struphy 2.4.4__tar.gz → 2.4.5__tar.gz

{struphy-2.4.4/src/struphy.egg-info → struphy-2.4.5}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: struphy
-Version: 2.4.4
+Version: 2.4.5
 Summary: Multi-model plasma physics package
 Author: Max Planck Institute for Plasma Physics
 Author-email: stefan.possanner@ipp.mpg.de, eric.sonnendruecker@ipp.mpg.de
@@ -30,29 +30,29 @@ Classifier: Programming Language :: Python :: 3
 Requires-Python: >=3.10
 Description-Content-Type: text/markdown
 License-File: LICENSE
-Requires-Dist: numpy<=2.2.2
-Requires-Dist: pyccel<=1.12.1,>=1.11.1
-Requires-Dist: mpi4py<=4.0.3
-Requires-Dist: scipy<=1.15.2
+Requires-Dist: numpy<=2.2.5
+Requires-Dist: pyccel<=2.0.1,>=2.0
+Requires-Dist: mpi4py<=4.1.0
+Requires-Dist: scipy<=1.15.3
 Requires-Dist: h5py<=3.13.0
-Requires-Dist: matplotlib<=3.10.1
+Requires-Dist: matplotlib<=3.10.3
 Requires-Dist: pyyaml<=6.0.2
-Requires-Dist: vtk<=9.4.2
+Requires-Dist: vtk<=9.5.0
 Requires-Dist: tqdm<=4.67.1
 Requires-Dist: argcomplete<=3.6.2
-Requires-Dist: pytest<=8.3.5
+Requires-Dist: pytest<=8.4.1
 Requires-Dist: pytest-mpi<=0.6
 Provides-Extra: phys
-Requires-Dist: gvec-to-python<=1.2.2; extra == "phys"
-Requires-Dist: desc-opt<=0.14.1; extra == "phys"
+Requires-Dist: gvec<=1.1.0,>=1.1.0; extra == "phys"
+Requires-Dist: desc-opt<=0.14.2; extra == "phys"
 Provides-Extra: dev
-Requires-Dist: notebook<=7.4.1; extra == "dev"
+Requires-Dist: notebook<=7.4.3; extra == "dev"
 Requires-Dist: autopep8<=2.3.2; extra == "dev"
 Requires-Dist: isort<=6.0.1; extra == "dev"
-Requires-Dist: flake8<=7.2.0; extra == "dev"
-Requires-Dist: pylint<=3.3.6; extra == "dev"
-Requires-Dist: add-trailing-comma<=3.1.0; extra == "dev"
-Requires-Dist: ruff<=0.11.6,>=0.9.1; extra == "dev"
+Requires-Dist: flake8<=7.3.0; extra == "dev"
+Requires-Dist: pylint<=3.3.7; extra == "dev"
+Requires-Dist: add-trailing-comma<=3.2.0; extra == "dev"
+Requires-Dist: ruff<=0.12.1,>=0.9.1; extra == "dev"
 Requires-Dist: pre-commit<=4.2.0; extra == "dev"
 Requires-Dist: nbstripout<=0.8.1; extra == "dev"
 Requires-Dist: tabulate<=0.9.0; extra == "dev"

{struphy-2.4.4 → struphy-2.4.5}/pyproject.toml

@@ -6,7 +6,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "struphy"
-version = "2.4.4"
+version = "2.4.5"
 readme = "README.md"
 requires-python = ">=3.10"
 authors = [
@@ -22,17 +22,17 @@ classifiers = [
     "Programming Language :: Python :: 3",
 ]
 dependencies = [
-    "numpy<=2.2.2",
-    "pyccel<=1.12.1, >=1.11.1",
-    "mpi4py<=4.0.3",
-    "scipy<=1.15.2",
+    "numpy<=2.2.5",
+    "pyccel<=2.0.1, >=2.0",
+    "mpi4py<=4.1.0",
+    "scipy<=1.15.3",
     "h5py<=3.13.0",
-    "matplotlib<=3.10.1",
+    "matplotlib<=3.10.3",
     "pyyaml<=6.0.2",
-    "vtk<=9.4.2",
+    "vtk<=9.5.0",
     "tqdm<=4.67.1",
     "argcomplete<=3.6.2",
-    "pytest<=8.3.5",
+    "pytest<=8.4.1",
     "pytest-mpi<=0.6",
 ]
 
