Install

EDIpack2.0 is available in the form of a static Fortran library libedipack2.a and the related Fortran module EDIPACK2. Installation is available using CMake. In the current release the library enables standard Fortran API and Python API EDIpy2.

Building

We assume that SciFortran and MPI have been correctly installed and are available in the system. See related documentation. Note that the installation of EDIpack2.0 closely follows the SciFortran template.

Clone the repo:

git clone https://github.com/aamaricci/EDIpack2.0 EDIpack2

Optionally define the fortran compiler:

export FC=mpif90/gfortran/ifort

From the repository directory (cd EDIpack2) make a standard out-of-source CMake compilation:

GNU Make

Using GNU make is the default CMake workflow, with widest version support (CMake > 3.0). Note that parallel make execution is tested and working.

mkdir build
cd build
cmake ..
make -j

Ninja

Using ninja if a fortran-capable version of ninja is available in your system (and CMake can take advantage of it), you can use it to build the library at lightning, multi-threaded, speed.

mkdir build
cd build
cmake -GNinja ..
ninja

The CMake compilation can be customized using the following additional variables:

CMake Options

Option	Scope	Value
-DPREFIX	prefix directory	~/opt/EDIpack2/VERSION/PLATFORM/[GIT_BRANCH]
-DUSE_MPI	MPI support pre-compilation flag	yes/True OR no/False (default: True)
-DVERBOSE	Verbose CMake output	yes/True OR no/False (default: True, superseded by make VERBOSE=yes/no
-DBUILD_TYPE	Compilation flags	RELEASE/TESTING/DEBUG/AGGRESSIVE (Default RELEASE)

Warning

BUILD_TYPE=AGGRESSIVE includes many deep level debug options which might not compile on some systems or breakdown compilation at linking step.

Install

System-wide installation is completed after the build step using either:

make install

or

ninja install

Please follow the instructions on the screen to complete installation on your environment. The library can be loaded using one of the following, automatically generated, files :

• A generated environment module , installed to`~/.modules.d/EDIpack2/<PLAT>`

• A generated bash script at <PREFIX>/bin/configvars.sh, to be sourced for permanent loading.

• A generated pkg-config file to, installed to ~/.pkg-config.d/EDIpack2.pc

Uninstall

Although CMake does not officially provide uninstall procedures in the generated Make/Ninja files. Hence SciFortran supplies a homebrew method to remove the generated files by calling (from the relevant build folder):

make uninstall

or

ninja uninstall

Install Python API

The edipy2 python module is installable from this folder via:

pip install .

Note

On some systems such as Debian >= 11 and Mac Os, and if a virtual environment is not in use, the flag –break-system-packages has to be set. This creates no issue since no distro is packaging this library.

To remove the module, run:

pip uninstall -y edipy2

with same caveat for the –break-system-packages flag.

Tip

See EDIpy2 documentation for more details on installing the python API.