NON-EQUILIBRIUM KELDYSH GREEN'S FUNCTIONS LIBRARY

Library is in beta state: use with caution

A Fortran library for Keldysh or Kadanoff-Baym non-equilibroum Green's functions calculations. The library provides interface to the most conventional operations involging KB Green's functions.

Dependencies

The code is based on:

GNU Fortran (gfortran) > 5.0 OR Intel Fortran Compiler Classic (ifort) > 13.0
CMake ≥ 3.0 [> 3.16 for ninja support]
Make OR Ninja ≥ 1.10
SciFortran

Further details are available at the SciFortran repo page. Succeding to install SciFortran usually means that all dependencies are automatically statisfied already.

Installation

Installation is available using CMake. In the current v0.0.1 API are only provided in Fortran.

Clone the repo:

git clone https://github.com/QcmPlab/kb_gf kb_gf

Optionally define the fortran compiler:

export FC=mpif90 # or gfortran or ifort if you don't need MPI

And from the repository directory make a standard out-of-source CMake compilation:

Using make (click to expand)

Default CMake workflow, with widest version support (CMake > 3.0).

mkdir build 
cd build  
cmake .. 
make

Using ninja (click to expand)

If a fortran-capable version of ninja ( https://ninja-build.org ) 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

Please follow the instructions on the screen to complete installation and load the library in your environment, using one of these, automatically generated, procedures:

pkg-config file in ~/.pkg-config.d/kb_gf.pc
environment module file ~/.modules.d/kb_gf/<PLAT>
homebrew bash script <PREFIX>/bin/configvars.sh

The CMake compilation can be controlled using the following additional variables, default values between < >:

-DPREFIX=prefix directory <~/opt/dmft_ed/VERSION/PLAT/[GIT_BRANCH]>
-DUSE_MPI=<yes>/no
-DVERBOSE=yes/<no>
-DBUILD_TYPE=<RELEASE>/TESTING/DEBUG

INSTALL

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

make install

ninja install

To actually link the library we provide some alternatives:

A generated pkg-config file to, installed to ~/.pkgconfig.d/kb_gf.pc
A generated environment module, installed to ~/.modules.d/kb_gf/<PLAT>/<VERSION>
A generated bash script at <PREFIX>/bin/configvars.sh, to be sourced for permanent loading.

which you can choose among by following the instructions printed on screen.

UNINSTALL

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 / ninja uninstall.

DOCUMENTATION

work in progress...

KNOWN PROBLEMS

work in progress... report any if you test this library

CONTACT

If you encounter bugs or difficulties, please file an issue. For any other communication, please reach out to:
adriano DOT amaricci @ gmail DOT com

The software is provided with no license, as such it is protected by copyright. The software is provided as it is and can be read and copied, in agreement with the Terms of Service of GITHUB. Use of the code is constrained to author agreement.

This program is free software: you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License (LGPL) as published by the Free Software Foundation, either version 3 of the License, or any later version.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU LGPL for more details.

You should have received a copy of the GNU LGPL along with this program. If not, see http://www.gnu.org/licenses/.

J0eLie/KB_GF