qmat switch (#445)

* Some fixes for new numpy version

* Fix for Allen-Cahn project

* Update environment.yml

* TL: added qmat dependency in env files

* TL: corrected pyproject.toml

* TL: full qmat integration

* TL: adapted numpy2 changes

* TL: of course ...

* TL: fixing tests ...

* TL: fix projects dependencies

* TL: still adapting to numpy2

* TL: still fixing project tests ...

* TL: minor change to trigger CI

* TL: opening Pandora's box ...

* TL: ty linting

* TL: adding a note

* TL: corrected bugged reference data for parallelSDC_reloaded

* TL: trying stuff for parallelSDC tests

* TL: investigating

* TL: adapted to new qmat version

* TL: let's stop beeing stupid

* TL: ... starting now

* TL: checking hypothesis

* TL: RK sweeper based on qmat

* TL: oh, thanks black !

* TL: partial solution for parallelSDC tests

* TL: back to partial working version

* TL: trying another idea

* TL: trying this

* TL: no covering for (problematic) ploting function for parallelSDC

* TL: finalized qmat-switch with correct naming for core sub-packages

* TL: omg

* TL: minimum version for qmat dependencies

* TL: minor fixes

* Update collocation.py

* Update collocation.py

* Update sweeper.py

* TL: minor corrections following @pancetta's comments

---------

Co-authored-by: Thomas Baumann <[email protected]>
Co-authored-by: Robert Speck <[email protected]>

Author: 3 people

CONTRIBUTING.md

@@ -9,6 +9,11 @@ Others are specific conventions chosen for the pySDC library, that may follow Py
 Finally, while `pySDC` provides many base functionalities that implement classical flavors of SDC, it also allows problem-specific applications through Object-Oriented Programming (OOP) and the implementation of custom inherited classes.
 This follows a specific OOP framework, you can look at the page on [custom implementations](./docs/contrib/04_custom_implementations.md) for more details. Additional guideline are also given on how to [document the code](./docs/contrib/05_documenting_code.md) in `pySDC`.
 
+> 📣 Some core components (collocation matrix, $Q-\Delta$ coefficients, Lagrange barycentric interpolation) 
+> are implemented and developed in the [`qmat` companion package](https://github.com/Parallel-in-Time/qmat).
+> Checkout its own [contributing guide](https://qmat.readthedocs.io/en/latest/contributing.html)
+> to add any new coefficient / feature on this part.
+
 1. [GitHub Forks and Pull Requests](https://docs.github.com/en/pull-requests/collaborating-with-pull-requests/getting-started/about-collaborative-development-models)
 2. [Pull Requests Recommendations](./docs/contrib/01_pull_requests.md)
 3. [Continuous Integration](./docs/contrib/02_continuous_integration.md)

docs/contrib/06_new_project.md

@@ -25,6 +25,9 @@ channels:
   - defaults
 dependencies:
   - numpy
+  - pip
+  - pip:
+    - qmat>=0.1.8
 ```
 
 The list of dependencies can be extended as needed.

etc/environment-base.yml

@@ -11,3 +11,6 @@ dependencies:
   - sympy>=1.0
   - numba>=0.35
   - dill>=0.2.6
+  - pip
+  - pip:
+    - qmat>=0.1.8

etc/environment-cupy.yml

@@ -10,3 +10,6 @@ dependencies:
   - matplotlib>=3.0
   - dill>=0.2.6
   - cupy
+  - pip
+  - pip:
+    - qmat>=0.1.8

etc/environment-fenics.yml

@@ -11,3 +11,6 @@ dependencies:
   - dill>=0.2.6
   - fenics>=2019.1.0
   - mpi4py<=3.1.4
+  - pip
+  - pip:
+    - qmat>=0.1.8

etc/environment-mpi4py.yml

@@ -12,3 +12,6 @@ dependencies:
   - mpich
   - mpi4py-fft>=2.0.2
   - mpi4py>=3.0.0
+  - pip
+  - pip:
+    - qmat>=0.1.8

etc/environment-petsc.yml

@@ -12,3 +12,6 @@ dependencies:
   - mpich
   - petsc4py<3.20
   - mpi4py>=3.0.0
+  - pip
+  - pip:
+    - qmat>=0.1.8

etc/environment-postprocess.yml

@@ -18,3 +18,4 @@ dependencies:
     - sphinxemoji
     - m2r2
     - genbadge[all]
+    - qmat>=0.1.8

etc/environment-pytorch.yml

@@ -13,3 +13,6 @@ dependencies:
   - dill
   - mpich
   - mpi4py>=3.0.0
+  - pip
+  - pip:
+    - qmat>=0.1.8