update version

Bjournaux · Bjournaux · commit d1c8ced369da · 2026-05-19T05:44:48.000-05:00
diff --git a/Matlab/README.md b/Matlab/README.md
@@ -1,6 +1,6 @@
 # SeaFreeze
 
-V1.1.0 (Matlab version)
+V1.1.1 (Matlab version)
 
 The SeaFreeze package computes thermodynamic and elastic properties of water, ice polymorphs (Ih, II, III, V, VI, VII and X) and aqueous NaCl solutions in the 0-100 GPa and 220-10000 K range, with the study of icy worlds and their oceans in mind. It is based on Gibbs Local Basis Function (LBF) parametrizations (https://github.com/jmichaelb/LocalBasisFunction) for each phase. The formalism is described in Brown (2018), Journaux et al. (2020), and in the liquid water Gibbs parametrization by Bollengier, Brown, and Shaw (2019).
 
@@ -27,7 +27,7 @@ addpath(genpath('/path/to/SeaFreeze/Matlab'))
 All spline data files ship inside `Matlab/splines/` — no extra downloads required. You can verify the install with:
 
 ```matlab
-SeaFreeze_version   % should print '1.1.0'
+SeaFreeze_version   % should print '1.1.1'
 ```
 
 ## Running SeaFreeze
@@ -196,7 +196,7 @@ out = SF_getprop({P,T,m}, 'NaClaq', {'rho','aw'});
 Return the current version string:
 ```matlab
 SeaFreeze_version
-% '1.1.0'
+% '1.1.1'
 ```
 
 ### `SF_WhichPhase`
diff --git a/Matlab/SF_WPD.m b/Matlab/SF_WPD.m
@@ -1,6 +1,6 @@
 function fig = SF_WPD(varargin)
 % SF_WPD  Draw the H2O Water Phase Diagram.
-% Version 1.1.0
+% Version 1.1.1
 % Baptiste Journaux - 2026
 %
 % Computes all phase boundaries dynamically from Gibbs energy splines
diff --git a/Matlab/SF_WhichPhase.m b/Matlab/SF_WhichPhase.m
@@ -1,5 +1,5 @@
 function out = SF_WhichPhase(PT, varargin)
-% Version 1.1.0
+% Version 1.1.1
 % Baptiste Journaux - 2026
 % Determine which supported phase is stable at given conditions.
 %
diff --git a/Matlab/SF_getprop.m b/Matlab/SF_getprop.m
@@ -1,5 +1,5 @@
 function out = SF_getprop(PT, material, props)
-% Version 1.1.0 ; Journaux et al. 2025
+% Version 1.1.1 ; Journaux et al. 2025
 % Baptiste Journaux - 2026
 % Calculate thermodynamic quantities for water or ice polymorphs
 % (Ih, II, III, V, VI, VII and X) and for aqueous NaCl solution.
diff --git a/Matlab/SeaFreeze_version.m b/Matlab/SeaFreeze_version.m
@@ -1,4 +1,4 @@
 function ver=SeaFreeze_version
 % show the current version of SeaFreeze
-    ver = '1.1.0';
+    ver = '1.1.1';
 end
diff --git a/Matlab/internal/SF_NaCl_stitch.m b/Matlab/internal/SF_NaCl_stitch.m
@@ -1,6 +1,6 @@
 function Results = SF_NaCl_stitch(spLP, spHP, PT, props)
 % SF_NaCl_stitch  Evaluate NaCl(aq) properties from stitched LP + HP splines.
-% Version 1.1.0 — Baptiste Journaux — 2026
+% Version 1.1.1 — Baptiste Journaux — 2026
 %
 % Stitches two complementary NaCl(aq) Gibbs splines that cover different P
 % ranges:
diff --git a/Python/MANIFEST.in b/Python/MANIFEST.in
@@ -1,4 +1,5 @@
 include LICENSE.txt
 recursive-include seafreeze/splines *.mat
+recursive-include seafreeze/figures *.png
 recursive-include mlbspline *.mat
 recursive-include lbftd *.mat
diff --git a/Python/README.md b/Python/README.md
@@ -1,6 +1,6 @@
 # SeaFreeze
 
-V1.1.0
+V1.1.1
 
 The SeaFreeze package allows to compute the thermodynamic and elastic properties of water and ice polymorphs (Ih, II, III, V, VI and ice VII/ice X) in the 0-100 GPa and 220-10000 K range, with the study of icy worlds and their ocean in mind. It is based on the evaluation of Gibbs Local Basis Functions parametrization (https://github.com/jmichaelb/LocalBasisFunction) for each phase. The formalism is described in more details in Brown (2018), Journaux et al. (2019), and in the liquid water Gibbs parametrization by Bollengier, Brown, and Shaw (2019). 
 
