Merge pull request #66038 from jonringer/bump-ase

python3Packages.ase: 3.17.0 -> 3.18.0

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 ];
+  };
+}

pkgs/development/python-modules/ase/default.nix

@@ -1,6 +1,7 @@
 { lib
 , fetchPypi
 , buildPythonPackage
+, isPy27
 , numpy
 , scipy
 , matplotlib
@@ -11,11 +12,12 @@
 
 buildPythonPackage rec {
   pname = "ase";
-  version = "3.17.0";
+  version = "3.18.0";
+  disabled = isPy27;
 
   src = fetchPypi {
     inherit pname version;
-    sha256 = "1d4gxypaahby45zcpl0rffcn2z7n55dg9lcd8sv6jjsmbbf9vr4g";
+    sha256 = "1ycp1yksysiiz902gn762030sfmirxm950pwpw2rcrpjvq95zm1r";
   };
 
   propagatedBuildInputs = [ numpy scipy matplotlib flask pillow psycopg2 ];

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 { };