From 47fd72b814c6e93b03d006d2109f4915ed3e1c4f Mon Sep 17 00:00:00 2001
From: Fabian Joswig <fjosw@users.noreply.github.com>
Date: Sun, 3 Nov 2024 16:57:20 +0100
Subject: [PATCH 1/6] [Build] Release workflow added. (#244)
---
.github/workflows/release.yml | 58 +++++++++++++++++++++++++++++++++++
1 file changed, 58 insertions(+)
create mode 100644 .github/workflows/release.yml
diff --git a/.github/workflows/release.yml b/.github/workflows/release.yml
new file mode 100644
index 00000000..2548255f
--- /dev/null
+++ b/.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
From c057ecffdae82594e0bd6fa75ecca372858a7f93 Mon Sep 17 00:00:00 2001
From: Fabian Joswig <fjosw@users.noreply.github.com>
Date: Sun, 3 Nov 2024 17:03:06 +0100
Subject: [PATCH 2/6] [Release] Updated changelog and bumped version
---
CHANGELOG.md | 8 ++++++++
pyerrors/version.py | 2 +-
2 files changed, 9 insertions(+), 1 deletion(-)
diff --git a/CHANGELOG.md b/CHANGELOG.md
index b59bb577..d019608c 100644
--- a/CHANGELOG.md
+++ b/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
diff --git a/pyerrors/version.py b/pyerrors/version.py
index 9b9dc340..930e2cd6 100644
--- a/pyerrors/version.py
+++ b/pyerrors/version.py
@@ -1 +1 @@
-__version__ = "2.13.0-dev"
+__version__ = "2.13.0"
From 0ce765a99d0bcd5f7ae04c4d97a792bf83bc92d9 Mon Sep 17 00:00:00 2001
From: Fabian Joswig <fjosw@users.noreply.github.com>
Date: Sun, 3 Nov 2024 17:07:29 +0100
Subject: [PATCH 3/6] [Version] Bumped version to 2.14.0-dev
---
pyerrors/version.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/pyerrors/version.py b/pyerrors/version.py
index 930e2cd6..941c31df 100644
--- a/pyerrors/version.py
+++ b/pyerrors/version.py
@@ -1 +1 @@
-__version__ = "2.13.0"
+__version__ = "2.14.0-dev"
From 30bfb55981f97b7c5e78c01b728b5f2277a74a25 Mon Sep 17 00:00:00 2001
From: Fabian Joswig <fjosw@users.noreply.github.com>
Date: Tue, 26 Nov 2024 17:52:27 +0100
Subject: [PATCH 4/6] [Feat] Provide derivatives for pow (#246)
* [Feat] Provide manual derivatives for __pow__
* [Feat] Also applied changes to rpow
* [Test] Another pow test added.
---
pyerrors/obs.py | 9 +++------
tests/obs_test.py | 12 ++++++++++++
2 files changed, 15 insertions(+), 6 deletions(-)
diff --git a/pyerrors/obs.py b/pyerrors/obs.py
index a1c2fd55..0caecfdc 100644
--- a/pyerrors/obs.py
+++ b/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])
diff --git a/tests/obs_test.py b/tests/obs_test.py
index 726ecffa..8b82213f 100644
--- a/tests/obs_test.py
+++ b/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
From b1448a2703c69c169e864945a5015337ec572a5b Mon Sep 17 00:00:00 2001
From: Justus Kuhlmann <82444481+jkuhl-uni@users.noreply.github.com>
Date: Thu, 5 Dec 2024 22:08:48 +0100
Subject: [PATCH 5/6] Fix plateaus in correlator (#247)
---
pyerrors/correlators.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/pyerrors/correlators.py b/pyerrors/correlators.py
index de1addfd..21a11533 100644
--- a/pyerrors/correlators.py
+++ b/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
From d9085081202076e08b12359bb0480f27b3b3b1cc Mon Sep 17 00:00:00 2001
From: Fabian Joswig <fjosw@users.noreply.github.com>
Date: Wed, 18 Dec 2024 13:00:06 +0100
Subject: [PATCH 6/6] [docs] Simplify README
---
README.md | 7 +------
1 file changed, 1 insertion(+), 6 deletions(-)
diff --git a/README.md b/README.md
index aa669ad5..7937da4d 100644
--- a/README.md
+++ b/README.md
@@ -1,4 +1,4 @@
-[](https://github.com/fjosw/pyerrors/actions/workflows/pytest.yml) [](https://www.python.org/downloads/) [](https://opensource.org/licenses/MIT) [](https://arxiv.org/abs/2209.14371) [](https://doi.org/10.1016/j.cpc.2023.108750)
+[](https://www.python.org/downloads/) [](https://opensource.org/licenses/MIT) [](https://arxiv.org/abs/2209.14371) [](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).