WIP: Meson build files

c/meson.build

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+# Find numpy include directory
+include_numpy = run_command(python,
+  ['-c', 'import os; os.chdir(".."); import numpy; print(numpy.get_include())'],
+  check : true
+).stdout().strip()
+
+# Build and install the extension module
+module = python.extension_module(
+    '_SurfaceTopography', # Name of the module
+    [  # List of sources
+        'angle_distribution.c',
+        'islands.cpp',
+        'neighbours.c',
+        'ring_statistics.cpp',
+        'tools.c',
+        'matscipymodule.c'
+    ],
+    install: true,  # Install it
+    include_directories: include_directories(include_numpy),
+    dependencies: [ # List of dependencies
+        python.dependency(), # Add Python.h as dependency
+    ]
+)

discover_version.py

@@ -0,0 +1,64 @@
+#
+# Copyright 2022 Lars Pastewka
+#
+# ### MIT license
+#
+# Permission is hereby granted, free of charge, to any person obtaining a copy
+# of this software and associated documentation files (the "Software"), to deal
+# in the Software without restriction, including without limitation the rights
+# to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+# copies of the Software, and to permit persons to whom the Software is
+# furnished to do so, subject to the following conditions:
+#
+# The above copyright notice and this permission notice shall be included in
+# all copies or substantial portions of the Software.
+#
+# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+# OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+# SOFTWARE.
+#
+
+import subprocess
+
+
+def get_version_from_git():
+    """
+    Discover muSpectre version from git repository.
+    """
+    git_describe = subprocess.run(
+        ['git', 'describe', '--tags', '--dirty', '--always'],
+        stdout=subprocess.PIPE)
+    if git_describe.returncode != 0:
+        raise RuntimeError('git execution failed')
+    version = git_describe.stdout.decode('latin-1').strip()
+    git_hash = subprocess.run(
+        ['git', 'show', '-s', '--format=%H'],
+        stdout=subprocess.PIPE)
+    if git_hash.returncode != 0:
+        raise RuntimeError('git execution failed')
+    hash = git_hash.stdout.decode('latin-1').strip()
+
+    dirty = version.endswith('-dirty')
+
+    # Make version PEP 440 compliant
+    if dirty:
+        version = version.replace('-dirty', '')
+    version = version.replace('-', '.dev', 1)
+    version = version.replace('-', '+', 1)
+    if dirty:
+        version += '-dirty'
+
+    return dirty, version, hash
+
+
+dirty, version, hash = get_version_from_git()
+
+#
+# Print version to screen
+#
+
+print(version)

matscipy/calculators/eam/meson.build

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+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'average_atom.py',
+    'calculator.py',
+    'io.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/calculators/eam'
+)

matscipy/calculators/mcfm/mcfm_parallel/meson.build

@@ -0,0 +1,14 @@
+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'mcfm_parallel_control.py',
+    'mcfm_parallel_worker.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/calculators/mcfm/mcfm_parallel'
+)

matscipy/calculators/mcfm/meson.build

@@ -0,0 +1,19 @@
+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'calculator.py',
+    'cluster_data.py',
+    'qm_cluster.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/calculators/mcfm'
+)
+
+subdir('mcfm_parallel')
+subdir('neighbour_list_mcfm')
+subdir('qm_cluster_tools')

matscipy/calculators/mcfm/neighbour_list_mcfm/meson.build

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+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'neighbour_list_base.py',
+    'neighbour_list_mcfm.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/calculators/mcfm/neighbour_list_mcfm'
+)

matscipy/calculators/mcfm/qm_cluster_tools/meson.build

@@ -0,0 +1,15 @@
+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'base_qm_cluster_tool.py',
+    'qm_clustering_tool.py',
+    'qm_flagging_tool.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/calculators/mcfm/qm_cluster_tools'
+)

matscipy/calculators/meson.build

@@ -0,0 +1,19 @@
+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'fitting.py',
+    'supercell_calculator.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/calculators'
+)
+
+subdir('eam')
+subdir('mcfm')
+subdir('pair_potential')
+subdir('polydisperse')

matscipy/calculators/pair_potential/meson.build

@@ -0,0 +1,13 @@
+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'calculator.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/calculators/pair_potential'
+)

matscipy/calculators/polydisperse/meson.build

@@ -0,0 +1,13 @@
+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'calculator.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/calculators/polydisperse'
+)

matscipy/contact_mechanics/meson.build

@@ -0,0 +1,17 @@
+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'analysis.py',
+    'DMT.py',
+    'greens_function.py',
+    'Hertz.py',
+    'JKR.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/contact_mechanics'
+)

matscipy/electrochemistry/meson.build

@@ -0,0 +1,15 @@
+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'continuous2discrete.py',
+    'poisson_boltzmann_distribution.py',
+    'poisson_nernst_planck_solver.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/electrochemistry'
+)

matscipy/fracture_mechanics/meson.build

@@ -0,0 +1,17 @@
+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'clusters.py',
+    'crack.py',
+    'crackpathsel.py',
+    'energy_release.py',
+    'idealbrittlesolid.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/calculators/fracture_mechanics'
+)

matscipy/io/meson.build

@@ -0,0 +1,15 @@
+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'metis.py',
+    'opls.py',
+    'tbl.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/io'
+)

matscipy/meson.build

@@ -0,0 +1,39 @@
+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    '_version.py',
+    'angle_distribution.py',
+    'atomic_strain.py',
+    'deformation.py',
+    'dislocation.py',
+    'distributed_computation.py',
+    'drift.py',
+    'elasticity.py',
+    'hessian_finite_differences.py',
+    'hydrogenate.py',
+    'logger.py',
+    'neighbours.py',
+    'opls.py',
+    'pressurecoupling.py',
+    'rings.py',
+    'socketcalc.py',
+    'spatial_correlation_function.py',
+    'surface.py',
+    'visualise.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy'
+)
+
+subdir('calculators')
+subdir('contact_mechanics')
+subdir('electrochemistry')
+subdir('fracture_mechanics')
+subdir('io')
+subdir('tool')
+

matscipy/tool/meson.build

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+# https://mesonbuild.com/Python-module.html
+
+# Pure Python sources
+python_sources = [
+    '__init__.py',
+    'plot.py'
+]
+
+# Install pure Python
+python.install_sources(
+    python_sources,
+    subdir: 'matscipy/tool'
+)

meson.build

@@ -0,0 +1,15 @@
+# https://mesonbuild.com/
+project(
+    'matscipy', # Project name
+    'c', 'cpp', # Project type. We need a C and C++ compiler.
+    version: run_command('python3', 'discover_version.py', check: true).stdout().strip(), # Project version
+)
+
+# https://mesonbuild.com/Python-module.html
+pymod = import('python')
+python = pymod.find_installation('python3',
+    required: true,
+)
+
+subdir('c')
+subdir('matscipy')