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What happens if I push all of nixpkgs
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1.5 kB · 79 lines
Nix
at flake-libs
1234567891011121314151617181920212223242526272829303132333435363738394041424344454647484950515253545556575859606162636465666768697071727374757677787980{ lib, stdenv, fetchPypi, buildPythonPackage, isPy27, pythonAtLeast, setuptools, numpy, scipy, matplotlib, flask, pillow, psycopg2, tkinter, pytestCheckHook, pytest-mock, pytest-xdist,}:
buildPythonPackage rec { pname = "ase"; version = "3.25.0"; pyproject = true;
disabled = isPy27;
src = fetchPypi { inherit pname version; hash = "sha256-N0z4yp/liPBdboVto8nBfvJi3JaAJ7Ix1EkzQUDJYsI="; };
build-system = [ setuptools ];
dependencies = [ numpy scipy matplotlib flask pillow psycopg2 ] ++ lib.optionals stdenv.hostPlatform.isDarwin [ tkinter ];
nativeCheckInputs = [ pytestCheckHook pytest-mock pytest-xdist ];
disabledTests = [ "test_fundamental_params" "test_ase_bandstructure" "test_imports" "test_units" "test_favicon" "test_vibrations_methods" # missing attribute "test_jmol_roundtrip" # missing attribute "test_pw_input_write_nested_flat" # Did not raise DeprecationWarning "test_fix_scaled" # Did not raise UserWarning "test_ipi_protocol" # flaky ] ++ lib.optionals (pythonAtLeast "3.12") [ "test_info_calculators" ];
preCheck = '' export PATH="$out/bin:$PATH" '';
pythonImportsCheck = [ "ase" ];
meta = with lib; { description = "Atomic Simulation Environment"; homepage = "https://wiki.fysik.dtu.dk/ase/"; license = licenses.lgpl21Plus; maintainers = [ ]; };}