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adapt README and ChangeLog
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CHANGES
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=======
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2.0
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---
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- Fixed data structure of the <ecp> group in trex.org in order to simplify the
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access to both local and non-local quantities
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- Adapted data structure of the <basis> group to be consistent with the <ecp>
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1.1
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---
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10
README.md
10
README.md
@ -50,9 +50,15 @@ TREX library for efficient I/O.
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The `make install` command takes care of installing the TREXIO shared library on the user machine.
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Once installed, add `-ltrexio` to the list of compiler options.
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In some cases (e.g. when using custom `prefix` during configuration), the TREXIO library might end up installed in a directory, which is absent in the default `$LIBRARY_PATH`.
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In order to link the program against TREXIO, the search paths in the current shell can be modified as follows: `export LIBRARY_PATH=$LIBRARY_PATH:<path_to_trexio>/lib` (same holds for `$LD_LIBRARY_PATH`). Do not forget to change `<path_to_trexio>`.
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If your compilation relies on some build tools (like Autotools or CMake), feel free to use the built-in functions to locate and link external dependencies automatically.
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In order to link the program against TREXIO, the search paths can be modified as follows:
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`export LIBRARY_PATH=$LIBRARY_PATH:<path_to_trexio>/lib`
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(same holds for `$LD_LIBRARY_PATH`). The `<path_to_trexio>` has to be replaced by the prefix used during the installation.
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If your compilation relies on some build tools (like Autotools or CMake), feel free to use the built-in solutions to locate and link external dependencies automatically.
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In Fortran applications, make sure that the `trexio_f.f90` module file is included in the source tree.
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You might have to manually copy it into your program source directory.
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