pauca / RRDKit

A pragmatic interface to RDKit in R
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installation error #5

Open pramodkp opened 4 years ago

pramodkp commented 4 years ago

Hii , I tried to install the package in rstudio but installation failed. Can you help me figure out the problem. below is the error.

library(devtools) Loading required package: usethis install_github("pauca/rrdkit/rrdkit") Downloading GitHub repo pauca/rrdkit@master ✔ checking for file ‘/tmp/RtmprNXBa5/remotes2c977d55c7c2/pauca-RRDKit-8954221/rrdkit/DESCRIPTION’ ... ─ preparing ‘rrdkit’: ✔ checking DESCRIPTION meta-information ... ─ cleaning src ─ checking for LF line-endings in source and make files and shell scripts ─ checking for empty or unneeded directories ─ building ‘rrdkit_0.13.tar.gz’

Installing package into ‘/home/cadd/R/x86_64-redhat-linux-gnu-library/3.6’ (as ‘lib’ is unspecified)

gbaquer commented 4 years ago

I have the exact same issue

nghiencuuthuoc commented 3 years ago

inchi.cpp:57:10: fatal error: GraphMol/PeriodicTable.h: No such file or directory 57 | #include <GraphMol/PeriodicTable.h> | ^~~~~~ compilation terminated. make: *** [/usr/lib/R/etc/Makeconf:181: inchi.o] Error 1 ERROR: compilation failed for package ‘rrdkit’

lawremi commented 1 year ago

It's expecting to find the headers in ${RDBASE}/Code, which does not appear to be set, since the compiler line has -I/Code. Once that is set, it should look in the right directory, but note that least when I installed RDKit via homebrew, I had to manually create the symlink from ${RDBASE}/Code into the Cellar directory containing the headers.