73 lines
1.8 KiB
Nix
73 lines
1.8 KiB
Nix
{
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lib,
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buildPythonPackage,
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fetchFromGitHub,
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setuptools,
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looseversion,
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mmtf-python,
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numpy,
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pandas,
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pytestCheckHook,
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fetchpatch2,
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}:
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buildPythonPackage rec {
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pname = "biopandas";
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version = "0.5.0";
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pyproject = true;
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src = fetchFromGitHub {
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owner = "BioPandas";
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repo = "biopandas";
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rev = "refs/tags/v${version}";
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hash = "sha256-1c78baBBsDyvAWrNx5mZI/Q75wyXv0DAwAdWm3EwX/I=";
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};
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patches = [
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# Needed for below patch to apply properly
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(fetchpatch2 {
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name = "deprecate-mmtf-parsing.patch";
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url = "https://github.com/BioPandas/biopandas/commit/7a1517dbe76f2c70da8edb35f90c9fa69254e726.patch?full_index=1";
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hash = "sha256-RFtXFqUYl8GnZ319HsBwx5SUbfUDnR66Ppakdvtg/wI=";
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})
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# Remove nose as a dependency.
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(fetchpatch2 {
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name = "remove-nose.patch";
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url = "https://github.com/BioPandas/biopandas/commit/67aa2f237c70c826cd9ab59d6ae114582da2112f.patch?full_index=1";
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hash = "sha256-fVl57/vGuzlYX/MBZnma1ZFCVmIpjr1k8t3bUJnb/uI=";
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excludes = [ "setup.py" ];
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})
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];
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pythonRelaxDeps = [ "looseversion" ];
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build-system = [ setuptools ];
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dependencies = [
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numpy
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pandas
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mmtf-python
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looseversion
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];
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nativeCheckInputs = [ pytestCheckHook ];
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disabledTests = [
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# require network access
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"test_mmcif_pdb_conversion"
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"test_fetch_pdb"
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"test_write_mmtf_bp"
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"test_write_mmtf"
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"test_b_factor_shift"
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];
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pythonImportsCheck = [ "biopandas" ];
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meta = {
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description = "Working with molecular structures in pandas DataFrames";
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homepage = "https://github.com/BioPandas/biopandas";
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changelog = "https://github.com/BioPandas/biopandas/releases/tag/${src.rev}";
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license = lib.licenses.bsd3;
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maintainers = with lib.maintainers; [ natsukium ];
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};
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}
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