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source codes of the main programs, DSQSS/DLA and DSQSS/PMWA\n- tool\n  - utility tools (input file generators)\n- sample\n  - examples of application\n- test\n  - test suite\n- doc\n  - document\n- config\n  - configuration files used in CMake\n\n## Build and Install\n\n### prerequisite\n\n- C++ Compiler\n- CMake \u003e=2.8.12\n- Python \u003e=3.6\n  - numpy\n  - scipy\n  - toml\n  - typing_extensions (if Python \u003c 3.8)\n\n### Simple build\n\n``` bash\nrm -rf build\nmkdir build\ncd build\ncmake ../\nmake\n```\n\n#### Notes\n\nTo change compiler, add `-DCMAKE_CXX_COMPILER` like\n\n``` bash\ncmake ../ -DCMAKE_CXX_COMPILER=`which icpc`\n```\n\nFor Intel compiler, DSQSS offers another option `-DCONFIG=intel` for setting compiler and adding compiler options\n\n```bash\ncmake ../ -DCONFIG=intel\n```\n\nYou can find executable files in `build/src/dla`, `build/tool` and `build/src/pmwa/`.\n\n### build manual\n\n[Sphinx](http://www.sphinx-doc.org) and `sphinxcontrib-spelling` are required.\nLaTeX is required for PDF format.\n\n``` bash\n# in the build directory,\ncmake -DDocument=ON ../\nmake doc\n```\n\n### Testing\n\n``` bash\n# in the build directory,\nctest\n```\n\nWhen some tests failed, you can check output of these tests by following:\n\n``` bash\n# in the build directory,\nctest -V -R \"test name\"\n```\n\nTest names can be specified by the regular expression.\n\n### Install\n\nThe path to install is specified by `-DCMAKE_INSTALL_PREFIX` as the following,\n\n``` bash\n# in the build directory,\ncmake -DCMAKE_INSTALL_PREFIX=${INSTALL_DIR} ../\nmake install\n```\n\nAfter this process, executable files such as `dla` are installed to `${INSTALL_DIR}/bin`,\na configuration file `dsqssvars-${DSQSS_VERSION}.sh` to `${INSTALL_DIR}/share/dsqss/`,\nsample files to `${INSTALL_DIR}/share/dsqss/dsqss-${DSQSS_VERSION}/sample`,\nand documents (if built) to `${INSTALL_DIR}/share/dsqss/dsqss-${DSQSS_VERSION}/doc`.\n\n### Example\n\n``` bash\nsource ${INSTALL_DIR}/share/dsqss/dsqssvars-${DSQSS_VERSION}.sh\ncd sample/dla/01_spindimer\ndla_pre std.toml\ndla param.in\ncat sample.log | grep ene\n```\n\nFor details, [see manual page](https://issp-center-dev.github.io/dsqss/manual/master/en/dla/tutorial/spindimer.html).\n\n## Paper\n\nWe would appreciate if you cite the following article in your research with DSQSS,\n[Y. Motoyama, K. Yoshimi, A. Masaki-Kato, T. Kato, and N. Kawashima, Comput. Phys. Commun. 264, 107944 (2021)](https://www.sciencedirect.com/science/article/pii/S0010465521000692).\n\nThe preprint is [arXiv:2007.11329](https://arxiv.org/abs/2007.11329).\n\n## License\n\n### License of DSQSS\n\nDSQSS is distributed under the GNU GPL v3.\n\n### License of the bundled libs\n\n- [Boost C++ library](https://www.boost.org/) is redistributed under the Boost software license.\n- [Plog](https://github.com/SergiusTheBest/plog) is redistributed under the Mozilla Public License 2.0\n- [`FindPythonModule.cmake`](https://github.com/openturns/openturns/tree/master/cmake.FindPythonModule.cmake) is redistributed under the OSI approved BSD license.\n\n## Acknowledgement\n\nDSQSS v1.2 and v2.0 are developed under the support of \"Project for advancement of software usability in materials science\" in fiscal year 2018 by The Institute for Solid State Physics, The University of Tokyo.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fissp-center-dev%2Fdsqss","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fissp-center-dev%2Fdsqss","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fissp-center-dev%2Fdsqss/lists"}