fix gcp docs, bump qcng to 19

psi4 · May 12, 2021 · 97583a2 · 97583a2
1 parent 8dcf46e
commit 97583a2
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diff --git a/doc/sphinxman/source/gcp.rst b/doc/sphinxman/source/gcp.rst
@@ -123,20 +123,20 @@ A few practical examples:
 
 If only BSSE/basis set corrections (rather than total energies) are of
 interest, the ``gcp`` program can be run independently of the scf
-through the python function :py:func:`~qcdb.interface_gcp.run_gcp`. (This function
+through the python function :py:func:`~qcdb.Molecule.run_gcp`. (This function
 is the same |PSIfour|/``gcp`` interface that is called during an scf job.)
 This route is much faster than running a HF or DFT energy. ::
 
    molecule nene {
    Ne
    Ne 1 2.0
    }
-   
+
    nene.update_geometry()
 
    >>> E, G = nene.run_gcp('hf3c')
 
    >>> E, G = nene.run_gcp(func='HF3c', verbose=True)
 
-.. autofunction:: qcdb.interface_gcp.run_gcp
+.. autofunction:: qcdb.Molecule.run_gcp
 
diff --git a/external/upstream/qcengine/CMakeLists.txt b/external/upstream/qcengine/CMakeLists.txt
@@ -1,6 +1,6 @@
 if(NOT (${CMAKE_DISABLE_FIND_PACKAGE_qcengine}))
     include(FindPythonModule)
-    find_python_module(qcengine ATLEAST 0.18.0 QUIET)
+    find_python_module(qcengine ATLEAST 0.19.0 QUIET)
 endif()
 
 if(${qcengine_FOUND})
@@ -21,7 +21,7 @@ else()
     ExternalProject_Add(qcengine_external
         DEPENDS qcelemental_external
         BUILD_ALWAYS 1
-        URL https://github.com/MolSSI/QCEngine/archive/v0.18.0.tar.gz
+        URL https://github.com/MolSSI/QCEngine/archive/v0.19.0.tar.gz
         CONFIGURE_COMMAND ""
         UPDATE_COMMAND ""
         BUILD_COMMAND ${Python_EXECUTABLE} setup.py build