TREXIO

TREX library fo efficient I/O.

Minimal requirements (for users):

• Autoconf
• C compiler (gcc/icc/clang)
• Fortran compiler (gfortran/ifort/flang)

Installation procedure from the tarball (for users):

1. Download the trexio-<version>.tar.gz file
2. gzip -cd trexio-<version>.tar.gz | tar xvf -
3. cd trexio-<version>
4. ./configure
5. make
6. make check
7. sudo make install

Note: on systems with no sudo rights access, one can replace ./configure with ./configure prefix=${PWD} in order to execite make install/uninstall commands without sudo. This will enable the installation in the root directory of the library.

Additional requirements (for developers):

• Automake
• python3 (>=3.6)
• emacs (>=26.0)

Installation procedure from the GitHub repo clone (for developers):

1. git clone https://github.com/TREX-CoE/trexio.git
2. cd trexio
3. cd tools && ./build_trexio.sh && cd ..
4. autoreconf
5. automake --add-missing --copy
6. ./configure
7. make
8. make check
9. sudo make install

Tutorial

TODO

Technical documentation

Documentation generated from TREXIO org-mode files

Miscellaneous

Note: The code should be compliant with the C99 CERT C coding standard. This can be checked with the cppcheck tool.