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WIP: Make espresso pip-installable #4884

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WIP: Make espresso pip-installable #4884

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9dffe95
add pyproject and setup
jhossbach Mar 17, 2024
d4ca38d
move to scikit-build-core, metadata
jhossbach Mar 27, 2024
44d9ea8
fix CI
jhossbach Mar 27, 2024
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10 changes: 1 addition & 9 deletions CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -265,16 +265,8 @@ set(ESPRESSO_INSTALL_LIBDIR "${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_LIBDIR}")

# python site-packages, can be overriden with CMake options
if(ESPRESSO_BUILD_WITH_PYTHON)
if(NOT ESPRESSO_INSTALL_PYTHON)
if(CMAKE_INSTALL_PREFIX STREQUAL "/")
set(ESPRESSO_INSTALL_PYTHON "${Python_SITEARCH}")
else()
set(ESPRESSO_INSTALL_PYTHON
"${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_LIBDIR}/python${Python_VERSION_MAJOR}.${Python_VERSION_MINOR}/site-packages"
)
endif()
endif()
# override: package C++, CUDA and Cython shared objects together
set(ESPRESSO_INSTALL_PYTHON "${Python_SITEARCH}")
set(ESPRESSO_INSTALL_LIBDIR "${ESPRESSO_INSTALL_PYTHON}/espressomd")
endif()

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26 changes: 26 additions & 0 deletions pyproject.toml
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Original file line number Diff line number Diff line change
@@ -0,0 +1,26 @@
[build-system]
requires = [
"scikit-build-core",
"cmake>=3.18",
"numpy>=1.23",
"cython>=0.29.21,<=3.0.7",
]
build-backend = "scikit_build_core.build"

[project]
name = "espressomd"
version = "4.3"
requires-python = ">=3.9"
dependencies = [
"numpy>=1.23"
]
description = "Extensible Simulation Package for Research on Soft Matter Systems"
readme = "Readme.md"
authors = [{name = "The ESPResSo project"}]
license = {file = "COPYING"}

[project.urls]
Homepage = "https://espressomd.org"
Repository = "https://github.com/espressomd/espresso"
Issues = "https://github.com/espressomd/espresso/issues"
Documentation = "https://espressomd.github.io/"
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