From 71dd3c4a718fcb45c875c6c571de59470e6074a8 Mon Sep 17 00:00:00 2001 From: Loris Ercole Date: Wed, 2 Mar 2022 22:01:43 +0100 Subject: [PATCH] Release SporTran `v1.0.0rc1` First release candidate of Sportran 1.0.0 --- README.md | 15 +++++---------- setup.json | 4 ++-- sportran/__init__.py | 9 +++++++++ sportran/analysis.py | 2 +- sportran_gui/__init__.py | 5 ++++- 5 files changed, 21 insertions(+), 14 deletions(-) diff --git a/README.md b/README.md index d0b3ab1..3489a78 100644 --- a/README.md +++ b/README.md @@ -9,7 +9,7 @@ A code to estimate transport coefficients from the cepstral analysis of a multi- https://sportran.readthedocs.io ### References - - Ercole L., Bertossa R., Bisacchi S., and Baroni S., _SporTran: a code to estimate transport coefficients from the cepstral analysis of (multivariate) current time series_. (in preparation) + - [Ercole L., Bertossa R., Bisacchi S., and Baroni S., "_SporTran: a code to estimate transport coefficients from the cepstral analysis of (multivariate) current time series_", *arXiv*:2202.11571 (2022)](https://arxiv.org/abs/2202.11571), submitted to *Comput. Phys. Commun.* - (cepstral analysis) [Ercole, Marcolongo, Baroni, *Sci. Rep.* **7**, 15835 (2017)](https://doi.org/10.1038/s41598-017-15843-2) - (multicomponent systems) [Bertossa, Grasselli, Ercole, Baroni, *Phys. Rev. Lett.* **122**, 255901 (2019)](https://doi.org/10.1103/PhysRevLett.122.255901) ([arXiv](https://arxiv.org/abs/1808.03341)) - (review) [Baroni, Bertossa, Ercole, Grasselli, Marcolongo, *Handbook of Materials Modeling* (2018)](https://doi.org/10.1007/978-3-319-50257-1_12-1) ([arXiv](https://arxiv.org/abs/1802.08006)) @@ -31,25 +31,20 @@ It can execute most of the cepstral analysis routines, returning the results in See the [`examples/example_commandline_NaCl`](examples/example_commandline_NaCl/) folder and the help (`python analysis.py --help`) for more information. ### Requirements -#### python library and command line interface - numpy - scipy - matplotlib - -#### graphical user interface - - all the requirements of cepstral analysis - tkinter - markdown2 - pillow - - uncertainties ### Installation - You can simply pip-install sportran downloading it from PyPI with `pip install sportran`. + You can simply pip-install SporTran downloading it from PyPI with `pip install sportran`. Alternatively: - 1. Clone this repository: `git clone https://github.com/lorisercole/sportran.git` + 1. Clone this repository: `git clone https://github.com/sissaschool/sportran.git` 2. Install the package with pip (dependencies will be automatically downloaded). For example: ``` cd sportran @@ -57,7 +52,7 @@ pip install . ``` You are all set! You can check that the installation is working by trying to run the command `sportran-analysis`. - The Graphical User Interface will be installed and can be started with the command `sportran-gui`. + The Graphical User Interface can be started with the command `sportran-gui`. ### Issues - You are strongly encouraged to report any issue on the [official](https://github.com/lorisercole/sportran/issues) GitHub issues page. + You are strongly encouraged to report any issue on the [official](https://github.com/sissaschool/sportran/issues) GitHub issues page. diff --git a/setup.json b/setup.json index ee0bcf0..7b2eeaf 100644 --- a/setup.json +++ b/setup.json @@ -1,11 +1,11 @@ { "name": "sportran", - "version": "1.0.0a1", + "version": "1.0.0rc1", "author": "Loris Ercole, Riccardo Bertossa, Sebastiano Bisacchi", "author_email": "loris.ercole@epfl.ch", "description": "Cepstral Data Analysis of current time series for Green-Kubo transport coefficients", "license": "GPL 3", - "url": "https://github.com/lorisercole/sportran", + "url": "https://github.com/sissaschool/sportran", "keywords": "cepstral data analysis thermal conductivity transport coefficients physics green-kubo", "python_requires": ">=3.6.*, <4", "classifiers": [ diff --git a/sportran/__init__.py b/sportran/__init__.py index 6cda6c2..9e54d52 100644 --- a/sportran/__init__.py +++ b/sportran/__init__.py @@ -16,3 +16,12 @@ from . import i_o __all__ = [current.__all__ + md.__all__] + +__license__ = 'GPL-3.0 license, see LICENSE.txt file.' +__version__ = '1.0.0rc1' +__authors__ = 'Loris Ercole, Riccardo Bertossa, Sebastiano Bisacchi' +__paper__ = ( + 'L. Ercole, R. Bertossa, S. Bisacchi, S.Baroni, "SporTran: a code to estimate transport coefficients from the ' + 'cepstral analysis of (multivariate) current time series", arXiV:2202.11571 (2022), submitted to Computer' + 'Physics Communications, https://doi.org/10.48550/arXiv.2202.11571') +__paper_short__ = 'L. Ercole et al., arXiv:2202.117571 (2022)' diff --git a/sportran/analysis.py b/sportran/analysis.py index b824f19..ac703cf 100755 --- a/sportran/analysis.py +++ b/sportran/analysis.py @@ -91,7 +91,7 @@ def main(): - Bertossa, Grasselli, Ercole, Baroni, Phys. Rev. Lett. 122, 255901 (2019), https://doi.org/10.1103/PhysRevLett.122.255901 - Baroni, Bertossa, Ercole, Grasselli, Marcolongo, Handbook of Materials Modeling (2018), https://doi.org/10.1007/978-3-319-50257-1_12-1 - GitHub: https://github.com/lorisercole/sportran + GitHub: https://github.com/sissaschool/sportran Contact: loris.ercole@epfl.ch, rbertoss@sissa.it Acknowledgment diff --git a/sportran_gui/__init__.py b/sportran_gui/__init__.py index cebada5..d53814b 100644 --- a/sportran_gui/__init__.py +++ b/sportran_gui/__init__.py @@ -4,5 +4,8 @@ Sportran graphic user interface ========================================== -This is a GUI written in Tk, great for making fast experiments. The GUI can be called from the command line with `sportrain-gui` if this package is installed. +This is a GUI written in Tk, great for making fast experiments. The GUI can be called from the command line with +`sportrain-gui` if this package is installed. """ + +__version__ = '0.1.2'