package the python scripts

.gitignore

@@ -3,3 +3,4 @@ build
 __pycache__
 configure.mk
 result
+gcroots

Makefile

@@ -25,6 +25,9 @@ INCDIR   = build/inc
 
 PREFIX ?= /usr
 
+PYTHON_VERSION = $(shell python -c 'import sys; print(f"{sys.version_info.major}.{sys.version_info.minor}")')
+PYTHON_PREFIX ?= $(PREFIX)/lib/python$(PYTHON_VERSION)/site-packages
+
 # Directories that need to be created
 DIRS = $(BINDIR) $(OBJDIR) $(INCDIR) $(LIBDIR) $(SHAREDIR)
 
@@ -47,7 +50,7 @@ MODULES = $(filter-out $(OBJDIR)/main%,$(OBJECTS))
 # Build outputs
 GRAY      = $(BINDIR)/gray
 LIBGRAY   = $(LIBDIR)/libgray.so
-BINARIES  = $(GRAY) $(GRAY)-convert
+BINARIES  = $(GRAY) $(GRAY)-convert $(GRAY)-visual
 LIBRARIES = $(LIBGRAY)
 MANPAGES  = $(addprefix $(SHAREDIR)/,gray.1 gray-convert.1 gray.ini.5 \
               profiles.txt.5 beamdata.txt.5 magneticdata.txt.5)
@@ -159,8 +162,13 @@ tests.%: $(GRAY)
 .PHONY: install-bin
 install-bin: $(BINARIES) $(LIBRARIES)
 	mkdir -p $(PREFIX)/{bin,lib}
-	install -m555 -t $(PREFIX)/bin $(BINDIR)/*
-	install -m555 -t $(PREFIX)/lib $(LIBDIR)/*
+	install -m555 -t $(PREFIX)/bin $(BINARIES)
+	cp -fr -t $(PREFIX)/lib $(LIBRARIES)
+
+.PHONY: install-python
+install-python: scripts/gray
+	mkdir -p $(PYTHON_PREFIX)
+	cp -fr -t $(PYTHON_PREFIX) $^
 
 .PHONY: install-doc
 install-doc: $(SHAREDIR)/doc $(MANPAGES)
@@ -171,7 +179,7 @@ install-doc: $(SHAREDIR)/doc $(MANPAGES)
 	install -m644 -t $(PREFIX)/share/man/man5 $(SHAREDIR)/*.5
 
 .PHONY: install
-install: install-bin install-doc
+install: install-bin install-python install-doc
 
 # dependencies
 $(OBJDIR)/%.o: $(OBJDIR)/%.d
@@ -184,6 +192,12 @@ $(GRAY): $(OBJDIR)/main.o $(LIBGRAY) | $(BINDIR)
 $(GRAY)-convert: $(OBJDIR)/main_convert.o $(LIBGRAY) | $(BINDIR)
 	$(LD) $(LDFLAGS) -o '$@' $< -lgray
 
+# gray-visual script
+$(GRAY)-visual: | $(BINDIR)
+	echo '#!/usr/bin/env python' > $@
+	echo 'from gray.visual import main; main()' >> $@
+	chmod +x $@
+
 # GRAY shared library
 $(LIBDIR)/libgray.so: $(MODULES) | $(LIBDIR)
 	$(LD) -shared $(LDFLAGS) -o '$@' $^

default.nix

@@ -1,39 +1,61 @@
-{ static ? false }:
+{
+  static ? false,
+}:
 
 let
   # Pinned Nixpkgs for reproducibility
   nixpkgs = builtins.fetchTarball
-    { name   = "nixpkgs-23.05.5a237aecb572";
-      url    = "https://github.com/nixos/nixpkgs/archive/5a237aecb572.tar.gz";
+    { name = "nixpkgs-23.05.5a237aecb572";
+      url = "https://github.com/nixos/nixpkgs/archive/5a237aecb572.tar.gz";
       sha256 = "166yxg4ff2jxvl9mbngd90dr1k3rdj6xmiccga41xynhh2zr0vmb";
     };
 
   # Needed for HTML manual
-  katex = builtins.fetchTarball {
-    url = "https://github.com/KaTeX/KaTeX/releases/download/v0.15.1/katex.tar.gz";
-    sha256 = "007nv11r0z9fz593iwzn55nc0p0wj5lpgf0k2brhs1ynmikq9gjr";
-  };
+  katex = builtins.fetchTarball
+    { url = "https://github.com/KaTeX/KaTeX/releases/download/v0.15.1/katex.tar.gz";
+      sha256 = "007nv11r0z9fz593iwzn55nc0p0wj5lpgf0k2brhs1ynmikq9gjr";
+    };
 
