MAGEMin v1.3.6 updated test routine

- updated tests to test local vs online lib version
Iddingsite · Jan 26, 2024 · 0a4106a · 0a4106a
2 parents ed3e4f5 + 0d9a389
commit 0a4106a
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diff --git a/EquilibriumPath_MAGEMin.mlx b/EquilibriumPath_MAGEMin.mlx
diff --git a/Install_MAGEMin.mlapp b/Install_MAGEMin.mlapp
diff --git a/MAGEMin_EquilibriumPath.mlx b/MAGEMin_EquilibriumPath.mlx
diff --git a/Makefile b/Makefile
diff --git a/PlotPseudosection.mlapp b/PlotPseudosection.mlapp
diff --git a/Project.toml b/Project.toml
@@ -11,6 +11,5 @@ Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"
 
 [compat]
 CEnum = "0.4"
-MAGEMin_jll = "1.3.1"
 ProgressMeter = "1"
 julia = "1.6"
diff --git a/README.md b/README.md
@@ -1,6 +1,5 @@
 
 [![Dev](https://img.shields.io/badge/docs-dev-blue.svg)](https://computationalthermodynamics.github.io/MAGEMin/index.html)
-[![DOI](https://zenodo.org/badge/449732854.svg)](https://zenodo.org/doi/10.5281/zenodo.8070923)
 
 <img src="./pics/GUI.png" alt="drawing" width="640" alt="centered image"/>
 
@@ -37,19 +36,20 @@ if you wish, you can also compile MAGEMin yourself, which requires you to instal
 - LAPACKE (C version of LAPACK)
 - NLopt (https://nlopt.readthedocs.io/)
 
-Details and guidelines are given in the extended documentation: https://computationalthermodynamics.github.io/MAGEMin/index.html
+Details and guidelines are given in the extended documentation: https://computationalthermodynamics.github.io/MAGEMin/index.html  
 
 In addition, we make use of [uthash](https://troydhanson.github.io/uthash/) and [ketopt](https://github.com/attractivechaos/klib/blob/master/ketopt.h).
 
 
 ## Available thermodynamic datasets
-The MAGEMin algorithm is general and can be used with any thermodynamic database that are hardcoded for speed reasons. Presently the igneous (Holland et al., 2018), the ultramafic (Evans & Frost, 2021), the metabasite (Green et al., 2016) and the metapelite (White et al., 2014) database are available.
+The MAGEMin algorithm is general and can be used with any thermodynamic database that are hardcoded for speed reasons. Presently the igneous (Holland et al., 2018) and the metapelite (White et al., 2014) database are available.
 
-**Igneous thermodynamic dataset**
 
-The hydrous mafic melting model of Holland et al. 2018 can be used to simulate the fractional crystallisation from a hydrous basalt to a felsic melt.
+**Igneous database**
 
-- Added May 2022, `MAGEMin v1.0.0`
+The hydrous mafic melting model of Holland et al. 2018 can be used to simulate the fractional crystallisation from a hydrous basalt to a felsic melt. 
+
+The details of this thermodynamic solid solution and endmember database are:
 - Holland et al., 2018 (see http://hpxeosandthermocalc.org)
 - K2O-Na2O-CaO-FeO-MgO-Al2O3-SiO2-H2O-TiO2-O-Cr2O3 chemical system
 - Equations of state for
@@ -69,29 +69,6 @@ The metapelitic model (extended with MnO, White et al., 2014) allows to compute
 	- Solution phases spinel (spn), biotite (bi), cordierite (cd), orthopyroxene (opx), epidote (ep), garnet (g),  ilmenite (ilm), silicate melt (liq), muscovite (mu),  ternary feldspar (pl4T), sapphirine (sa), staurolite (st), magnetite (mt), chlorite (chl), chloritoid (ctd) and margarite (ma).
 
 
-**Ultramafic thermodynamic dataset**
-
-THe ultramafic model allow to compute phase equilibrium in serpentinites
-
-- Added May 2023, `MAGEMin v1.3.2` 
-- Evans & Frost, 2021 (see http://hpxeosandthermocalc.org)
-- SiO2-Al2O3MgO-FeO-O-H2O-S chemical system
-- Equations of state for
-	- Pure stoichiometric phases quartz (q), cristobalite (crst), tridymite (trd), coesite (coe), stishovite (stv), kyanite (ky), sillimanite (sill), pyrite (pyr)
-	- Solution phases fluid (fluid), brucite (br), antigorite (atg), garnet (g), talc (t), chlorite (chl), spinel (spi), orthopyroxene (opx), pyrrhotite (po) and anthophylite (anth)
-
-**Metabasite thermodynamic dataset**
-
-- added October 2023, `MAGEMin v1.3.5`
-- Green et al., 2016 (see http://hpxeosandthermocalc.org)
-- K2O-Na2O-CaO-FeO-MgO-Al2O3-SiO2-H2O-TiO2-O chemical system
-- Equations of state for
-	- Pure stoichiometric phases quartz (q), cristobalite (crst), tridymite (trd), coesite (coe), stishovite (stv), kyanite (ky), sillimanite (sill), andalusite (and), rutile (ru) and sphene (sph). 
-	- Solution phases spinel (sp), biotite (bi), orthopyroxene (opx), epidote (ep), garnet (g), ilmenite (ilm), silicate melt (liq), muscovite (mu),  ternary feldspar (pl4T), chlorite (chl), Omphacite(omph) and Augite(aug).
-
-
-
-
 Please keep in mind that the datasets are only calibrated for a limited range of `P`,`T` and `bulk rock` conditions. If you go too far outside those ranges, `MAGEMin` (or most other thermodynamic software packages for that matter) may not converge or give bogus results. 
 Developing new, more widely applicable, thermodynamic datasets is a huge research topic, which will require funding to develop the models themselves, as well as to perform targeted experiments to calibrate those models.
 

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diff --git a/doc_raw/index.rst b/doc_raw/index.rst
@@ -10,7 +10,7 @@
 
 |
 
-**MAGEMin v1.3.5**
+**MAGEMin v1.3.6**
 ==================
 
 MAGEMin (Mineral Assemblage Gibbs Energy Minimization) is a parallel C library callable from any petrological/geodynamic tool. For a given set of pressure, temperature and bulk-rock composition MAGEMin uses a combination of linear programming, extended Partitioning Gibbs free Energy and gradient-based local minimization to compute the most stable mineral assemblage