diff options
| author | Robert Schütz <dev@schuetz-co.de> | 2021-05-08 10:05:23 +0200 |
|---|---|---|
| committer | Jonathan Ringer <jonringer@users.noreply.github.com> | 2021-05-08 10:23:55 -0700 |
| commit | e2cdb2fcc03020c6ddcb88c85ea618170664c0fc (patch) | |
| tree | 7781441f7bf19abbfdd1deaaa7cd75436d9a3dca /pkgs | |
| parent | 726af289ceab2be254204886458f9c952388c23c (diff) | |
python3Packages.castepxbin: init at 0.1.0
Diffstat (limited to 'pkgs')
| -rw-r--r-- | pkgs/development/python-modules/castepxbin/default.nix | 37 | ||||
| -rw-r--r-- | pkgs/top-level/python-packages.nix | 2 |
2 files changed, 39 insertions, 0 deletions
diff --git a/pkgs/development/python-modules/castepxbin/default.nix b/pkgs/development/python-modules/castepxbin/default.nix new file mode 100644 index 0000000000000..3c4466648633f --- /dev/null +++ b/pkgs/development/python-modules/castepxbin/default.nix @@ -0,0 +1,37 @@ +{ lib +, buildPythonPackage +, fetchFromGitHub +, numpy +, scipy +, pymatgen +, pytestCheckHook +}: + +buildPythonPackage rec { + pname = "castepxbin"; + version = "0.1.0"; + + src = fetchFromGitHub { + owner = "zhubonan"; + repo = "castepxbin"; + rev = "v${version}"; + sha256 = "16wnd1mwhl204d1s3har2fhyhyjg86sypg00bj812dxk8zixxszf"; + }; + + propagatedBuildInputs = [ + numpy + scipy + pymatgen + ]; + + checkInputs = [ + pytestCheckHook + ]; + + meta = with lib; { + description = "A collection of readers for CASTEP binary outputs"; + homepage = "https://github.com/zhubonan/castepxbin"; + license = licenses.mit; + maintainers = with maintainers; [ dotlambda ]; + }; +} diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix index 01f336c914f71..e21476269a56f 100644 --- a/pkgs/top-level/python-packages.nix +++ b/pkgs/top-level/python-packages.nix @@ -1239,6 +1239,8 @@ in { cassandra-driver = callPackage ../development/python-modules/cassandra-driver { }; + castepxbin = callPackage ../development/python-modules/castepxbin { }; + casttube = callPackage ../development/python-modules/casttube { }; catalogue = callPackage ../development/python-modules/catalogue { }; |