Moved 3D RBC stuff from GPU project to its own project

Author: brownbaerchen

.github/workflows/ci_pipeline.yml

@@ -94,6 +94,7 @@ jobs:
           - PinTSimE
           - RDC
           - Resilience
+          - RayleighBenard
           - SDC_showdown
           - Second_orderSDC
           - soft_failure

pySDC/projects/GPU/configs/base_config.py

@@ -8,7 +8,7 @@ def get_config(args):
     if name[:2] == 'GS':
         from pySDC.projects.GPU.configs.GS_configs import get_config as _get_config
     elif name[:5] == 'RBC3D':
-        from pySDC.projects.GPU.configs.RBC3D_configs import get_config as _get_config
+        from pySDC.projects.RayleighBenard.RBC3D_configs import get_config as _get_config
     elif name[:3] == 'RBC':
         from pySDC.projects.GPU.configs.RBC_configs import get_config as _get_config
     else:

pySDC/projects/GPU/configs/RBC3D_configs.py renamed to pySDC/projects/RayleighBenard/RBC3D_configs.py

@@ -7,7 +7,7 @@
 from mpi4py import MPI
 import matplotlib.pyplot as plt
 from pySDC.helpers.plot_helper import figsize_by_journal
-from pySDC.projects.GPU.analysis_scripts.RBC3D_plotting_utils import get_plotting_style, savefig
+from pySDC.projects.RayleighBenard.analysis_scripts.plotting_utils import get_plotting_style, savefig
 
 step_sizes = {
     'RBC3DG4R4Ra1e5': [8e-2, 4e-2, 2e-2, 1e-2, 5e-3],

pySDC/projects/GPU/analysis_scripts/RBC3D_order.py renamed to pySDC/projects/RayleighBenard/analysis_scripts/RBC3D_order.py

@@ -1,5 +1,9 @@
-from pySDC.projects.GPU.analysis_scripts.process_RBC3D_data import get_pySDC_data
-from pySDC.projects.GPU.analysis_scripts.RBC3D_plotting_utils import figsize_by_journal, get_plotting_style, savefig
+from pySDC.projects.RayleighBenard.analysis_scripts.process_RBC3D_data import get_pySDC_data
+from pySDC.projects.RayleighBenard.analysis_scripts.plotting_utils import (
+    figsize_by_journal,
+    get_plotting_style,
+    savefig,
+)
 import matplotlib.pyplot as plt
 
 

pySDC/projects/GPU/analysis_scripts/RBC3D_spectrum.py renamed to pySDC/projects/RayleighBenard/analysis_scripts/RBC3D_spectrum.py

@@ -3,7 +3,7 @@
 import numpy as np
 from scipy import integrate
 from pySDC.helpers.plot_helper import figsize_by_journal, setup_mpl
-from pySDC.projects.GPU.analysis_scripts.process_RBC3D_data import get_pySDC_data
+from pySDC.projects.RayleighBenard.analysis_scripts.process_RBC3D_data import get_pySDC_data
 
 setup_mpl()
 

pySDC/projects/GPU/analysis_scripts/plot_Nu.py renamed to pySDC/projects/RayleighBenard/analysis_scripts/plot_Nu.py

@@ -9,7 +9,7 @@
 import os
 
 
-def process_RBC3D_data(base_path='./data/RBC_time_averaged', plot=True, args=None, config=None):
+def process_RBC3D_data(base_path='./data/processed', plot=True, args=None, config=None):
     # prepare problem instance
     args = args if args else parse_args()
     comm = MPI.COMM_WORLD
@@ -204,7 +204,7 @@ def process_RBC3D_data(base_path='./data/RBC_time_averaged', plot=True, args=Non
     return path
 
 
-def get_pySDC_data(res=-1, dt=-1, config_name='RBC3DG4', base_path='data/RBC_time_averaged'):
+def get_pySDC_data(res=-1, dt=-1, config_name='RBC3DG4', base_path='data/processed'):
     path = f'{base_path}/{config_name}-res{res}-dt{dt:.0e}.pickle'
     with open(path, 'rb') as file:
         data = pickle.load(file)

pySDC/projects/GPU/analysis_scripts/RBC3D_plotting_utils.py renamed to pySDC/projects/RayleighBenard/analysis_scripts/plotting_utils.py

@@ -0,0 +1,17 @@
+---
+
+name: pySDC
+channels:
+  - conda-forge
+dependencies:
+  - numpy>=1.15.4
+  - scipy>=0.17.1
+  - matplotlib>=3.0
+  - dill>=0.2.6
+  - mpich
+  - mpi4py-fft>=2.0.2
+  - mpi4py>=3.0.0
+  - pip
+  - pip:
+    - qmat>=0.1.8
+    - pytest-isolate-mpi

pySDC/projects/GPU/analysis_scripts/process_RBC3D_data.py renamed to pySDC/projects/RayleighBenard/analysis_scripts/process_RBC3D_data.py

@@ -37,7 +37,7 @@ def generate_simulation_file(path, args=None):
 
 
 def generate_processed_file(path):
-    from pySDC.projects.GPU.analysis_scripts.process_RBC3D_data import process_RBC3D_data
+    from pySDC.projects.RayleighBenard.analysis_scripts.process_RBC3D_data import process_RBC3D_data
 
     args = get_args(path)
     config = get_config(args)
@@ -80,7 +80,7 @@ def test_processing(tmp_processed_data):
 
 
 def test_get_pySDC_data(tmp_processed_data, tmp_path):
-    from pySDC.projects.GPU.analysis_scripts.process_RBC3D_data import get_pySDC_data
+    from pySDC.projects.RayleighBenard.analysis_scripts.process_RBC3D_data import get_pySDC_data
 
     args = get_args(tmp_path)
     data = get_pySDC_data(res=args['res'], dt=args['dt'], config_name=args['config'], base_path=tmp_path)
@@ -90,7 +90,7 @@ def test_get_pySDC_data(tmp_processed_data, tmp_path):
 
 
 def test_Nu_interpolation():
-    from pySDC.projects.GPU.analysis_scripts.plot_Nu import interpolate_NuV_to_reference_times
+    from pySDC.projects.RayleighBenard.analysis_scripts.plot_Nu import interpolate_NuV_to_reference_times
     import numpy as np
 
     t = sorted(np.random.rand(128))
@@ -115,8 +115,8 @@ def _get_Nu(_t):
 
 
 def test_error_computation(tmp_sim_data, tmp_path):
-    from pySDC.projects.GPU.analysis_scripts.RBC3D_order import compute_errors, get_path
-    from pySDC.projects.GPU.configs.RBC3D_configs import RBC3DG4R4SDC34Ra1e5
+    from pySDC.projects.RayleighBenard.analysis_scripts.RBC3D_order import compute_errors, get_path
+    from pySDC.projects.RayleighBenard.RBC3D_configs import RBC3DG4R4SDC34Ra1e5
     import numpy as np
     import pickle