Convert the main package to a more permissive BSD license

Due to the strict GPLv3 we convert to a more permissive BSD 3-clause license.
By doing so, we have removed all GPL related libraries from the code. Those can be installed with the libs package which is available separately under the GPL license.

.prospector.yaml

@@ -25,3 +25,5 @@ pep257:
  - D407
  - D412
  - D413
+ - D416
+ - D415

MANIFEST.in

@@ -3,11 +3,6 @@ include setup.json
 include logging.yaml
 include src/t4me/spglib_interface/*.hpp
 include src/t4me/spglib_interface/spglib.cpp
-include src/t4me/gsl_interface/gsl.c
-include src/t4me/einspline_interface/*.hpp
-include src/t4me/einspline_interface/einspline.cpp
-include src/t4me/cubature_wildmagic_interface/*.hpp
-include src/t4me/cubature_wildmagic_interface/cubature_wildmagic.cpp
 include src/t4me/wildmagic_interface/*.hpp
 include src/t4me/wildmagic_interface/wildmagic.cpp
 include src/t4me/skw_interface/*.hpp

README.rst

@@ -39,7 +39,6 @@ Features
  - Parabolic bands
  - Parabolic bands pluss a quartic correction
  - Kane type of bands
- - Tight binding bands
 
  - Read from first-principle codes
 
@@ -73,16 +72,13 @@ Features
 
  - Trapezoidal, Simpson and Romberg integration of a static
  input grid
- - Linear tetrahedron method
+ - Linear tetrahedron method (Spglib needed)
  - Weighed sum method
- - Cubature integration with on-the-fly interpolation
 
 - Interpolation of the band structure and scattering properties:
 
  - All routines available in SciPy
  - GeometricTools/WildMagic regular grid routines
- - The RGF-ML routine available in ALGLIB
- - Einspline
 
 
 Structure
@@ -110,6 +106,5 @@ Research Council, Thelma project (228854).
 License
 *******
 
-This project is licensed under the GNU GPLv3. Please see
-``LICENSE.md`` included in the root folder of T4ME
-for additional details.
+This project is licensed under the BSD 3-clause license. Please see
+``LICENSE.md`` included in the root folder of T4ME for additional details.

docs/bparameters.rst

@@ -73,14 +73,6 @@ possible:
  where the effective mass :math:`m` is set by ``effmass`` and
  the correction factor :math:`\\alpha` is set by ``a``.
 
-- `3` - tight-binding bands if which the relation depends on the
- specific model used, but is typically a combination of cosines
- and sines. The tight-binding model is generated in PythTB using
- the additional parameters ``torb``, ``tonsite``,
- ``tadjust_onsite_zero`` and ``thop``. Users should consult the
- `PythTB manual <http:https://physics.rutgers.edu/pythtb/usage.html>`_
- for additional details.
-
 No band folding is performed, except for the tight-binding case.
 It is important thus to scale the unit cell such that there is
 enough band coverage within the requested region of the chemical
@@ -572,52 +564,3 @@ Example:
  emission: False
 
 Use absorption, i.e. a phonon is absorbed in the scattering event.
-
-Tight binding related parameters
---------------------------------
-
-In the following the parameters which set up the tight binding
-parameters are explained. They are only relevant if ``type`` is set
-to `3`. PythTB is used to set up the model. Please consult
-`PythTB manual <http:https://physics.rutgers.edu/pythtb/usage.html>`_
-for additional details.
-
-``torb``
-~~~~~~~~
-The direct coordinate of each tight binding orbital.
-
-Example:
-::
-
- torb: [[0.0,0.0,0.0]]
-
-A tight binding orbital is :math:`\\Gamma` centered.
-
-``tonsite``
-~~~~~~~~~~~
-The onsite energies for each orbital in units of eV.
-
-Example:
-::
-
- tonsite: [0.0]
-
-The onsite energy of the first orbital is set at 0.0 eV.
-
-``thop``
-~~~~~~~~
-A list of each hopping term, where each term has the format
-
-| [
-| amplitude in eV, indexi, indexj, indexR
-| ]
-
-as described in the
- `PythTB manual <http:https://physics.rutgers.edu/pythtb/usage.html>`_
-
-Example:
-::
-
- thop: [[-0.5, 0, 0, [1, 0, 0]],
- [-0.5, 0, 0, [0, 1, 0]],
- [-0.5, 0, 0, [0, 0, 1]]]

docs/conf.py

@@ -312,4 +312,4 @@
  # other settings go here
 }
 
-exclude_patterns = ['build', 'setup.*', 'gsl', 'constants']
+exclude_patterns = ['build', 'setup.*', 'constants']