python3Packages.qiskit-aqua: 0.7.5 -> 0.8.1

pkgs/development/python-modules/qiskit-aqua/default.nix

@@ -2,8 +2,6 @@
 , pythonOlder
 , buildPythonPackage
 , fetchFromGitHub
-, fetchpatch
-# , cplex
 , cvxpy
 , dlx
 , docplex
@@ -18,6 +16,15 @@
 , quandl
 , scikitlearn
 , yfinance
+  # Optional inputs
+, withTorch ? false
+, pytorch
+, withPyscf ? false
+, pyscf ? null
+, withScikitQuant ? false
+, scikit-quant ? null
+, withCplex ? false
+, cplex ? null
   # Check Inputs
 , ddt
 , pytestCheckHook
@@ -26,30 +33,20 @@
 
 buildPythonPackage rec {
   pname = "qiskit-aqua";
-  version = "0.7.5";
+  version = "0.8.1";
 
-  disabled = pythonOlder "3.5";
+  disabled = pythonOlder "3.6";
 
   # Pypi's tarball doesn't contain tests
   src = fetchFromGitHub {
     owner = "Qiskit";
     repo = "qiskit-aqua";
     rev = version;
-    sha256 = "19sdv7lnc4b1c86rd1dv7pjpi8cmrpzbv7nav0fb899ki8ldqdwq";
+    sha256 = "11qyya3vyq50wpzrzzl8v46yx5p72rhpqhybwn47qgazxgg82r1b";
   };
 
-  # TODO: remove in next release
-  patches = [
-    (fetchpatch {
-      name = "qiskit-aqua-fix-test-issue-1214.patch";
-      url = "https://github.com/Qiskit/qiskit-aqua/commit/284a4323192ac85787b22cbe5f344996fae16f7d.patch";
-      sha256 = "0zl8hqa2fq9ng793x4dhh0ny67nnbjcd8l1cdsaaab4ca1y0xcfr";
-    })
-  ];
-
   # Optional packages: pyscf (see below NOTE) & pytorch. Can install via pip/nix if needed.
   propagatedBuildInputs = [
-    # cplex
     cvxpy
     docplex
     dlx # Python Dancing Links package
@@ -63,7 +60,10 @@ buildPythonPackage rec {
     quandl
     scikitlearn
     yfinance
-  ];
+  ] ++ lib.optionals (withTorch) [ pytorch ]
+  ++ lib.optionals (withPyscf) [ pyscf ]
+  ++ lib.optionals (withScikitQuant) [ scikit-quant ]
+  ++ lib.optionals (withCplex) [ cplex ];
 
   # *** NOTE ***
   # We make pyscf optional in this package, due to difficulties packaging it in Nix (test failures, complicated flags, etc).
@@ -97,8 +97,11 @@ buildPythonPackage rec {
 
   postInstall = "rm -rf $out/${python.sitePackages}/docs";  # Remove docs dir b/c it can cause conflicts.
 
-  checkInputs = [ ddt qiskit-aer pytestCheckHook ];
-  dontUseSetuptoolsCheck = true;
+  checkInputs = [
+    pytestCheckHook
+    ddt
+    qiskit-aer
+  ];
   pythonImportsCheck = [
     "qiskit.aqua"
     "qiskit.aqua.algorithms"
@@ -107,11 +110,11 @@ buildPythonPackage rec {
     "qiskit.ml"
     "qiskit.optimization"
   ];
-  pytestFlagsArray = [
-    # Disabled b/c missing pyscf
+  pytestFlagsArray = lib.optionals (!withPyscf) [
     "--ignore=test/chemistry/test_qeom_ee.py"
     "--ignore=test/chemistry/test_qeom_vqe.py"
     "--ignore=test/chemistry/test_vqe_uccsd_adapt.py"
+    "--ignore=test/chemistry/test_bopes_sampler.py"
   ];
   disabledTests = [
     # Disabled due to missing pyscf
@@ -123,8 +126,10 @@ buildPythonPackage rec {
 
     # Disabling slow tests > 10 seconds
     "TestVQE"
+    "TestOOVQE"
     "TestVQC"
     "TestQSVM"
+    "TestOptimizerAQGD"
     "test_graph_partition_vqe"
     "TestLookupRotation"
     "_vqe"
@@ -151,6 +156,7 @@ buildPythonPackage rec {
     "test_confidence_intervals_00001"
     "test_eoh"
     "test_qasm_5"
+    "test_uccsd_hf"
   ];
 
   meta = with lib; {