ae4a1a485a
If a Python package does not come with either `format` or `pyproject` we consider it a setuptools build, that calls `setup.py` directly, which is deprecated. This change, as a first step, migrates a large chunk of these packages to set setuptools as their explicit format This is so we can unify the problem space for the next step of the migration.
51 lines
1.4 KiB
Nix
51 lines
1.4 KiB
Nix
{
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lib,
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lammps,
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stdenv,
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buildPythonPackage,
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}:
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let
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LAMMPS_SHARED_LIB = "${lib.getLib lammps}/lib/liblammps${stdenv.hostPlatform.extensions.library}";
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in
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buildPythonPackage {
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format = "setuptools";
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inherit (lammps) pname version src;
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env = {
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# Needed for tests
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inherit LAMMPS_SHARED_LIB;
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};
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# Don't perform checks if GPU is enabled - because libcuda.so cannot be opened in the sandbox
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doCheck = if lammps.passthru.packages ? GPU then !lammps.passthru.packages.GPU else true;
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preConfigure = ''
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cd python
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# Upstream assumes that the shared library is located in the same directory
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# as the core.py file. We want to separate the shared library (built by
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# cmake) and the Python library, so we perform this substitution:
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substituteInPlace lammps/core.py \
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--replace-fail \
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"from inspect import getsourcefile" \
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"getsourcefile = lambda f: \"${LAMMPS_SHARED_LIB}\""
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'';
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pythonImportsCheck = [
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"lammps"
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"lammps.pylammps"
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];
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# We could potentially run other examples, but some of them are so old that
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# they don't run with nowadays' LAMMPS. This one is simple enough and recent
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# enough and it works.
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checkPhase = ''
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python examples/mc.py examples/in.mc
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'';
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meta = {
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description = "Python Bindings for LAMMPS";
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homepage = "https://docs.lammps.org/Python_head.html";
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inherit (lammps.meta) license;
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maintainers = with lib.maintainers; [ doronbehar ];
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};
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}
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