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| author | markuskowa <markus.kowalewski@gmail.com> | 2021-12-16 14:32:24 +0100 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2021-12-16 14:32:24 +0100 |
| commit | cc7a78b2b836312c54d7eacab0f0ff8be2764607 (patch) | |
| tree | a6c2941fee5fc5ab248fb9f77c678b7c6c4d72ab | |
| parent | ocamlPackages.estring: remove broken (diff) | |
| parent | qcelemental: disabled pubchem tests (trying network on darwin) (diff) | |
| download | nixpkgs-cc7a78b2b836312c54d7eacab0f0ff8be2764607.tar.gz | |
Merge pull request #150946 from sheepforce/qcelemental
[Backport 21.11] qcelemental: 0.23.0 -> 0.24.0
| -rw-r--r-- | pkgs/development/python-modules/qcelemental/default.nix | 27 |
1 files changed, 19 insertions, 8 deletions
diff --git a/pkgs/development/python-modules/qcelemental/default.nix b/pkgs/development/python-modules/qcelemental/default.nix index c0992e982510..1808cba6a99b 100644 --- a/pkgs/development/python-modules/qcelemental/default.nix +++ b/pkgs/development/python-modules/qcelemental/default.nix @@ -1,26 +1,37 @@ -{ buildPythonPackage, lib, fetchPypi, numpy -, pydantic, pint, networkx, pytest-runner, pytest-cov, pytest +{ buildPythonPackage, lib, fetchPypi +, networkx +, numpy +, pint +, pydantic +, pytestCheckHook } : buildPythonPackage rec { pname = "qcelemental"; - version = "0.23.0"; - - checkInputs = [ pytest-runner pytest-cov pytest ]; - propagatedBuildInputs = [ numpy pydantic pint networkx ]; + version = "0.24.0"; src = fetchPypi { inherit pname version; - sha256 = "642bc86ce937621ddfb1291cbff0851be16b26feb5eec562296999e36181cee3"; + sha256 = "sha256-XcsR89tu26EG5AcXqmndkESLGWZ8eKmTkjaLziosawE="; }; + propagatedBuildInputs = [ + numpy + pydantic + pint + networkx + ]; + + checkInputs = [ pytestCheckHook ]; + doCheck = true; + disabledTestPaths = [ "qcelemental/tests/test_molparse_pubchem.py" ]; + meta = with lib; { description = "Periodic table, physical constants, and molecule parsing for quantum chemistry"; homepage = "http://docs.qcarchive.molssi.org/projects/qcelemental/en/latest/"; license = licenses.bsd3; - platforms = platforms.linux; maintainers = [ maintainers.sheepforce ]; }; } |