using brew and found that it exists in ~/local/include/openbabel-2.0/openbabel/ in my directories. It is version 3.1.0. I am running r version 4.4.0 and I have bioconductor version 3.19 (all current). I have been running:

if (!require("BiocManager", quietly = TRUE))
    install.packages("BiocManager")

BiocManager::install("ChemmineOB")

and I get:

ChemmineOB.cpp:1569:10: fatal error: 'openbabel/obutil.h' file not found
#include <openbabel/obutil.h>
         ^~~~~~~~~~~~~~~~~~~~
1 error generated.
make: *** [ChemmineOB.o] Error 1

I'm not sure why it won't recognize .obutil.h as this file exists in that directory.

ChemmineOB Install • 151 views
ADD COMMENT
0
Entering edit mode

I resinstalled openbabel and was successful in doing so. I also downloaded the .tgz file from the website for chemmineOB and am now getting this error. Could it possibly be that I am running it on an M2 chip and it is not compatible with it? I've also confirmed that the /Library/Frameworks/R.framework/Versions/4.4-arm64/Resources/library/ChemmineOB/libs/ChemmineOB.so filepath does exist.

Error: package or namespace load failed for ChemmineOB:
 .onLoad failed in loadNamespace() for ChemmineOB, details:
  call: dyn.load(file, DLLpath = DLLpath, ...)
  error: unable to load shared object /Library/Frameworks/R.framework/Versions/4.4-arm64/Resources/library/ChemmineOB/libs/ChemmineOB.so:
 (mach-o file, but is an incompatible architecture (have x86_64, need arm64e or arm64))
ADD REPLY
1
Entering edit mode
khoran ▴ 10
@khoran-10774
Last seen 4 days ago
Canada

ChemmineOB has never been tested on arm64 and is unlikely to work as-is. Since I don't have access to an M2, I'm afraid I can't be much help.

ADD COMMENT
0
Entering edit mode

Gotcha! thanks for the reply

ADD REPLY

Login before adding your answer.

Traffic: 399 users visited in the last hour
Help About
FAQ
Access RSS
API
Stats

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.

Powered by the version 2.3.6