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-rw-r--r--infra/libkookie/nixpkgs/pkgs/development/python-modules/dftfit/default.nix25
1 files changed, 15 insertions, 10 deletions
diff --git a/infra/libkookie/nixpkgs/pkgs/development/python-modules/dftfit/default.nix b/infra/libkookie/nixpkgs/pkgs/development/python-modules/dftfit/default.nix
index 0f0563e3baf5..73791bdaa9a6 100644
--- a/infra/libkookie/nixpkgs/pkgs/development/python-modules/dftfit/default.nix
+++ b/infra/libkookie/nixpkgs/pkgs/development/python-modules/dftfit/default.nix
@@ -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";