nordic-dev.net/nixpkgs
nordic-dev.net/nixpkgs
2
0
Fork 0
mirror of https://github.com/NixOS/nixpkgs.git synced 2024-11-24 07:53:19 +00:00
Code Issues Packages Projects Releases Wiki Activity

Merge pull request #335937 from dotlambda/python3Packages.mdtraj

Browse Source 
python312Packages.mdtraj: fix build
This commit is contained in:
Robert Schütz 2024-08-22 15:42:52 -07:00 committed by GitHub
commit 8d5469c953
No known key found for this signature in database
GPG Key ID: B5690EEEBB952194
1 changed files with 8 additions and 19 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

27
pkgs/development/python-modules/mdtraj/default.nix
View File

@ -21,6 +21,7 @@
pytest-xdist,
pytestCheckHook,
tables,
pythonAtLeast,
}:
buildPythonPackage rec {
@ -36,25 +37,6 @@ buildPythonPackage rec {
};
patches = [
(fetchpatch {
name = "gsd_3-compatibility.patch";
url = "https://github.com/mdtraj/mdtraj/commit/81209d00817ab07cfc4668bf5ec88088d16904c0.patch";
hash = "sha256-ttNmij7csxF0Z5wPPwhGumRX055W2IgFjRAe6nI6GNY=";
})
# remove pkg_resources usage
# https://github.com/mdtraj/mdtraj/pull/1837
(fetchpatch {
name = "fix-runtime-error.patch";
url = "https://github.com/mdtraj/mdtraj/commit/02d44d4db7039fceb199c85b4f993244804f470d.patch";
hash = "sha256-nhbi3iOrDSM87DyIp1KVt383Vvb6aYOgkjuYzviqiq8=";
})
# remove distutils usage
# https://github.com/mdtraj/mdtraj/pull/1834
(fetchpatch {
name = "python312-compatibility.patch";
url = "https://github.com/mdtraj/mdtraj/commit/95d79747deef42c976ca362a57806b61933409f3.patch";
hash = "sha256-Cq7/d745q6ZgAyWGM4ULnSsWezsbnu1CjSz5eqYSb+g=";
})
# disable intrinsics when SIMD is not available
# TODO: enable SIMD with python3.12
# https://github.com/mdtraj/mdtraj/pull/1884
@ -113,6 +95,13 @@ buildPythonPackage rec {
"test_precentered_2"
];
# these files import distutils
# remove once https://github.com/mdtraj/mdtraj/pull/1916 is merged
disabledTestPaths = lib.optionals (pythonAtLeast "3.12") [
"test_mol2.py"
"test_netcdf.py"
];
pythonImportsCheck = [ "mdtraj" ];
meta = with lib; {