@@ -41,17 +41,17 @@ file = "LICENSE"
 
 [project.optional-dependencies]
 phys = [
-    "gvec-to-python<=1.2.2",
-    "desc-opt<=0.14.1",
+    "gvec<=1.1.0, >=1.1.0",
+    "desc-opt<=0.14.2",
 ]
 dev = [
-    "notebook<=7.4.1",
+    "notebook<=7.4.3",
     "autopep8<=2.3.2",
     "isort<=6.0.1",
-    "flake8<=7.2.0",
-    "pylint<=3.3.6",
-    "add-trailing-comma<=3.1.0",
-    "ruff<=0.11.6, >=0.9.1",
+    "flake8<=7.3.0",
+    "pylint<=3.3.7",
+    "add-trailing-comma<=3.2.0",
+    "ruff<=0.12.1, >=0.9.1",
     "pre-commit<=4.2.0",
     "nbstripout<=0.8.1",
     "tabulate<=0.9.0",
@@ -100,12 +100,13 @@ kinetic-diagnostics = "struphy.diagnostics.console_diagn:main"
     "data/*.high",
 ]
 "struphy.fields_background.mhd_equil.gvec" = [
-    "ellipstell_v2/newBC_E1D6_M6N6/*.dat",
-    "ellipstell_v2/newBC_E1D6_M6N6/*.ini",
-    "ellipstell_v2/newBC_E4D6_M6N6/*.dat",
-    "ellipstell_v2/newBC_E4D6_M6N6/*.ini",
-    "ellipstell_v2/oldBC_E40D5M6N6/*.dat",
-    "ellipstell_v2/oldBC_E40D5M6N6/*.ini",
+    "run_01/*.dat",
+    "run_01/*.ini",
+    "run_02/*.dat",
+    "run_02/*.ini",
+    "run_03/*.dat",
+    "run_03/*.ini",
+    "run_03/*.nc",
 ]
 "struphy.io" = [
     "batch/*.sh",
@@ -119,7 +120,7 @@ kinetic-diagnostics = "struphy.diagnostics.console_diagn:main"
 ]
 struphy = [
     "compile_struphy.mk",
-    "psydac-2.4.4.dev0-py3-none-any.whl",
+    "psydac-2.4.5.dev0-py3-none-any.whl",
 ]
 
 [tool.autopep8]

{struphy-2.4.4 → struphy-2.4.5}/src/struphy/bsplines/bsplines_kernels.py

@@ -4,12 +4,14 @@
 Basic functions for point-wise B-spline evaluation
 """
 
+from typing import Final
+
 from numpy import empty, zeros
 from pyccel.decorators import pure, stack_array
 
 
 @pure
-def scaling(t_d: "float[:]", p_d: "int", span_d: "int", values: "float[:]"):
+def scaling(t_d: "Final[float[:]]", p_d: "int", span_d: "int", values: "float[:]"):
     """
     Scaling coefficients for M-splines.
 
@@ -34,7 +36,7 @@ def scaling(t_d: "float[:]", p_d: "int", span_d: "int", values: "float[:]"):
 
 
 @pure
-def find_span(t: "float[:]", p: "int", eta: "float") -> "int":
+def find_span(t: "Final[float[:]]", p: "int", eta: "float") -> "int":
     """
     Computes the knot span index i for which the B-splines i-p until i are non-vanishing at point eta.
 
