python3Packages.potentials: init at 0.3.1

1 files changed, 58 insertions, 0 deletions

diff --git a/pkgs/development/python-modules/potentials/default.nix b/pkgs/development/python-modules/potentials/default.nix
new file mode 100644
index 0000000000000..24db19b3c065e
--- /dev/null
+++ b/pkgs/development/python-modules/potentials/default.nix
@@ -0,0 +1,58 @@
+{ lib
+, buildPythonPackage
+, fetchPypi
+, ipywidgets
+, cdcs
+, bibtexparser
+, habanero
+, pandas
+, requests
+, numpy
+, matplotlib
+, unidecode
+, datamodeldict
+, xmltodict
+, pytestCheckHook
+, pythonOlder
+}:
+
+buildPythonPackage rec {
+  version = "0.3.1";
+  pname = "potentials";
+  format = "setuptools";
+
+  disabled = pythonOlder "3.7";
+
+  src = fetchPypi {
+    inherit pname version;
+    sha256 = "02l1rav5jdfsb00byxbswyhqdnjljp9y7g4ddn4mivzi7x39qa52";
+  };
+
+  propagatedBuildInputs = [
+    ipywidgets
+    cdcs
+    bibtexparser
+    habanero
+    pandas
+    requests
+    numpy
+    matplotlib
+    unidecode
+    datamodeldict
+    xmltodict
+  ];
+
+  # Project has no tests
+  doCheck = false;
+
+  pythonImportsCheck = [
+    "potentials"
+  ];
+
+  meta = with lib; {
+    description = "Python API database tools for accessing the NIST Interatomic Potentials Repository";
+    homepage = "https://github.com/usnistgov/potentials";
+    license = licenses.mit;
+    maintainers = with maintainers; [ fab ];
+  };
+}