Merge pull request #605 from bobmyhill/rm_ECOS_cvxpy

remove ECOS as default linear solver for cvxpy

burnman/classes/solution.py

@@ -164,6 +164,8 @@ def site_formula(self, precision=2):
         for i, site_occs in enumerate(self.site_occupancies):
             formula += "["
             for species, occ in site_occs.items():
+                if np.abs(occ) < 1.0e-12:
+                    occ = np.abs(occ)
                 formula += f"{species}{occ:0.{precision}f}"
             formula += split_empty[i + 1]
         return formula

burnman/optimize/linear_fitting.py

@@ -91,14 +91,13 @@ def weighted_constrained_least_squares(
 
     try:
         with warnings.catch_warnings(record=True) as w:
-            res = prob.solve(solver=cp.ECOS)
+            res = prob.solve()
             popt = np.array([x.value[i] for i in range(len(A.T))])
             warns.extend(w)
     except Exception:
-        print("ECOS Solver failed. Trying default solver.")
         try:
             with warnings.catch_warnings(record=True) as w:
-                res = prob.solve()
+                res = prob.solve(solver=cp.ECOS)
                 popt = np.array([x.value[i] for i in range(len(A.T))])
                 warns.extend(w)
         except Exception as e:

examples/example_fit_composition.py

@@ -136,7 +136,7 @@
     gt.set_composition(popt)
 
     print("\nSite formula:")
-    print(gt.site_formula(2))
+    print(gt.site_formula(precision=2))
 
     print(f"\nWeighted residual: {res:.3f}")
     """