diff --git a/pkgs/development/python-modules/atomman/default.nix b/pkgs/development/python-modules/atomman/default.nix new file mode 100644 index 000000000000..ce4408b84412 --- /dev/null +++ b/pkgs/development/python-modules/atomman/default.nix @@ -0,0 +1,40 @@ +{ stdenv +, buildPythonPackage +, fetchPypi +, xmltodict +, datamodeldict +, numpy +, matplotlib +, scipy +, pandas +, cython +, numericalunits +, pytest +}: + +buildPythonPackage rec { + version = "1.2.3"; + pname = "atomman"; + + src = fetchPypi { + inherit pname version; + sha256 = "9eb6acc5497263cfa89be8d0f383a9a69f0726b4ac6798c1b1d96f26705ec09c"; + }; + + checkInputs = [ pytest ]; + propagatedBuildInputs = [ xmltodict datamodeldict numpy matplotlib scipy pandas cython numericalunits ]; + + # tests not included with Pypi release + doCheck = false; + + checkPhase = '' + py.test tests + ''; + + meta = with stdenv.lib; { + homepage = https://github.com/usnistgov/atomman/; + description = "Atomistic Manipulation Toolkit"; + license = licenses.mit; + maintainers = [ maintainers.costrouc ]; + }; +} diff --git a/pkgs/development/python-modules/datamodeldict/default.nix b/pkgs/development/python-modules/datamodeldict/default.nix new file mode 100644 index 000000000000..9aac803ccae1 --- /dev/null +++ b/pkgs/development/python-modules/datamodeldict/default.nix @@ -0,0 +1,27 @@ +{ stdenv +, buildPythonPackage +, fetchPypi +, xmltodict +}: + +buildPythonPackage rec { + version = "0.9.4"; + pname = "DataModelDict"; + + src = fetchPypi { + inherit pname version; + sha256 = "97d8e999e000cf69c48e57b1a72eb45a27d83576a38c6cd8550c230b018be7af"; + }; + + propagatedBuildInputs = [ xmltodict ]; + + # no tests + doCheck = false; + + meta = with stdenv.lib; { + homepage = https://github.com/usnistgov/DataModelDict/; + description = "Class allowing for data models equivalently represented as Python dictionaries, JSON, and XML"; + license = licenses.mit; + maintainers = [ maintainers.costrouc ]; + }; +} diff --git a/pkgs/development/python-modules/numericalunits/default.nix b/pkgs/development/python-modules/numericalunits/default.nix new file mode 100644 index 000000000000..1212bf0039c9 --- /dev/null +++ b/pkgs/development/python-modules/numericalunits/default.nix @@ -0,0 +1,24 @@ +{ stdenv +, buildPythonPackage +, fetchPypi +}: + +buildPythonPackage rec { + version = "1.16"; + pname = "numericalunits"; + + src = fetchPypi { + inherit pname version; + sha256 = "71ae8e236c7a223bccefffb670dca68be476dd63b7b9009641fc64099455da25"; + }; + + # no tests + doCheck = false; + + meta = with stdenv.lib; { + homepage = http://pypi.python.org/pypi/numericalunits; + description = "A package that lets you define quantities with unit"; + license = licenses.mit; + maintainers = [ maintainers.costrouc ]; + }; +} diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix index d5cc27851719..eb69c554de89 100644 --- a/pkgs/top-level/python-packages.nix +++ b/pkgs/top-level/python-packages.nix @@ -212,6 +212,8 @@ in { aws-adfs = callPackage ../development/python-modules/aws-adfs { }; + atomman = callPackage ../development/python-modules/atomman { }; + # packages defined elsewhere amazon_kclpy = callPackage ../development/python-modules/amazon_kclpy { }; @@ -284,6 +286,8 @@ in { btchip = callPackage ../development/python-modules/btchip { }; + datamodeldict = callPackage ../development/python-modules/datamodeldict { }; + dbf = callPackage ../development/python-modules/dbf { }; dbfread = callPackage ../development/python-modules/dbfread { }; @@ -428,6 +432,8 @@ in { nvchecker = callPackage ../development/python-modules/nvchecker { }; + numericalunits = callPackage ../development/python-modules/numericalunits { }; + oauthenticator = callPackage ../development/python-modules/oauthenticator { }; ordered-set = callPackage ../development/python-modules/ordered-set { };