[AMBER] error when compiling Amber22

From: Irene Maffucci via AMBER <amber.ambermd.org>
Date: Thu, 07 Dec 2023 16:17:21 +0100

Dear Amber users,

I've been using Amber since Amber12 so I had to compile it multiple
times and on multiple working stations without having any issue. I have
now a new working station with Ubuntu22 on it and I am trying to compile
Amber22, however when compiling the serial version I end up with the
following error during the "Building pytraj native library" step:

building 'pytraj.datasets.c_datasetlist' extension
creating build/temp.linux-x86_64-cpython-311
creating build/temp.linux-x86_64-cpython-311/pytraj
creating build/temp.linux-x86_64-cpython-311/pytraj/datasets
/usr/bin/gcc -DNDEBUG -fwrapv -O2 -Wall -fPIC -O2 -isystem
/usr/local/amber22_src/build/CMakeFiles/miniconda/install/include -fPIC
-O2 -isystem
/usr/local/amber22_src/build/CMakeFiles/miniconda/install/include -fPIC
-I/usr/local/amber22_src/AmberTools/src/pytraj/../cpptraj/src
-I/usr/local/amber22_src/AmberTools/src/pytraj/pytraj
-I/usr/local/amber22_src/build/CMakeFiles/miniconda/install/include/python3.11
-c pytraj/datasets/c_datasetlist.cpp -o
build/temp.linux-x86_64-cpython-311/pytraj/datasets/c_datasetlist.o -O0
-ggdb -Wl,-rpath=/usr/local/amber22_src/build/AmberTools/src/cpptraj/src
pytraj/datasets/c_datasetlist.cpp:212:12: fatal error: longintrepr.h: No
such file or directory
   212 | #include "longintrepr.h"
       | ^~~~~~~~~~~~~~~
compilation terminated.
error: command '/usr/bin/gcc' failed with exit code 1
make[2]: *** [AmberTools/src/pytraj/CMakeFiles/pytraj.dir/build.make:533
: AmberTools/src/pytraj/CMakeFiles/python-build/pytraj-build.stamp]
Error 1
make[1]: *** [CMakeFiles/Makefile2:7784 :
AmberTools/src/pytraj/CMakeFiles/pytraj.dir/all] Error 2
make: *** [Makefile:156 : all] Error 2

I tried to find a solution by myself, it might come from a problem with
python 3.11 installed during the process, but I am no sure about it.
Did anyone encounter the same error or might be able to help me to solve
it?

Thanks in advance
Best regards
Irene

-- 
Irene Maffucci, PhD
Lab. de Génie Enzymatique et Cellulaire
UMR CNRS 7025
Université de Technologie de Compiègne
Centre de Recherche Royallieu
CS60319
60203 Compiègne cedex
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Received on Thu Dec 07 2023 - 07:30:02 PST
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