diff options
author | Phillip Seeber <phillip.seeber@googlemail.com> | 2021-05-25 15:09:39 +0200 |
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committer | Phillip Seeber <phillip.seeber@googlemail.com> | 2021-05-25 15:09:50 +0200 |
commit | ab484473ae570fbedf935d191ec9284dbc6ccfe4 (patch) | |
tree | 94b350b6672a34032b6936e8689a18fa0b69c0fd /pkgs/development/python-modules/qcelemental | |
parent | 44595a679b2345ddad993c73bbd26fff9d19031c (diff) |
qcelemental: init at 0.20.0
qcelemental: directory name qcelemental: remove cacert, 0.19.0 -> 0.20.0
Diffstat (limited to 'pkgs/development/python-modules/qcelemental')
-rw-r--r-- | pkgs/development/python-modules/qcelemental/default.nix | 26 |
1 files changed, 26 insertions, 0 deletions
diff --git a/pkgs/development/python-modules/qcelemental/default.nix b/pkgs/development/python-modules/qcelemental/default.nix new file mode 100644 index 0000000000000..52cd264a005a9 --- /dev/null +++ b/pkgs/development/python-modules/qcelemental/default.nix @@ -0,0 +1,26 @@ +{ buildPythonPackage, lib, fetchPypi, numpy, pydantic, pint, + networkx, pytestrunner, pytestcov, pytest +} : + +buildPythonPackage rec { + pname = "qcelemental"; + version = "0.20.0"; + + checkInputs = [ pytestrunner pytestcov pytest ]; + propagatedBuildInputs = [ numpy pydantic pint networkx ]; + + src = fetchPypi { + inherit pname version; + sha256 = "141vw36fmacj897q26kq2bl9l0d23lyqjfry6q46aa9087dcs7ni"; + }; + + doCheck = true; + + 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 ]; + }; +} |