JakeHillion/nixpkgs
1
0
Fork 0
Code Issues Pull Requests Actions 1 Packages Projects Releases Wiki Activity

pythonPackages.dftfit: cleanup, add import check

Browse Source
This commit is contained in:
Sandro Jäckel 2021-02-15 23:52:36 +01:00
parent 499ce18520
commit 0e9e705e4f
No known key found for this signature in database
GPG Key ID: 3AF5A43A3EECC2E5
1 changed files with 15 additions and 10 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

25
pkgs/development/python-modules/dftfit/default.nix
View File

@ -12,11 +12,7 @@
, lammps-cython
, pymatgen-lammps
, pytestrunner
, pytest
, pytestcov
, pytest-benchmark
, isPy3k
, openssh
}:
buildPythonPackage rec {
@ -25,18 +21,27 @@ buildPythonPackage rec {
disabled = (!isPy3k);
src = fetchPypi {
inherit pname version;
sha256 = "4dcbde48948835dcf2d49d6628c9df5747a8ec505d517e374b8d6c7fe95892df";
inherit pname version;
sha256 = "4dcbde48948835dcf2d49d6628c9df5747a8ec505d517e374b8d6c7fe95892df";
};
buildInputs = [ pytestrunner ];
checkInputs = [ pytest pytestcov pytest-benchmark openssh ];
propagatedBuildInputs = [ pymatgen marshmallow pyyaml pygmo
pandas scipy numpy scikitlearn
lammps-cython pymatgen-lammps ];
propagatedBuildInputs = [
pymatgen
marshmallow
pyyaml
pygmo
pandas
scipy
numpy
scikitlearn
lammps-cython
pymatgen-lammps
];
# tests require git lfs download. and is quite large so skip tests
doCheck = false;
pythonImportsCheck = [ "dftfit" ];
meta = {
description = "Ab-Initio Molecular Dynamics Potential Development";