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swig error
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# Configure with this line: | |
cmake -S. -Bbuild -DXTB_INCLUDE_DIR=/mnt/simdata/pbarletta/miniforge3/envs/mope/include -DXTB_LIBRARY_DIR=/mnt/simdata/pbarletta/miniforge3/envs/mope/lib -DCMAKE_INSTALL_PREFIX=/mnt/simdata/pbarletta/openmm-8.1.2 -DSWIG_EXECUTABLE=`which swig` -DCMAKE_PREFIX_PATH=/mnt/simdata/pbarletta/openmm-8.1.2 | |
# go into build and compile+install | |
(mope) [yorkgroup@chardonnay build]$ make install | |
[ 11%] Building CXX object CMakeFiles/OpenMMXTB.dir/openmmapi/src/XtbForce.cpp.o | |
[ 22%] Building CXX object CMakeFiles/OpenMMXTB.dir/openmmapi/src/XtbForceImpl.cpp.o | |
[ 33%] Building CXX object CMakeFiles/OpenMMXTB.dir/serialization/src/XtbForceProxy.cpp.o | |
[ 44%] Building CXX object CMakeFiles/OpenMMXTB.dir/serialization/src/XtbSerializationProxyRegistration.cpp.o | |
[ 55%] Linking CXX shared library libOpenMMXTB.so | |
[ 55%] Built target OpenMMXTB | |
[ 66%] Building CXX object tests/CMakeFiles/TestXtbForce.dir/TestXtbForce.cpp.o | |
[ 77%] Linking CXX executable TestXtbForce | |
[ 77%] Built target TestXtbForce | |
[ 88%] Building CXX object serialization/tests/CMakeFiles/TestSerializeXtbForce.dir/TestSerializeXtbForce.cpp.o | |
[100%] Linking CXX executable TestSerializeXtbForce | |
[100%] Built target TestSerializeXtbForce | |
Install the project... | |
-- Install configuration: "" | |
-- Up-to-date: /mnt/simdata/pbarletta/openmm-8.1.2/include/XtbForce.h | |
-- Up-to-date: /mnt/simdata/pbarletta/openmm-8.1.2/include/XtbKernels.h | |
-- Up-to-date: /mnt/simdata/pbarletta/openmm-8.1.2/include/internal/XtbForceImpl.h | |
-- Up-to-date: /mnt/simdata/pbarletta/openmm-8.1.2/include/internal/windowsExportXtb.h | |
-- Installing: /mnt/simdata/pbarletta/openmm-8.1.2/lib/libOpenMMXTB.so | |
-- Set runtime path of "/mnt/simdata/pbarletta/openmm-8.1.2/lib/libOpenMMXTB.so" to "" | |
# and then get an error when trying to generate the plugin using swig: | |
(mope) [yorkgroup@chardonnay build]$ make PythonInstall | |
[ 20%] CMake-copying file /mnt/simdata/pbarletta/openmm-xtb/python/openmmxtb/forcefields/xtb/gfnff.xml to /mnt/simdata/pbarletta/openmm-xtb/build/python/openmmxtb/forcefields/xtb/gfnff.xml | |
[ 40%] CMake-copying file /mnt/simdata/pbarletta/openmm-xtb/python/openmmxtb/__init__.py to /mnt/simdata/pbarletta/openmm-xtb/build/python/openmmxtb/__init__.py | |
[ 60%] CMake-copying file /mnt/simdata/pbarletta/openmm-xtb/python/openmmxtb/forcefields/xtb/gfn1xtb.xml to /mnt/simdata/pbarletta/openmm-xtb/build/python/openmmxtb/forcefields/xtb/gfn1xtb.xml | |
[ 80%] CMake-copying file /mnt/simdata/pbarletta/openmm-xtb/python/openmmxtb/forcefields/xtb/gfn2xtb.xml to /mnt/simdata/pbarletta/openmm-xtb/build/python/openmmxtb/forcefields/xtb/gfn2xtb.xml | |
[100%] Generating XtbPluginWrapper.cpp | |
/mnt/simdata/pbarletta/openmm-xtb/python/xtbplugin.i:3: Error: Unable to find 'swig/OpenMMSwigHeaders.i' | |
make[3]: *** [python/CMakeFiles/PythonInstall.dir/build.make:77: python/XtbPluginWrapper.cpp] Error 1 | |
make[2]: *** [CMakeFiles/Makefile2:214: python/CMakeFiles/PythonInstall.dir/all] Error 2 | |
make[1]: *** [CMakeFiles/Makefile2:221: python/CMakeFiles/PythonInstall.dir/rule] Error 2 | |
make: *** [Makefile:218: PythonInstall] Error 2 | |
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