Merge branch 'develop' into ci/add_python_3.14

.github/workflows/release.yml

@@ -0,0 +1,58 @@
+name: Release
+
+on:
+  workflow_dispatch:
+  release:
+    types: [published]
+
+jobs:
+  build:
+    name: Build sdist and wheel
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@v4
+      name: Checkout repository
+
+    - uses: actions/setup-python@v5
+      with:
+        python-version: "3.12"
+
+    - name: Install pypa/build
+      run: >-
+        python3 -m
+        pip install
+        build
+        --user
+
+    - name: Build wheel and source tarball
+      run: python3 -m build
+
+    - name: Upload artifacts
+      uses: actions/upload-artifact@v4
+      with:
+        name: python-package-distributions
+        path: dist/
+        if-no-files-found: error
+
+  publish:
+    needs: [build]
+    name: Upload to PyPI
+    runs-on: ubuntu-latest
+    environment:
+      name: pypi
+      url: https://pypi.org/p/pyerrors
+    permissions:
+      id-token: write
+
+    steps:
+      - name: Download artifacts
+        uses: actions/download-artifact@v4
+        with:
+          name: python-package-distributions
+          path: dist/
+
+      - name: Sanity check
+        run: ls -la dist/
+
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1

CHANGELOG.md

@@ -2,6 +2,14 @@
 
 All notable changes to this project will be documented in this file.
 
+## [2.13.0] - 2024-11-03
+
+### Added
+- Allow providing lower triangular matrix constructed from a Cholesky decomposition in least squares function for correlated fits.
+
+### Fixed
+- Corrected bug that prevented combined fits with multiple x-obs in some cases.
+
 ## [2.12.0] - 2024-08-22
 
 ### Changed

README.md

@@ -1,4 +1,4 @@
-[![pytest](https://github.com/fjosw/pyerrors/actions/workflows/pytest.yml/badge.svg)](https://github.com/fjosw/pyerrors/actions/workflows/pytest.yml) [![](https://img.shields.io/badge/python-3.9+-blue.svg)](https://www.python.org/downloads/) [![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT) [![arXiv](https://img.shields.io/badge/arXiv-2209.14371-b31b1b.svg)](https://arxiv.org/abs/2209.14371) [![DOI](https://img.shields.io/badge/DOI-10.1016%2Fj.cpc.2023.108750-blue)](https://doi.org/10.1016/j.cpc.2023.108750)
+[![](https://img.shields.io/badge/python-3.9+-blue.svg)](https://www.python.org/downloads/) [![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT) [![arXiv](https://img.shields.io/badge/arXiv-2209.14371-b31b1b.svg)](https://arxiv.org/abs/2209.14371) [![DOI](https://img.shields.io/badge/DOI-10.1016%2Fj.cpc.2023.108750-blue)](https://doi.org/10.1016/j.cpc.2023.108750)
 # pyerrors
 `pyerrors` is a python framework for error computation and propagation of Markov chain Monte Carlo data from lattice field theory and statistical mechanics simulations.
 
@@ -14,11 +14,6 @@ Install the most recent release using pip and [pypi](https://pypi.org/project/py
 python -m pip install pyerrors     # Fresh install
 python -m pip install -U pyerrors  # Update
 ```
-Install the most recent release using conda and [conda-forge](https://anaconda.org/conda-forge/pyerrors):
-```bash
-conda install -c conda-forge pyerrors  # Fresh install
-conda update -c conda-forge pyerrors   # Update
-```
 
 ## Contributing
 We appreciate all contributions to the code, the documentation and the examples. If you want to get involved please have a look at our [contribution guideline](https://github.com/fjosw/pyerrors/blob/develop/CONTRIBUTING.md).

pyerrors/correlators.py

@@ -862,7 +862,7 @@ class Corr:
             raise Exception("prange must be a list or array with two values")
         if not ((isinstance(prange[0], int)) and (isinstance(prange[1], int))):
             raise Exception("Start and end point must be integers")
-        if not (0 <= prange[0] <= self.T and 0 <= prange[1] <= self.T and prange[0] < prange[1]):
+        if not (0 <= prange[0] <= self.T and 0 <= prange[1] <= self.T and prange[0] <= prange[1]):
             raise Exception("Start and end point must define a range in the interval 0,T")
 
         self.prange = prange

pyerrors/obs.py

@@ -856,15 +856,12 @@ class Obs:
 
     def __pow__(self, y):
         if isinstance(y, Obs):
-            return derived_observable(lambda x: x[0] ** x[1], [self, y])
+            return derived_observable(lambda x, **kwargs: x[0] ** x[1], [self, y], man_grad=[y.value * self.value ** (y.value - 1), self.value ** y.value * np.log(self.value)])
         else:
-            return derived_observable(lambda x: x[0] ** y, [self])
+            return derived_observable(lambda x, **kwargs: x[0] ** y, [self], man_grad=[y * self.value ** (y - 1)])
 
     def __rpow__(self, y):
-        if isinstance(y, Obs):
-            return derived_observable(lambda x: x[0] ** x[1], [y, self])
-        else:
-            return derived_observable(lambda x: y ** x[0], [self])
+        return derived_observable(lambda x, **kwargs: y ** x[0], [self], man_grad=[y ** self.value * np.log(y)])
 
     def __abs__(self):
         return derived_observable(lambda x: anp.abs(x[0]), [self])

pyerrors/version.py

@@ -1 +1 @@
-__version__ = "2.13.0-dev"
+__version__ = "2.14.0-dev"

tests/obs_test.py

@@ -461,6 +461,18 @@ def test_cobs_overloading():
     obs / cobs
 
 
+def test_pow():
+    data = [1, 2.341, pe.pseudo_Obs(4.8, 0.48, "test_obs"), pe.cov_Obs(1.1, 0.3 ** 2, "test_cov_obs")]
+
+    for d in data:
+        assert d * d == d ** 2
+        assert d * d * d == d ** 3
+
+        for d2 in data:
+            assert np.log(d ** d2) == d2 * np.log(d)
+            assert (d ** d2) ** (1 / d2) == d
+
+
 def test_reweighting():
     my_obs = pe.Obs([np.random.rand(1000)], ['t'])
     assert not my_obs.reweighted