@@ -81,7 +83,7 @@ def find_span(t: "float[:]", p: "int", eta: "float") -> "int":
 
 @pure
 def basis_funs(
-    t: "float[:]", p: "int", eta: "float", span: "int", left: "float[:]", right: "float[:]", values: "float[:]"
+    t: "Final[float[:]]", p: "int", eta: "float", span: "int", left: "float[:]", right: "float[:]", values: "float[:]"
 ):
     """
     Parameters
@@ -185,7 +187,7 @@ def basis_funs_all(
 
 @pure
 def basis_funs_all_ders(
-    knots: "float[:]",
+    knots: "Final[float[:]]",
     degree: int,
     eta: float,
     span: int,
@@ -593,7 +595,7 @@ def basis_funs_and_der(
 @pure
 @stack_array("values_b")
 def basis_funs_1st_der(
-    t: "float[:]", p: "int", eta: "float", span: "int", left: "float[:]", right: "float[:]", values: "float[:]"
+    t: "Final[float[:]]", p: "int", eta: "float", span: "int", left: "float[:]", right: "float[:]", values: "float[:]"
 ):
     """
     Parameters
@@ -778,7 +780,7 @@ def piecewise_der(p: "int", delta: "float", eta: "float") -> "float":
 
 @pure
 @stack_array("values_stored", "values_temp", "w")
-def convolution(p: "int", grids: "float[:]", eta: "float") -> "float":
+def convolution(p: "int", grids: "Final[float[:]]", eta: "float") -> "float":
     r"""
     evaluate a hat function (B-spline) at eta, i.e.
 
@@ -831,7 +833,7 @@ def convolution(p: "int", grids: "float[:]", eta: "float") -> "float":
 
 @pure
 @stack_array("values_stored", "values_temp", "w")
-def convolution_der(p: "int", grids: "float[:]", eta: "float") -> "float":
+def convolution_der(p: "int", grids: "Final[float[:]]", eta: "float") -> "float":
     r"""
     evaluate the derivative of a hat function (B-spline) at eta, i.e.
 

{struphy-2.4.4 → struphy-2.4.5}/src/struphy/bsplines/evaluation_kernels_1d.py

@@ -13,6 +13,8 @@ Possible combinations for tensor product (B):
 * (dN/deta)
 """
 
+from typing import Final
+
 from numpy import empty, zeros
 from pyccel.decorators import pure, stack_array
 
@@ -21,7 +23,7 @@ import struphy.bsplines.bsplines_kernels as bsplines_kernels
 
 # =============================================================================
 @pure
-def evaluation_kernel_1d(p1: int, basis1: "float[:]", ind1: "int[:]", coeff: "float[:]") -> float:
+def evaluation_kernel_1d(p1: int, basis1: "Final[float[:]]", ind1: "Final[int[:]]", coeff: "Final[float[:]]") -> float:
     """
     Summing non-zero contributions.
 
@@ -58,7 +60,9 @@ def evaluation_kernel_1d(p1: int, basis1: "float[:]", ind1: "int[:]", coeff: "fl
 # =============================================================================
 @pure
 @stack_array("tmp1", "tmp2")
-def evaluate(kind1: int, t1: "float[:]", p1: int, ind1: "int[:,:]", coeff: "float[:]", eta1: float) -> float:
+def evaluate(
+    kind1: int, t1: "Final[float[:]]", p1: int, ind1: "Final[int[:,:]]", coeff: "Final[float[:]]", eta1: float
+) -> float:
     """
     Point-wise evaluation of a spline.
 
@@ -123,7 +127,13 @@ def evaluate(kind1: int, t1: "float[:]", p1: int, ind1: "int[:,:]", coeff: "floa
 # =============================================================================
 @pure
 def evaluate_vector(
-    t1: "float[:]", p1: int, ind1: "int[:,:]", coeff: "float[:]", eta1: "float[:]", spline_values: "float[:]", kind: int
+    t1: "Final[float[:]]",
+    p1: int,
+    ind1: "Final[int[:,:]]",
+    coeff: "Final[float[:]]",
+    eta1: "float[:]",
+    spline_values: "float[:]",
+    kind: int,
 ):
     """
     Vector evaluation of a uni-variate spline.

