diff --git a/pkgs/development/python-modules/ase/3.17.nix b/pkgs/development/python-modules/ase/3.17.nix new file mode 100644 index 000000000000..3a466170c77c --- /dev/null +++ b/pkgs/development/python-modules/ase/3.17.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 ]; + }; +} diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix index 0896322e5105..224075a528ee 100644 --- a/pkgs/top-level/python-packages.nix +++ b/pkgs/top-level/python-packages.nix @@ -183,7 +183,10 @@ in { asciitree = callPackage ../development/python-modules/asciitree { }; - ase = callPackage ../development/python-modules/ase { }; + ase = if isPy27 then + callPackage ../development/python-modules/ase/3.17.nix { } + else + callPackage ../development/python-modules/ase { }; asn1crypto = callPackage ../development/python-modules/asn1crypto { };