update headers to 2022 and version to 2.3.0

theochem · Jul 14, 2022 · e8f9124 · e8f9124
1 parent 0980bc9
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diff --git a/HEADER b/HEADER
@@ -1,5 +1,5 @@
 HORTON: Helpful Open-source Research TOol for N-fermion systems.
-Copyright (C) 2011-2017 The HORTON Development Team
+Copyright (C) 2011-2022 The HORTON Development Team
 
 This file is part of HORTON.
 

diff --git a/conda/build.sh b/conda/build.sh
@@ -1,3 +1,4 @@
 #!/bin/bash -xe
 
 ./setup.py install --single-version-externally-managed --record=record.txt
+#python -m pip install . -vv
diff --git a/conda/conda_build_config.yaml b/conda/conda_build_config.yaml
@@ -1,6 +1,5 @@
 CONDA_BUILD_SYSROOT:
   - /opt/MacOSX10.9.sdk  # [osx]
 python:
-  - 3.7
   - 3.8
   - 3.9
diff --git a/conda/meta.yaml b/conda/meta.yaml
@@ -28,6 +28,7 @@ requirements:
     - matplotlib
     - libxc
     - libint
+    - pip
   run:
     - python
     - numpy

diff --git a/data/grids/tv-13.7-3.txt b/data/grids/tv-13.7-3.txt
@@ -1,6 +1,6 @@
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/data/grids/tv-13.7-4.txt b/data/grids/tv-13.7-4.txt
@@ -1,6 +1,6 @@
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/data/grids/tv-13.7-5.txt b/data/grids/tv-13.7-5.txt
@@ -1,6 +1,6 @@
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/data/grids/tv-13.7-6.txt b/data/grids/tv-13.7-6.txt
@@ -1,6 +1,6 @@
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/data/grids/tv-13.7-7.txt b/data/grids/tv-13.7-7.txt
@@ -1,6 +1,6 @@
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/data/grids/tv-13.7-8.txt b/data/grids/tv-13.7-8.txt
@@ -1,6 +1,6 @@
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/doc/common.py b/doc/common.py
@@ -1,6 +1,6 @@
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/doc/conf.py b/doc/conf.py
@@ -1,6 +1,6 @@
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/doc/index.rst b/doc/index.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/intro_citing_horton.rst b/doc/intro_citing_horton.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/intro_contact_information.rst b/doc/intro_contact_information.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/intro_horton_overview.rst b/doc/intro_horton_overview.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/intro_license_information.rst b/doc/intro_license_information.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/releaseinfo.py b/doc/releaseinfo.py
@@ -1,6 +1,6 @@
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #
@@ -34,7 +34,7 @@ def transform_git_date(s):
 def get_releaseinfo():
     """Retrieve release info from git and also write releaseinfo.json."""
     # Default values in case the git commands don't work
-    version = '2.1.0'
+    version = '2.3.0'
     describe = '%s-nogit' % version
     release_date = '??? ??, ????'
     doc_release_date = release_date

diff --git a/doc/tag_source_files.py b/doc/tag_source_files.py
@@ -1,7 +1,7 @@
 #!/usr/bin/env python
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/doc/tech_api.rst b/doc/tech_api.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_dev.rst b/doc/tech_dev.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_dev_checklist.rst b/doc/tech_dev_checklist.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_dev_citing_papers.rst b/doc/tech_dev_citing_papers.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_dev_cython.rst b/doc/tech_dev_cython.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_dev_documentation.rst b/doc/tech_dev_documentation.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_dev_examples.rst b/doc/tech_dev_examples.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_dev_git.rst.template b/doc/tech_dev_git.rst.template
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_dev_unit_tests.rst b/doc/tech_dev_unit_tests.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_ref.rst b/doc/tech_ref.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_ref_acronyms.rst b/doc/tech_ref_acronyms.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_ref_contributors.rst b/doc/tech_ref_contributors.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_ref_dictionary.rst b/doc/tech_ref_dictionary.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_ref_file_formats.rst b/doc/tech_ref_file_formats.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_ref_gaussian_basis.rst b/doc/tech_ref_gaussian_basis.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_ref_grids.rst b/doc/tech_ref_grids.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_ref_release_history.rst b/doc/tech_ref_release_history.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/tech_ref_release_planning.rst b/doc/tech_ref_release_planning.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :

diff --git a/doc/update_basis.py b/doc/update_basis.py
@@ -1,7 +1,7 @@
 #!/usr/bin/env python
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/doc/update_functionals.py b/doc/update_functionals.py
@@ -1,7 +1,7 @@
 #!/usr/bin/env python
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/doc/update_grids.py b/doc/update_grids.py
@@ -1,7 +1,7 @@
 #!/usr/bin/env python
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/doc/update_hf_dft_examples.py b/doc/update_hf_dft_examples.py
@@ -1,7 +1,7 @@
 #!/usr/bin/env python
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/doc/update_install_doc.py b/doc/update_install_doc.py
@@ -1,7 +1,7 @@
 #!/usr/bin/env python
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/doc/update_lib_doc.py b/doc/update_lib_doc.py
@@ -1,7 +1,7 @@
 #!/usr/bin/env python
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/doc/update_literature.py b/doc/update_literature.py
@@ -1,7 +1,7 @@
 #!/usr/bin/env python
 # -*- coding: utf-8 -*-
 # HORTON: Helpful Open-source Research TOol for N-fermion systems.
-# Copyright (C) 2011-2017 The HORTON Development Team
+# Copyright (C) 2011-2022 The HORTON Development Team
 #
 # This file is part of HORTON.
 #

diff --git a/doc/user_download_and_install.rst b/doc/user_download_and_install.rst
@@ -1,6 +1,6 @@
 ..
     : HORTON: Helpful Open-source Research TOol for N-fermion systems.
-    : Copyright (C) 2011-2017 The HORTON Development Team
+    : Copyright (C) 2011-2022 The HORTON Development Team
     :
     : This file is part of HORTON.
     :