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python310Packages.qutip: 4.6.3 -> 4.7.0

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This commit is contained in:
Fabian Affolter 2022-06-08 12:26:02 +02:00
parent d0ee55d6d3
commit 7770164a07
1 changed files with 81 additions and 60 deletions
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141
pkgs/development/python-modules/qutip/default.nix
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@ -1,70 +1,91 @@
{ lib, stdenv, fetchFromGitHub, buildPythonPackage, python, packaging, numpy
, cython, scipy, matplotlib, pytestCheckHook, pytest-rerunfailures
, doCheck ? false
{ lib
, stdenv
, buildPythonPackage
, cvxopt
, cvxpy
, cython
, doCheck ? true
, fetchFromGitHub
, matplotlib
, numpy
, packaging
, pytest-rerunfailures
, pytestCheckHook
, python
, pythonOlder
, scipy
}:
let
self = buildPythonPackage rec {
pname = "qutip";
version = "4.6.3";
buildPythonPackage rec {
pname = "qutip";
version = "4.7.0";
format = "setuptools";
src = fetchFromGitHub {
owner = pname;
repo = pname;
rev = "v${version}";
sha256 = "sha256-11K7Tl7PE98nM2vGsa+OKIJYu0Wmv8dT700PDt9RRVk=";
};
disabled = pythonOlder "3.7";
# QuTiP says it needs specific (old) Numpy versions. We overwrite them here
# as the tests work perfectly fine with up-to-date packages.
postPatch = ''
substituteInPlace setup.cfg --replace "numpy>=1.16.6,<1.20" "numpy>=1.16.6"
'';
src = fetchFromGitHub {
owner = pname;
repo = pname;
rev = "v${version}";
hash = "sha256-wGr6uTM6pFL2nvN4zdqPdEO8O3kjrRtKWx8luL1t9Sw=";
};
# Disabling OpenMP support on Darwin.
setupPyGlobalFlags = lib.optional (!stdenv.isDarwin) "--with-openmp";
nativeBuildInputs = [
cython
];
propagatedBuildInputs = [
packaging
numpy
cython
scipy
propagatedBuildInputs = [
numpy
packaging
scipy
];
checkInputs = [
pytestCheckHook
pytest-rerunfailures
] ++ passthru.optional-dependencies.graphics;
# Disabling OpenMP support on Darwin.
setupPyGlobalFlags = lib.optional (!stdenv.isDarwin) [
"--with-openmp"
];
# QuTiP tries to access the home directory to create an rc file for us.
# We need to go to another directory to run the tests from there.
# This is due to the Cython-compiled modules not being in the correct location
# of the source tree.
preCheck = ''
export HOME=$(mktemp -d);
export OMP_NUM_THREADS=$NIX_BUILD_CORES
mkdir -p test && cd test
'';
# For running tests, see https://qutip.org/docs/latest/installation.html#verifying-the-installation
checkPhase = ''
runHook preCheck
${python.interpreter} -c "import qutip.testing; qutip.testing.run()"
runHook postCheck
'';
pythonImportsCheck = [
"qutip"
];
passthru.optional-dependencies = {
graphics = [
matplotlib
];
checkInputs = [
pytestCheckHook
pytest-rerunfailures
semidefinite = [
cvxpy
cvxopt
];
# test suite is very cpu intensive
inherit doCheck;
# - QuTiP tries to access the home directory to create an rc file for us.
# This of course fails and therefore, we provide a writable temp dir as HOME.
# - We need to go to another directory to run the tests from there.
# This is due to the Cython-compiled modules not being in the correct location
# of the source tree.
# - For running tests, see:
# https://qutip.org/docs/latest/installation.html#verifying-the-installation
checkPhase = ''
export OMP_NUM_THREADS=$NIX_BUILD_CORES
export HOME=$(mktemp -d)
mkdir -p test && cd test
${python.interpreter} -c "import qutip.testing; qutip.testing.run()"
'';
pythonImportsCheck = [ "qutip" ];
passthru.tests = {
all-tests = self.override { doCheck = true; };
};
meta = with lib; {
broken = (stdenv.isLinux && stdenv.isAarch64);
description = "Open-source software for simulating the dynamics of closed and open quantum systems";
homepage = "https://qutip.org/";
license = licenses.bsd3;
maintainers = [ maintainers.fabiangd ];
};
};
in self
meta = with lib; {
broken = (stdenv.isLinux && stdenv.isAarch64);
description = "Open-source software for simulating the dynamics of closed and open quantum systems";
homepage = "https://qutip.org/";
license = licenses.bsd3;
maintainers = with maintainers; [ fabiangd ];
};
}