@@ -260,7 +260,7 @@ plt.tight_layout()
 plt.show()
 ```
 
-![Ice Ih melting curves with NaCl](seafreeze/figures/phase_Ih_melting_NaCl.png)
+![Ice Ih melting curves with NaCl](https://raw.githubusercontent.com/Bjournaux/SeaFreeze/master/Python/seafreeze/figures/phase_Ih_melting_NaCl.png)
 
 ### Example — Full pure-water phase diagram
 
@@ -281,7 +281,7 @@ plt.show()
 fig = wpd(show_meta=False, phase_labels=True, solute='NaCl', m=[0.5, 2.0, 4.0])
 ```
 
-![Full water phase diagram](seafreeze/figures/WPD_python.png)
+![Full water phase diagram](https://raw.githubusercontent.com/Bjournaux/SeaFreeze/master/Python/seafreeze/figures/WPD_python.png)
 
 ---
 
@@ -312,6 +312,7 @@ SeaFreeze stability prediction is currently considered valid down to 130K, which
 ## Change log
 
 ### Changes since 0.9.0
+- `1.1.1`: Added `matplotlib` to Python dependencies; removed `numpy<2` upper bound for NumPy 2.x compatibility.
 - `1.1.0`: added `seafreeze.phaselines` module — phase boundary computation (`phase_lines`, `phase_range`) and the full water phase diagram plotter (`wpd`); NaClaq melting curves for Ih, II, III, V, and VI; cross-validated against the Matlab SF_PhaseLines implementation to < 0.01 K. `getProp` output now matches Matlab `SF_getprop` exactly: added `Js`, `gamma_Gruneisen`, `P`/`T` echoes, NaClaq mixing properties (`m`, `xs`, `xw`, `f`, `Vw`); removed Python-only `V`, `gam`, `Gex` from default output; individual per-spline `.mat` files replace the monolithic spline archive.
 - `1.0`: added NaCl aqueous solution EOS and concentration dependent thermodynamic variables.
 - `0.9.4`: Adjusted python readme syntax and package authorship info
diff --git a/Python/mlbspline/eval.py b/Python/mlbspline/eval.py
@@ -30,7 +30,7 @@ def evalMultivarSpline(spd, x, der=None, allowExtrapolations=True):
                 if True (default), extrapolations will be calculated according to the
                 spline's coefficients at its boundaries.  Not recommended, but used as default to preserve behavior.
     :return:    a Numpy n-D array. If x is a ndarray, then output.shape == x.shape.
-                If x is a tuple, then output.shape == tuple(np.ones(len(x), np.int)).
+                If x is a tuple, then output.shape == tuple(np.ones(len(x), int)).
     """
     if der is None:
         der = []
diff --git a/Python/seafreeze/__init__.py b/Python/seafreeze/__init__.py
@@ -0,0 +1,7 @@
+from .seafreeze import getProp, whichphase, phasenum2phase, phases
+from .phaselines import phase_lines, phase_range, wpd
+
+__all__ = [
+    'getProp', 'whichphase', 'phasenum2phase', 'phases',
+    'phase_lines', 'phase_range', 'wpd',
+]
diff --git a/Python/setup.py b/Python/setup.py
@@ -6,7 +6,7 @@
 
