Release SporTran v1.0.0rc1

First release candidate of Sportran 1.0.0

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))
@@ -31,33 +31,28 @@ 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
 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.

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": "[email protected]",
     "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": [

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)'

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:   [email protected], [email protected]
 
     Acknowledgment

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'