-  # Exclude this file, build artifacts and git
-  source = builtins.filterSource
-    (path: type:
-      !builtins.elem path [ "configure.mk" "default.nix" "result" ]
-      && baseNameOf path != "build"
-      && baseNameOf path != ".git") ./.;
+  # Exclude this file, .git and more from source
+  sieve = path: type:
+    !builtins.elem (baseNameOf path) (
+      [ "default.nix" ".git" ]
+      ++ lib.splitString "\n" (lib.readFile ./.gitignore));
 
-  inherit (import nixpkgs {}) lib pkgs;
+  inherit (import nixpkgs { }) lib pkgs;
 
-in
-  pkgs.stdenv.mkDerivation rec {
+  python = pkgs.python3;
+
+  gray-python = python.pkgs.buildPythonPackage {
     pname = "gray";
     version = builtins.readFile ./.version;
-    src = source;
+    src = builtins.filterSource sieve ./.;
+
+    format = "other";
+    propagatedBuildInputs = with pkgs.python3Packages; [ numpy matplotlib ];
+    makeFlags = [ "PREFIX=$(out)" ];
+
+    dontConfigure = true;
+    dontBuild = true;
+    installTargets = "install-python";
+
+    pythonImportsCheck = [ "gray" ];
+
+    meta = {
+      description = "Python interface to GRAY";
+      platforms = python.meta.platforms;
+    };
+  };
+
+in
+  pkgs.stdenv.mkDerivation {
+    pname = "gray";
+    version = builtins.readFile ./.version;
+    src = builtins.filterSource sieve ./.;
 
     doCheck = true;
 
-    checkInputs = with pkgs.python3Packages; [
-      numpy scipy matplotlib
-    ];
+    checkInputs = with python.pkgs; [ numpy scipy matplotlib ];
 
     nativeBuildInputs = with pkgs; [
       # fortran
@@ -53,12 +75,13 @@ in
       nixpkgs
     ];
 
-    buildInputs = lib.optional static pkgs.glibc.static;
+    buildInputs =
+      lib.singleton (python.withPackages (p: [ gray-python ]))
+      ++ lib.optional static pkgs.glibc.static;
 
     # fonts needed for the PDF manual
-    FONTCONFIG_FILE = pkgs.makeFontsConf {
-      fontDirectories = with pkgs; [ libertinus julia-mono ];
-    };
+    env.FONTCONFIG_FILE = pkgs.makeFontsConf
+      { fontDirectories = with pkgs; [ libertinus julia-mono ]; };
 
     preConfigure = ''
       # set directories for temporary files
@@ -75,6 +98,13 @@ in
       "--enable-deterministic"
     ];
 
+    shellHook = ''
+      export PREFIX=build/
+      export PYTHONPATH=build/${python.sitePackages}
+    '';
+
+    passthru.python = gray-python;
+
     meta = {
       homepage = "https://doi.org/10.13182/FST07-A1494";
       description = "A quasi-optical beam-tracing code for EC waves in tokamaks";

scripts/gray/visual.py

@@ -1,6 +1,6 @@
 '''
 Script to quickly visualise both the inputs and output files of GRAY
-Usage: python -m scripts.gray_visual -h
+Usage: see gray-visual -h
 '''
 
 from pathlib import Path
@@ -10,7 +10,7 @@ from matplotlib.contour import ContourSet
 import argparse
 import matplotlib.pyplot as plt
 import numpy as np
-import scripts.gray as gray
+import gray
 
 
 def cli_args() -> argparse.Namespace:
@@ -482,7 +482,7 @@ def plot_inputs(inputs: Path, outputs: Path, axes: [plt.Axes]):
         axes['D'].legend(loc='center left')
 
 
-def main(kind: str, args: argparse.Namespace) -> (plt.Figure, [float]):
+def draw(kind: str, args: argparse.Namespace) -> (plt.Figure, [float]):
     '''
     Draws a single figure of a given kind
     '''
@@ -536,7 +536,7 @@ def main(kind: str, args: argparse.Namespace) -> (plt.Figure, [float]):
     return fig, rect
 
 
-if __name__ == '__main__':
+def main():
     args = cli_args()
 
     def on_resize(event):
@@ -550,7 +550,7 @@ if __name__ == '__main__':
         plt.ion()
 
     for kind in args.kind:
-        fig, rect = main(kind, args)
+        fig, rect = draw(kind, args)
         if args.interactive:
             fig.canvas.mpl_connect('resize_event', on_resize)
         if args.outfile is not None:
@@ -563,3 +563,7 @@ if __name__ == '__main__':
 
     if args.interactive:
         input('press enter to quit')
+
+
+if __name__ == '__main__':
+    main()