diff options
Diffstat (limited to 'nixpkgs/pkgs/development/python-modules/ase')
-rw-r--r-- | nixpkgs/pkgs/development/python-modules/ase/default.nix | 36 |
1 files changed, 36 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/development/python-modules/ase/default.nix b/nixpkgs/pkgs/development/python-modules/ase/default.nix new file mode 100644 index 000000000000..3a466170c77c --- /dev/null +++ b/nixpkgs/pkgs/development/python-modules/ase/default.nix @@ -0,0 +1,36 @@ +{ lib +, fetchPypi +, buildPythonPackage +, numpy +, scipy +, matplotlib +, flask +, pillow +, psycopg2 +}: + +buildPythonPackage rec { + pname = "ase"; + version = "3.17.0"; + + src = fetchPypi { + inherit pname version; + sha256 = "1d4gxypaahby45zcpl0rffcn2z7n55dg9lcd8sv6jjsmbbf9vr4g"; + }; + + propagatedBuildInputs = [ numpy scipy matplotlib flask pillow psycopg2 ]; + + checkPhase = '' + $out/bin/ase test + ''; + + # tests just hang most likely due to something with subprocesses and cli + doCheck = false; + + meta = with lib; { + description = "Atomic Simulation Environment"; + homepage = https://wiki.fysik.dtu.dk/ase/; + license = licenses.lgpl21Plus; + maintainers = with maintainers; [ costrouc ]; + }; +} |