pyrox.dev
python3Packages.mdtraj: 1.10.0 -> 1.10.2 (#377454)
authored by OTABI Tomoya and committed by GitHub 5ecc399b 9d17dcd2
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-8
pkgs/development/python-modules/mdtraj/default.nix
+11
-8
pkgs/development/python-modules/mdtraj/default.nix
···
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fetchpatch,
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llvmPackages,
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zlib,
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cython_0,
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oldest-supported-numpy,
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cython,
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numpy,
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setuptools,
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versioneer,
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wheel,
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astunparse,
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numpy,
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netcdf4,
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packaging,
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pyparsing,
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scipy,
···
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buildPythonPackage rec {
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pname = "mdtraj";
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version = "1.10.0";
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version = "1.10.2";
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pyproject = true;
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src = fetchFromGitHub {
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owner = "mdtraj";
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repo = "mdtraj";
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tag = version;
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hash = "sha256-hNv/humEZOX4W7cOlJSAodk9pIi18//YJNSWNiEFiVg=";
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hash = "sha256-0hSMKrY3p29IUmMuLsNUK4s/AM5zCzAh6Udg/xbeky0=";
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};
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patches = [
···
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];
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build-system = [
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cython_0
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oldest-supported-numpy
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cython
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numpy
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setuptools
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versioneer
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wheel
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];
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buildInputs = [ zlib ] ++ lib.optionals stdenv.cc.isClang [ llvmPackages.openmp ];
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dependencies = [
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astunparse
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netcdf4
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numpy
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packaging
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pyparsing
···
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# require network access
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"test_pdb_from_url"
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"test_1vii_url_and_gz"
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"test_3"
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# fail due to data race
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"test_read_atomindices_1"