{struphy-2.4.4 → struphy-2.4.5}/src/struphy/bsplines/evaluation_kernels_2d.py

@@ -16,6 +16,8 @@ Possible combinations for tensor product (BB):
 * (N dN/deta)
 """
 
+from typing import Final
+
 from numpy import empty, zeros
 from pyccel.decorators import pure, stack_array
 
@@ -24,7 +26,13 @@ import struphy.bsplines.bsplines_kernels as bsplines_kernels
 
 @pure
 def evaluation_kernel_2d(
-    p1: int, p2: int, basis1: "float[:]", basis2: "float[:]", ind1: "int[:]", ind2: "int[:]", coeff: "float[:,:]"
+    p1: int,
+    p2: int,
+    basis1: "Final[float[:]]",
+    basis2: "Final[float[:]]",
+    ind1: "Final[int[:]]",
+    ind2: "Final[int[:]]",
+    coeff: "Final[float[:,:]]",
 ) -> float:
     """
     Summing non-zero contributions of a spline function.
@@ -66,13 +74,13 @@ def evaluation_kernel_2d(
 def evaluate_2d(
     kind1: int,
     kind2: int,
-    t1: "float[:]",
-    t2: "float[:]",
+    t1: "Final[float[:]]",
+    t2: "Final[float[:]]",
     p1: int,
     p2: int,
-    ind1: "int[:,:]",
-    ind2: "int[:,:]",
-    coeff: "float[:,:]",
+    ind1: "Final[int[:,:]]",
+    ind2: "Final[int[:,:]]",
+    coeff: "Final[float[:,:]]",
     eta1: float,
     eta2: float,
 ) -> float:
@@ -158,15 +166,15 @@ def evaluate_2d(
 
 @pure
 def evaluate_tensor_product_2d(
-    t1: "float[:]",
-    t2: "float[:]",
+    t1: "Final[float[:]]",
+    t2: "Final[float[:]]",
     p1: int,
     p2: int,
     ind1: "int[:,:]",
     ind2: "int[:,:]",
-    coeff: "float[:,:]",
-    eta1: "float[:]",
-    eta2: "float[:]",
+    coeff: "Final[float[:,:]]",
+    eta1: "Final[float[:]]",
+    eta2: "Final[float[:]]",
     spline_values: "float[:,:]",
     kind: int,
 ):
@@ -230,15 +238,15 @@ def evaluate_tensor_product_2d(
 
 @pure
 def evaluate_matrix_2d(
-    t1: "float[:]",
-    t2: "float[:]",
+    t1: "Final[float[:]]",
+    t2: "Final[float[:]]",
     p1: int,
     p2: int,
     ind1: "int[:,:]",
     ind2: "int[:,:]",
-    coeff: "float[:,:]",
-    eta1: "float[:,:]",
-    eta2: "float[:,:]",
+    coeff: "Final[float[:,:]]",
+    eta1: "Final[float[:,:]]",
+    eta2: "Final[float[:,:]]",
     spline_values: "float[:,:]",
     kind: int,
 ):
@@ -307,15 +315,15 @@ def evaluate_matrix_2d(
 
 @pure
 def evaluate_sparse_2d(
-    t1: "float[:]",
-    t2: "float[:]",
+    t1: "Final[float[:]]",
+    t2: "Final[float[:]]",
     p1: int,
     p2: int,
     ind1: "int[:,:]",
     ind2: "int[:,:]",
-    coeff: "float[:,:]",
-    eta1: "float[:,:]",
-    eta2: "float[:,:]",
+    coeff: "Final[float[:,:]]",
+    eta1: "Final[float[:,:]]",
+    eta2: "Final[float[:,:]]",
     spline_values: "float[:,:]",
     kind: int,
 ):
@@ -386,13 +394,13 @@ def evaluate_sparse_2d(
 def eval_spline_mpi_2d(
     p1: "int",
     p2: "int",
-    basis1: "float[:]",
-    basis2: "float[:]",
+    basis1: "Final[float[:]]",
+    basis2: "Final[float[:]]",
     span1: "int",
     span2: "int",
-    coeff: "float[:,:]",
-    starts: "int[:]",
-    pn: "int[:]",
+    coeff: "Final[float[:,:]]",
+    starts: "Final[int[:]]",
+    pn: "Final[int[:]]",
 ) -> float:
     """
     Evaluate a spline function on the current process.

