Merge pull request #48 from deepanshs/djs/setup_builds

djs/Testing coverage over os/python

Author: deepanshs

.github/workflows/continuous-integration-pip.yml

@@ -65,6 +65,38 @@ jobs:
       - name: Upload coverage
         uses: codecov/codecov-action@v4.5.0
 
+  # test-windows:
+  #   needs: [code_lint]
+  #   runs-on: "windows-latest"
+  #   strategy:
+  #     matrix:
+  #       python-version: ["3.10", "3.11"]
+
+  #   steps:
+  #     - name: Checkout
+  #       uses: actions/checkout@v4
+
+  #     - name: Set up Python ${{ matrix.python-version }}
+  #       uses: actions/setup-python@v5
+  #       with:
+  #         python-version: ${{ matrix.python-version }}
+
+  #     - name: Install dependencies
+  #       run: |
+  #         C:\msys64\pacman -S mingw-w64-x86_64-openblas
+  #         python -m pip install --upgrade pip
+  #         pip install setuptools
+  #         pip install -r requirements-dev.txt
+
+  #     - name: Build and install package from source
+  #       run: python setup.py develop
+
+  #     - name: Test with pytest
+  #       run: pytest --cov=./ --cov-report=xml
+
+  #     - name: Upload coverage
+  #       uses: codecov/codecov-action@v4.5.0
+
   testing_mac_intel:
     needs: [code_lint]
     runs-on: "macos-13"

docs/index.rst

@@ -103,25 +103,16 @@ Getting Started
 ---------------
 
 .. toctree::
-    :maxdepth: 2
-    :caption: Installation
-
-    installation/install
-    installation/requirement
-
-
-User Documentation
-------------------
-
-.. toctree::
-    :maxdepth: 2
+    :maxdepth: 1
     :caption: User Documentation
 
+    installation/install
     introduction
     before_getting_started
     getting_started_lineshape
     getting_started_relaxation
 
+
 Examples
 --------
 

docs/installation/requirement.rst

@@ -10,7 +10,7 @@ The ``mrinversion`` library depends on the following packages:
 
 - `numpy<2.0 <https://www.numpy.org>`_
 - `csdmpy>=0.5 <https://csdmpy.readthedocs.io/en/stable/>`_
-- `mrsimulator>=0.6 <https://mrsimulator.readthedocs.io/en/stable/>`_ (for generating
+- `mrsimulator>=0.7 <https://mrsimulator.readthedocs.io/en/stable/>`_ (for generating
   the NMR line-shape)
 - `scikit-learn>=0.22.1 <https://scikit-learn.org/stable/>`_ (for statistical leaning methods)
 

mrinversion/kernel/base.py

@@ -2,7 +2,7 @@
 
 import csdmpy as cp
 import numpy as np
-from mrsimulator.methods import BlochDecaySpectrum
+from mrsimulator.method.lib import BlochDecaySpectrum
 
 from .utils import _x_y_to_zeta_eta_distribution
 

mrinversion/kernel/csa_aniso.py

@@ -2,7 +2,7 @@
 
 from mrsimulator import Simulator
 from mrsimulator import SpinSystem
-from mrsimulator.methods import BlochDecaySpectrum
+from mrsimulator.method.lib import BlochDecaySpectrum
 
 from mrinversion.kernel.base import LineShape
 

mrinversion/kernel/tests/shielding_lineshape_kernel_test.py

@@ -3,7 +3,7 @@
 from mrsimulator import Simulator
 from mrsimulator import Site
 from mrsimulator import SpinSystem
-from mrsimulator.methods import BlochDecaySpectrum
+from mrsimulator.method.lib import BlochDecaySpectrum
 
 from mrinversion.kernel.nmr import MAF
 from mrinversion.kernel.nmr import ShieldingPALineshape