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em's Issues

An index used outside the loop

In material.f90 at line 352, shouldn't
mat % meanFreePath(j) = (1.0 / mat%muExtTotal(i))
be
mat % meanFreePath(j) = (1.0 / mat%muExtTotal(j))

xraylib gives incorrect values inside the Docker

There is something fishy going on with the xraylib wrapper.
Everything is compiled using CMake just fine, but when the material.f90 asks EdgeEnergy from xraylib the values are incorrect.

I explicitly set the correct modules and libraries in /src/lib/xr/CMakeLists, and after that the program started to give correct values.

it might just be the xraylib inside the Docker container, or there is something wrong with how the xraylib is called (newer version of the xraylib I presume, also some of the functions take real(8) instead of real(4))

CMake example:

ADD_LIBRARY(xr material.f90 bfdf.f90)
TARGET_INCLUDE_DIRECTORIES(xr PUBLIC /usr/include/xraylib/)
TARGET_LINK_LIBRARIES(xr core emrandom)
TARGET_LINK_LIBRARIES(xr PUBLIC /usr/lib/x86_64-linux-gnu/libxrlf03.so)
install(TARGETS xr LIBRARY DESTINATION lib
                   ARCHIVE DESTINATION lib/uhoem)

Also I totally passed the wrapper

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