Merge pull request #616 from geodynamics/burnman-2.1

BurnMan 2.1

Author: bobmyhill

Readme.md

@@ -1,4 +1,4 @@
-[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.14165625.svg)](https://doi.org/10.5281/zenodo.14165625)
+[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.14238360.svg)](https://doi.org/10.5281/zenodo.14238360)
 [![DOI](https://joss.theoj.org/papers/10.21105/joss.05389/status.svg)](https://doi.org/10.21105/joss.05389)
 
 # BurnMan - a Python toolkit for planetary geophysics, geochemistry and thermodynamics
@@ -42,8 +42,8 @@ If you use BurnMan in your work, we ask that you cite the following publications
 
   - Myhill, R., Cottaar, S., Heister, T., Rose, I., Unterborn, C.,
     Dannberg, J., Gassmoeller, R. and Farla, R. (2024):
-    BurnMan v2.0.0 [Software]. Computational Infrastructure for Geodynamics. Zenodo.
-    https://doi.org/10.5281/zenodo.14165625
+    BurnMan v2.1.0 [Software]. Computational Infrastructure for Geodynamics. Zenodo.
+    https://doi.org/10.5281/zenodo.14238360
 
   - Cottaar S., Heister, T., Rose, I., and Unterborn, C., (2014). BurnMan: A
     lower mantle mineral physics toolkit, Geochemistry, Geophysics, and

burnman/__init__.py

@@ -179,8 +179,8 @@
 
   - Myhill, R., Cottaar, S., Heister, T., Rose, I., Unterborn, C.,
     Dannberg, J., Gassmoeller, R. and Farla, R. (2024):
-    BurnMan v2.0.0 [Software]. Computational Infrastructure for Geodynamics. Zenodo.
-    `(https://doi.org/10.5281/zenodo.14165625) <https://doi.org/10.5281/zenodo.14165625>`_
+    BurnMan v2.1.0 [Software]. Computational Infrastructure for Geodynamics. Zenodo.
+    `(https://doi.org/10.5281/zenodo.14238360) <https://doi.org/10.5281/zenodo.14238360>`_
 
   - Cottaar S., Heister, T., Rose, I., and Unterborn, C., (2014). BurnMan: A
     lower mantle mineral physics toolkit, Geochemistry, Geophysics, and

burnman/classes/polytope.py

@@ -11,19 +11,28 @@
 from scipy.spatial import Delaunay
 from scipy.special import comb
 from copy import copy
-import cdd as cdd_float
 
 from .material import cached_property
 
 from ..utils.math import independent_row_indices
 
 
+# Try to import pycddlib.
+# First, try separating the imports into float and
+# fractional, then fall back to only using the float
+# representation, and finally don't import anything
+# (limiting functionality)
 try:
+    cdd_float = importlib.import_module("cdd")
     cdd_fraction = importlib.import_module("cdd.gmp")
     cdd_gmp_loaded = True
 except ImportError:
-    cdd_fraction = importlib.import_module("cdd")
-    cdd_gmp_loaded = False
+    try:
+        cdd_float = importlib.import_module("cdd")
+        cdd_fraction = importlib.import_module("cdd")
+        cdd_gmp_loaded = False
+    except ImportError:
+        cdd_float = None
 
 
 class SimplexGrid(object):
@@ -140,6 +149,11 @@ def __init__(
             dependent endmembers are defined.
         :type independent_endmember_occupancies: numpy.array (2D) or None
         """
+        if cdd_float is None:
+            raise ImportError(
+                "You need to install pycddlib to create a MaterialPolytope object."
+            )
+
         if equalities.dtype != inequalities.dtype:
             raise Exception(
                 f"The equalities and inequalities arrays should have the same type ({equalities.dtype} != {inequalities.dtype})."

changelog.txt

@@ -1,5 +1,9 @@
 Changelog
 ---------
+Release v2.1.0 (November 28, 2024) includes
+  - New: Added MACAW and SPOCK Equations of State
+  - Changed: pycddlib returned to optional dependency as hard to install on Windows.
+
 Release v2.0.0 (November 14, 2024) includes
   - Compatibility with Python 3.12.
   - Compatibility with new versions of numpy (1.26.0), scipy (1.14.0),

docs/index.rst

@@ -35,8 +35,8 @@ If you use BurnMan in your work, we ask that you cite the following publications
 
  - Myhill, R., Cottaar, S., Heister, T., Rose, I., Unterborn, C.,
    Dannberg, J., Gassmoeller, R. and Farla, R. (2024):
-   BurnMan v2.0.0 [Software]. Computational Infrastructure for Geodynamics. Zenodo.
-   `(https://doi.org/10.5281/zenodo.14165625) <https://doi.org/10.5281/zenodo.14165625>`_
+   BurnMan v2.1.0 [Software]. Computational Infrastructure for Geodynamics. Zenodo.
+   `(https://doi.org/10.5281/zenodo.14238360) <https://doi.org/10.5281/zenodo.14238360>`_
 
  - Cottaar S., Heister, T., Rose, I., and Unterborn, C. (2014). BurnMan: A
    lower mantle mineral physics toolkit, Geochemistry, Geophysics, and

pyproject.toml

@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "burnman"
-version = "2.0.1a0"
+version = "2.1.1a"
 description = "A thermoelastic and thermodynamic toolkit for the Earth and planetary sciences"
 license = "GPL"
 authors = ["The BurnMan Team <[email protected]>",]
@@ -25,12 +25,15 @@ sympy = "^1.12"
 cvxpy = "^1.3"
 matplotlib = "^3.7"
 numba = "^0.59"
-pycddlib-standalone = "^3.0"
+pycddlib-standalone = {version = "^3.0", optional = true}
 
 [tool.poetry.dev-dependencies]
 ipython = "^8.5"
 numba = "^0.59"
 
+[tool.poetry.extras]
+dev = ["pycddlib-standalone"]
+
 [tool.poetry.group.dev.dependencies]
 black = "24.1.1"
 

test.sh

@@ -20,7 +20,7 @@ fi
 $PYTHON --version
 # Quietly install burnman in development mode
 echo "Installing BurnMan in development mode ..."
-$PYTHON -m pip install -q -e .
+$PYTHON -m pip install -q -e .[dev]
 echo ""
 
 echo "Dependency tree:"
@@ -30,6 +30,10 @@ pycddlib_version=`pip freeze | grep "pycddlib=" | awk -F"==" '{print $2}'`
 if [ ! -z "${pycddlib_version}" ]
 then echo "└── pycddlib [optional, installed: ${pycddlib_version}]"
 fi
+pycddlib_version=`pip freeze | grep "pycddlib-standalone=" | awk -F"==" '{print $2}'`
+if [ ! -z "${pycddlib_version}" ]
+then echo "└── pycddlib-standalone [optional, installed: ${pycddlib_version}]"
+fi
 echo ""
 
 # Quietly install optional modules after burnman