Merge pull request #1 from manoelmarques/release

Prepare 0.1.0 Release
qiskit-community · Nov 7, 2022 · 8260eed · 8260eed
2 parents c40cf8a + 75388df
commit 8260eed
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Showing 6 changed files with 38 additions and 36 deletions.
diff --git a/.pylintdict b/.pylintdict
@@ -10,6 +10,7 @@ fci
 fcisolver
 filename
 formatter
+github
 gto
 hamiltonian
 https

diff --git a/docs/_templates/layout.html b/docs/_templates/layout.html
@@ -92,10 +92,6 @@
             <a href="{{ pathto('getting_started') }}">Getting started</a>
           </li>
 
-          <li {%- if pagename == 'tutorials' %} class="active"{% endif %}>
-            <a href="{{ theme_variables.external_urls['tutorials'] }}" target="_blank">Tutorials</a>
-          </li>
-
           <li>
             <a href="{{ theme_variables.external_urls['partners'] }}" target="_blank">Partners</a>
           </li>

diff --git a/docs/getting_started.rst b/docs/getting_started.rst
@@ -73,25 +73,6 @@ specific to Qiskit Nature PySCF.
 
 ----
 
-Ready to get going?...
-======================
-
-.. raw:: html
-
-   <div class="tutorials-callout-container">
-      <div class="row">
-
-.. customcalloutitem::
-   :description: Find out about Qiskit Nature PySCF.
-   :header: Dive into the tutorials
-   :button_link:  ./tutorials/index.html
-   :button_text: Qiskit Nature PySCF tutorials
-
-.. raw:: html
-
-      </div>
-   </div>
-
 
 .. Hiding - Indices and tables
    :ref:`genindex`

diff --git a/docs/index.rst b/docs/index.rst
@@ -6,20 +6,19 @@ Overview
 ==============
 
 **Qiskit Nature PySCF** is a third-party plugin of Qiskit Nature + PySCF.
+To get started we suggest looking at the README on Github `<https://github.com/qiskit-community/qiskit-nature-pyscf/blob/main/README.md>`_.
+
 
 Next Steps
 =================================
 
 `Getting started <getting_started.html>`_
 
-`Tutorials <tutorials/index.html>`_
-
 .. toctree::
     :hidden:
 
     Overview <self>
     Getting Started <getting_started>
-    Tutorials <tutorials/index>
     API Reference <apidocs/qiskit_nature_pyscf>
     Release Notes <release_notes>
     GitHub <https://github.com/qiskit-community/qiskit-nature-pyscf>

diff --git a/docs/tutorials/index.rst b/docs/tutorials/index.rst
diff --git a/releasenotes/notes/0.1/release-0.1.0-c2114e7d13fde810.yaml b/releasenotes/notes/0.1/release-0.1.0-c2114e7d13fde810.yaml
@@ -0,0 +1,35 @@
+---
+features:
+  - |
+    First release of Qiskit Nature PySCF with the class
+    :class:`qiskit_nature_pyscf.runtime.QiskitSolver`
+    
+    .. code-block:: python
+    
+      from pyscf import gto, scf, mcscf
+      
+      from qiskit.algorithms.optimizers import SLSQP
+      from qiskit.primitives import Estimator
+      from qiskit_nature.second_q.algorithms import GroundStateEigensolver, VQEUCCFactory
+      from qiskit_nature.second_q.circuit.library import UCCSD
+      from qiskit_nature.second_q.mappers import ParityMapper, QubitConverter
+      
+      from qiskit_nature_pyscf import QiskitSolver
+      
+      mol = gto.M(atom="Li 0 0 0; H 0 0 1.6", basis="sto-3g")
+      
+      h_f = scf.RHF(mol).run()
+      
+      norb, nelec = 2, 2
+      
+      cas = mcscf.CASCI(h_f, norb, nelec)
+      
+      converter = QubitConverter(ParityMapper(), two_qubit_reduction=True)
+      
+      vqe = VQEUCCFactory(Estimator(), UCCSD(), SLSQP())
+      
+      algorithm = GroundStateEigensolver(converter, vqe)
+      
+      cas.fcisolver = QiskitSolver(algorithm)
+      
+      cas.run()