{struphy-2.4.4 → struphy-2.4.5}/src/struphy/bsplines/shapefunc_kernels.py

@@ -4,6 +4,8 @@
 Basic functions for point-wise B-spline evaluation
 """
 
+from typing import Final
+
 from numpy import empty, zeros
 from pyccel.decorators import pure, stack_array
 
@@ -108,7 +110,7 @@ def piecewise_der(p: "int", delta: "float", eta: "float") -> "float":
 
 # ========================================================================================
 @pure
-def convolution(p: "int", grids: "float[:]", eta: "float") -> "float":
+def convolution(p: "int", grids: "Final[float[:]]", eta: "float") -> "float":
     r"""
     evaluate a hat function (B-spline) at eta, i.e.
 
@@ -159,7 +161,7 @@ def convolution(p: "int", grids: "float[:]", eta: "float") -> "float":
 
 # ========================================================================================
 @pure
-def convolution_der(p: "int", grids: "float[:]", eta: "float") -> "float":
+def convolution_der(p: "int", grids: "Final[float[:]]", eta: "float") -> "float":
     r"""
     evaluate the derivative of a hat function (B-spline) at eta, i.e.
 

{struphy-2.4.4 → struphy-2.4.5}/src/struphy/bsplines/tests/test_bsplines_kernels.py

@@ -143,16 +143,16 @@ def test_bsplines_span_and_basis(Nel, p, spl_kind):
     # struphy d_splines_slim
     span1s, span2s, span3s = [], [], []
     for eta1, eta2, eta3 in zip(eta1s, eta2s, eta3s):
-        span1s += [bsp.find_span(td1, derham.p[0] - 1, eta1)]
-        span2s += [bsp.find_span(td2, derham.p[1] - 1, eta2)]
-        span3s += [bsp.find_span(td3, derham.p[2] - 1, eta3)]
+        span1s += [bsp.find_span(td1, derham.p[0], eta1)]
+        span2s += [bsp.find_span(td2, derham.p[1], eta2)]
+        span3s += [bsp.find_span(td3, derham.p[2], eta3)]
 
     val1s, val2s, val3s = [], [], []
     t0 = time.time()
     for eta1, eta2, eta3, span1, span2, span3 in zip(eta1s, eta2s, eta3s, span1s, span2s, span3s):
-        bsp.d_splines_slim(td1, derham.p[0] - 1, eta1, span1, bd1)
-        bsp.d_splines_slim(td2, derham.p[1] - 1, eta2, span2, bd2)
-        bsp.d_splines_slim(td3, derham.p[2] - 1, eta3, span3, bd3)
+        bsp.d_splines_slim(td1, derham.p[0], eta1, span1, bd1)
+        bsp.d_splines_slim(td2, derham.p[1], eta2, span2, bd2)
+        bsp.d_splines_slim(td3, derham.p[2], eta3, span3, bd3)
         val1s += [bd1]
         val2s += [bd2]
         val3s += [bd3]

{struphy-2.4.4 → struphy-2.4.5}/src/struphy/compile_struphy.mk

@@ -9,7 +9,7 @@ struphy_path := $(shell $(PYTHON) -c "import struphy as _; print(_.__path__[0])"
 
 # Arguments to this script are: 
 STRUPHY_SOURCES := $(sources)
-FLAGS := --libdir $(LIBDIR) $(flags) 
+FLAGS := --libdir $(LIBDIR) $(flags) #--debug
 FLAGS_openmp_pic := $(flags_openmp_pic)
 FLAGS_openmp_mhd := $(flags_openmp_mhd)
 
@@ -35,17 +35,18 @@ all: $(OUTPUTS)
 	@for dep in $^ ; do \
 		echo $$dep ; \
     done
-	pyccel $(FLAGS)$(FLAGS_openmp_pic)$(FLAGS_openmp_mhd) $<
+	pyccel $(FLAGS) $(FLAGS_openmp_pic) $(FLAGS_openmp_mhd) $<
 	@echo ""
 
