iRASPA / RASPA3

This software is a general purpose classical simulation package.
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Compilation error on CentOS 7 #16

Closed BurnerJ closed 2 months ago

BurnerJ commented 3 months ago

Hello,

I am encountering the following error when trying to compile, any suggestions would be greatly appreciated!

Jake

/opt/ohpc/pub/llvm/llvm-project/build/bin/clang++ -DUSE_LEGACY_HEADERS -DVERSION=3.0.0 -I/opt/ohpc/pub/hdf5/hdf5/include -I/opt/ohpc/pub/hdf5/hdf5/zlib/zlib-1.3.1/include -stdlib=libc++ -fvisibility=hidden -fexperimental-library -Xclang -fopenmp -g -O3 -march=core-avx2 -mfma  -fomit-frame-pointer -ffast-math -std=c++23 -fPIC -Wall -Wextra -Wshadow -Wnon-virtual-dtor -Wold-style-cast -Wcast-align -Wunused -Woverloaded-virtual -Wpedantic -Wconversion -Wsign-conversion -Wnull-dereference -Wdouble-promotion -Wformat=2 -Wimplicit-fallthrough -Wno-gnu-anonymous-struct -Wno-error=deprecated-declarations -Wno-error=nan-infinity-disabled -Wno-deprecated-declarations -Wno-nan-infinity-disabled -Wno-unknown-warning-option -MD -MT src/CMakeFiles/raspakit.dir/symmetrykit/skasymmetricatom.ixx.o -MF src/CMakeFiles/raspakit.dir/symmetrykit/skasymmetricatom.ixx.o.d @src/CMakeFiles/raspakit.dir/symmetrykit/skasymmetricatom.ixx.o.modmap -o src/CMakeFiles/raspakit.dir/symmetrykit/skasymmetricatom.ixx.o -c /opt/ohpc/pub/raspa/raspa3/RASPA3/src/symmetrykit/skasymmetricatom.ixx
/opt/ohpc/pub/raspa/raspa3/RASPA3/src/symmetrykit/skasymmetricatom.ixx:29:14: error: declaration 'SKAsymmetricAtom' attached to named module 'skasymmetricatom' can't be attached to other modules
   29 | export class SKAsymmetricAtom
      |              ^
/opt/ohpc/pub/raspa/raspa3/RASPA3/src/symmetrykit/skatomcopy.ixx:17:7: note: also found
   17 | class SKAsymmetricAtom;
      |       ^
1 error generated.
dubbelda commented 2 months ago

You need llvm > 18.0 to compile. For the centos-7 package we are using the following docker-file: docker-file

BurnerJ commented 2 months ago

Thank you for your help! Using the versions of the packages listed in the docker-file fixed all my issues.