Merge pull request #599 from bobmyhill/update

Update files

.github/workflows/main.yml

@@ -13,9 +13,9 @@ jobs:
  python-versions: ['3.12']
 
  steps:
- - uses: actions/checkout@v2
+ - uses: actions/checkout@v4
  - name: Set up Python ${{ matrix.python-versions }}
- uses: actions/setup-python@v2
+ uses: actions/setup-python@v4
  with:
  python-version: ${{ matrix.python-versions }}
  - name: make indent
@@ -24,7 +24,7 @@ jobs:
  ./contrib/utilities/indent
  git diff > changes-astyle.diff
  - name: archive indent results
- uses: actions/upload-artifact@v2
+ uses: actions/upload-artifact@v4
  with:
  name: changes-astyle.diff
  path: changes-astyle.diff
@@ -41,9 +41,9 @@ jobs:
  python-versions: ['3.9', '3.10', '3.11', '3.12']
 
  steps:
- - uses: actions/checkout@v2
+ - uses: actions/checkout@v4
  - name: Set up Python ${{ matrix.python-versions }}
- uses: actions/setup-python@v2
+ uses: actions/setup-python@v4
  with:
  python-version: ${{ matrix.python-versions }}
  - name: setup
@@ -55,7 +55,7 @@ jobs:
  texlive \
  texlive-latex-extra
  python -m pip install --upgrade pip
- pip install pycddlib # this is optional
+ pip install pycddlib==2.1.7 # this is optional
  pip install autograd # this is optional
  python --version
  - name: test

.github/workflows/python-publish.yml

@@ -23,7 +23,7 @@ jobs:
  steps:
  - uses: actions/checkout@v4
  - name: Set up Python
- uses: actions/setup-python@v3
+ uses: actions/setup-python@v4
  with:
  python-version: '3.x'
  - name: Install dependencies

burnman/classes/material.py

@@ -293,9 +293,10 @@ def evaluate(self, vars_list, pressures, temperatures, molar_fractions=None):
 
  assert pressures.shape == temperatures.shape
 
+ first_index = list(np.ndenumerate(temperatures))[0][0]
  if molar_fractions is not None:
  molar_fractions = np.array(molar_fractions)
- self.set_composition(molar_fractions[0])
+ self.set_composition(molar_fractions[first_index])
  assert temperatures.shape == molar_fractions.shape[:-1]
 
  # First, check the output types of all the requested variables:

burnman/classes/seismic.py

@@ -333,7 +333,7 @@ def _compute_pressure(self):
  # convert radii to depths
  depth = self.earth_radius - radii
  pressure = scipy.integrate.cumulative_trapezoid(
- gravity * density, x=depth, initial=0.0
+ gravity * density, x=depth, initial=0
  )
 
  self.table_pressure = pressure

burnman/classes/solution.py

@@ -679,7 +679,8 @@ def compositional_null_basis(self):
  null_basis = np.array([v[:] for v in null])
 
  M = null_basis[:, self.dependent_element_indices]
- assert (M.shape[0] == M.shape[1]) and (M == np.eye(M.shape[0])).all()
+ assert M.shape[0] == M.shape[1]
+ assert (np.abs(M - np.eye(M.shape[0])) < 1.0e-20).all()
 
  return null_basis
 

test.sh

@@ -30,7 +30,7 @@ echo ""
 
 # Quietly install optional modules after burnman
 echo "Installing optional cvxpy, pycddlib, autograd and jupyter modules ..."
-$PYTHON -m pip install -q cvxpy pycddlib autograd jupyter
+$PYTHON -m pip install -q cvxpy pycddlib==2.1.7 autograd jupyter
 echo ""
 
 function testit {