 #--------------------------------------
 # CLEAN UP
 #--------------------------------------
+# find $(struphy_path)/ -type d -name '__pyccel__' -prune -exec rm -rf {} \;
+# find $(struphy_path)/ -type d -name '__pycache__' -prune -exec rm -rf {} \;
+# find $(struphy_path)/ -type f -name '*.lock' -delete
 
 .PHONY: clean
 clean:
 	rm -rf $(OUTPUTS)
-    
-	find $(struphy_path)/ -type d -name '__pyccel__' -prune -exec rm -rf {} \;
-	find $(struphy_path)/ -type d -name '__pycache__' -prune -exec rm -rf {} \;
-	find $(struphy_path)/ -type f -name '*.lock' -delete
+	find $(struphy_path)/ -type d \( -name '__pyccel__' -o -name '__pycache__' \) -exec rm -rf {} +
+	find $(struphy_path)/ -type f \( -name '*.lock' -o -name '*.so' -o -name '*.o' -o -name '*.mod' \) -delete

{struphy-2.4.4 → struphy-2.4.5}/src/struphy/console/compile.py

@@ -3,7 +3,9 @@ import sys
 from struphy.console.run import subp_run
 
 
-def struphy_compile(language, compiler, omp_pic, omp_feec, delete, status, verbose, dependencies, time_execution, yes):
+def struphy_compile(
+    language, compiler, compiler_config, omp_pic, omp_feec, delete, status, verbose, dependencies, time_execution, yes
+):
     """Compile Struphy kernels. All files that contain "kernels" are detected automatically and saved to state.yml.
 
     Parameters
@@ -12,9 +14,12 @@ def struphy_compile(language, compiler, omp_pic, omp_feec, delete, status, verbo
         Either "c" (default) or "fortran".
 
     compiler : str
-        Either "GNU" (default), "intel", "PGI", "nvidia" or the path to a JSON compiler file.
+        Either "GNU" (default), "intel", "PGI", "nvidia", or "LLVM"
         Only "GNU" is regularly tested at the moment.
 
+    compiler_config : str
+        Path to a JSON compiler file.
+
     omp_pic : bool
         Whether to compile PIC kernels with OpenMP (default=False).
 
@@ -191,13 +196,18 @@ def struphy_compile(language, compiler, omp_pic, omp_feec, delete, status, verbo
         flag_omp_pic = ""
         flag_omp_feec = ""
         if omp_pic:
-            flag_omp_pic = "--openmp"
+            flag_omp_pic = " --openmp"
         if omp_feec:
-            flag_omp_feec = "--openmp"
+            flag_omp_feec = " --openmp"
 
         # pyccel flags
         flags = "--language=" + language
-        flags += " --compiler=" + compiler
+
+        if compiler_config:
+            flags += " --compiler-config=" + compiler_config
+        else:
+            flags += " --compiler-family=" + compiler
+
         if time_execution:
             flags += " --time_execution"
 
@@ -288,8 +298,12 @@ def struphy_compile(language, compiler, omp_pic, omp_feec, delete, status, verbo
         cmd = [
             "psydac-accelerate",
             "--language=" + language,
-            "--compiler=" + compiler,
         ]
+        if compiler_config:
+            cmd += ["--compiler-config=" + compiler_config]
+        else:
+            cmd += ["--compiler-family=" + compiler]
+
         subp_run(cmd)
 
         # Compile struphy kernels
@@ -302,15 +316,6 @@ def struphy_compile(language, compiler, omp_pic, omp_feec, delete, status, verbo
             flags += " --verbose"
 
         # compilation
-        gvec_spec = importlib.util.find_spec("gvec_to_python")
-        if gvec_spec is not None:
-            cmd = [
-                "compile-gvec-tp",
-                "--language=" + language,
-                "--compiler=" + compiler,
-            ]
-            subp_run(cmd)
-
         print("\nCompiling Struphy kernels ...")
         cmd = [
             "make",