 setuptools.setup(
     name='SeaFreeze',
-    version='1.1.0',
+    version='1.1.1',
     author='Baptiste Journaux',
     author_email='bjournau@uw.edu',
     description='Thermodynamic properties of the phases of H2O and NaCl (aq)',
@@ -21,11 +21,13 @@
         'License :: OSI Approved :: GNU General Public License v3 (GPLv3)',
         'Operating System :: OS Independent'
     ],
+    python_requires='>=3.11',
     include_package_data=True,
     install_requires=[
         'h5py >= 3.10',
         'hdf5storage >= 0.1.19',
-        'numpy >= 1.26.3, <2',
+        'matplotlib >= 3.8',
+        'numpy >= 1.26.3',
         'scipy >= 1.12',
         'psutil >= 5.9.8'
     ]
diff --git a/README.md b/README.md
@@ -4,7 +4,7 @@
 [![Twitter Follow](https://img.shields.io/twitter/follow/B_jour.svg?style=flat-square&logo=twitter&label=Follow)](https://twitter.com/B_jour)
 [![GitHub Follow](https://img.shields.io/github/followers/Bjournaux.svg?style=flat-square&logo=github&label=Follow)](https://github.com/Bjournaux)
 
-V1.1.0
+V1.1.1
 ![Logo](https://bjournaux.files.wordpress.com/2019/07/cover.002.png)
 
 
@@ -16,7 +16,7 @@ phase, constructed to reproduce thermodynamic measurements. The formalism is des
 Gibbs parametrization by [Bollengier, Brown, and Shaw (2019)](https://aip.scitation.org/doi/abs/10.1063/1.5097179). 
 Aqueous NaCl equation of state publication is in preparation.
 
-Both Python and Matlab versions are at 1.1.0.
+Both Python and Matlab versions are at 1.1.1.
 
 Contact: bjournau (at) uw (dot) edu
 
@@ -348,6 +348,7 @@ The following figure shows the prediction of phase transitions from SeaFreeze (m
 ## Change log
 
 ### Changes since 0.9.0
+- `1.1.1`: Added `matplotlib` to Python dependencies; removed `numpy<2` upper bound for NumPy 2.x compatibility.
 - `1.1.0`: New entry point `SF_getprop` (replaces `SeaFreeze`). Added `Js`, `gamma_Gruneisen` outputs. Removed `gam`, `Gex` outputs. Dynamic phase diagram `SF_WPD` replaces static WPD.mat. Rewritten `SF_PhaseLines` with 28 supported pairs including ice VII/X melting curves. Material name `aq_NaCl` renamed to `NaClaq`. No Curve Fitting Toolbox required.
 - `1.0.2`: Fixed output for phaseline now coherent with the rest of the code as (P,T), bug fix with ice II-VI transition
 - `1.0.1`: updated and improved  NaCl aqueous solution EOS and concentration dependent thermodynamic variables. Reasonable stability for conditions in ocean worlds including Earth's crust.  NaN returned for values outside the range of the representation.

Original file line number	Diff line number	Diff line change
`@@ -1,6 +1,6 @@`
`1`	`1`	`function fig = SF_WPD(varargin)`
`2`	`2`	`% SF_WPD Draw the H2O Water Phase Diagram.`
`3`		`-% Version 1.1.0`
	`3`	`+% Version 1.1.1`
`4`	`4`	`% Baptiste Journaux - 2026`
`5`	`5`	`%`
`6`	`6`	`% Computes all phase boundaries dynamically from Gibbs energy splines`
Original file line number	Diff line number	Diff line change
`@@ -1,5 +1,5 @@`
`1`	`1`	`function out = SF_WhichPhase(PT, varargin)`
`2`		`-% Version 1.1.0`
	`2`	`+% Version 1.1.1`
`3`	`3`	`% Baptiste Journaux - 2026`
`4`	`4`	`% Determine which supported phase is stable at given conditions.`
`5`	`5`	`%`
Original file line number	Diff line number	Diff line change
`@@ -1,6 +1,6 @@`
`1`	`1`	`function Results = SF_NaCl_stitch(spLP, spHP, PT, props)`
`2`	`2`	`% SF_NaCl_stitch Evaluate NaCl(aq) properties from stitched LP + HP splines.`
`3`		`-% Version 1.1.0 — Baptiste Journaux — 2026`
	`3`	`+% Version 1.1.1 — Baptiste Journaux — 2026`
`4`	`4`	`%`
`5`	`5`	`% Stitches two complementary NaCl(aq) Gibbs splines that cover different P`
`6`	`6`	`% ranges:`