{struphy-2.4.4 → struphy-2.4.5}/src/struphy/console/main.py

@@ -208,10 +208,18 @@ def struphy():
         "--compiler",
         type=str,
         metavar="COMPILER",
-        help='either "GNU" (default), "intel", "PGI", "nvidia" or the path to a JSON compiler file.',
+        help='either "GNU" (default), "intel", "PGI", "nvidia" or "LLVM"',
         default="GNU",
     )
 
+    parser_compile.add_argument(
+        "--compiler-config",
+        type=str,
+        metavar="COMPILER_CONFIG",
+        help="Path to a JSON compiler file.",
+        default=None,
+    )
+
     parser_compile.add_argument(
         "--omp-pic",
         help="compile PIC kernels with OpenMP",
@@ -276,12 +284,22 @@ def struphy():
         epilog="For more info on Struphy models, visit https://struphy.pages.mpcdf.de/struphy/sections/models.html",
     )
 
+    # parser_run.add_argument(
+    #     "model",
+    #     type=str,
+    #     default=None,
+    #     choices=list_models,
+    #     metavar="MODEL",
+    #     help=model_message,
+    # )
     parser_run.add_argument(
         "model",
         type=str,
+        nargs="?",  # makes it optional
+        default=None,  # fallback if nothing is passed
         choices=list_models,
         metavar="MODEL",
-        help=model_message,
+        help=model_message + f" (default: None)",
     )
 
     parser_run.add_argument(
@@ -668,13 +686,13 @@ def struphy():
     )
 
     parser_pproc.add_argument(
-        "-d",
-        "--dirr",
+        "dirs",
         type=str,
+        nargs="*",
         choices=out_folders,
         metavar="DIR",
-        help="simulation output folder to post-process relative to current I/O path (default=sim_1)",
-        default="sim_1",
+        default=["sim_1"],
+        help=("Simulation output folders to post-process (relative to current I/O path) (default: [sim_1])."),
     )
 
     parser_pproc.add_argument(

{struphy-2.4.4 → struphy-2.4.5}/src/struphy/console/pproc.py

@@ -2,7 +2,7 @@ from struphy.console.run import subp_run
 
 
 def struphy_pproc(
-    dirr,
+    dirs,
     dir_abs=None,
     step=1,
     celldivide=1,
@@ -16,8 +16,8 @@ def struphy_pproc(
 
     Parameters
     ----------
-    dirr : str
-        Path of simulation output folder relative to <struphy_path>/io/out.
+    dirs : str
+        Paths of simulation output folders relative to <struphy_path>/io/out.
 
     dir_abs : str
         Absolute path to the simulation output folder.
@@ -47,29 +47,37 @@ def struphy_pproc(
     state = utils.read_state(libpath)
 
     o_path = state["o_path"]
+    for dir in dirs:
+        # create absolute path
+        if dir_abs is None:
+            dir_abs = os.path.join(o_path, dir)
 
-    # create absolute path
-    if dir_abs is None:
-        dir_abs = os.path.join(o_path, dirr)
+        print(f"Post processing data in {dir_abs}")
 
-    print(f"Post processing data in {dir_abs}")
+        command = [
+            "python3",
+            "post_processing/pproc_struphy.py",
+            dir_abs,
+            "-s",
+            str(step),
+            "--celldivide",
+            str(celldivide),
+        ]
 
-    command = ["python3", "post_processing/pproc_struphy.py", dir_abs, "-s", str(step), "--celldivide", str(celldivide)]
+        if physical:
+            command += ["--physical"]
 
-    if physical:
-        command += ["--physical"]
+        if guiding_center:
+            command += ["--guiding-center"]
 
-    if guiding_center:
-        command += ["--guiding-center"]
+        if classify:
+            command += ["--classify"]
 
-    if classify:
-        command += ["--classify"]
+        # Whether vtk files should be created
+        if no_vtk:
+            command += ["--no-vtk"]
 
-    # Whether vtk files should be created
-    if no_vtk:
-        command += ["--no-vtk"]
+        if time_trace:
+            command += ["--time-trace"]
 
-    if time_trace:
-        command += ["--time-trace"]
-
-    subp_run(command)
+        subp_run(command)