The user can now provide a 'pipeline' function with only '**kwargs' in
arguments. It is more flexible and easier to write. The 'sweep_index'
keyword is always automatically added, so the 'passindex' option has
been removed since it was redundant with the index of the final
dataframe object.
The user-defined 'pipeline' function can now return anything. It is
no longer limited to ([x,],[y,]) format.
Makefile has a new 'nogui' target to build msspec without
any graphical user interface. Exporting data to text files
and *.png images are still possible. Useful for installing
on headless machines or if the gui is too difficult to
install (due to WxPython).
It is possible to install msspec without gui, which
reduces a lot the number of dependencies. It is still possible
to export the results as *.png or to view the cluster with
the ase gui.
No "setuptools-scm" anymore. The version is read by a subprocess
command or using package metadata or the VERSION file.
I still don't know if this is my last attempt to make the
version number reliable...
This file was created for debugging purposes by the renormalization
procedure. But since it had one line per diffusion path, its size
could rapidly become an issue.
The line is simply commented in the code.
which writes the eigenvalues to a fortran stream file called
eigenvalues.dat, facilitating reading by a python script.
Added call to save_eigenvalues in src/msspec/spec/fortran/eig/common/eig_mat_ms.f
When building wxPython, the "attrdict" package is needed, but is
now incompatible with Python > 3.10, due to the "collections" package.
The workaround is to ship a patched version of "attrdict" along with
msspec since "attrdict" isn't developped anylonger.
* The numpy.alen() function is deprecated. We use len() instead
* The use of pkg_resources is discouraged. We use importlib.metadata
instead. I also removed setuptools_scm get_version. I switch to
a simple call to "git describe", easier now that we use git flow
* The build fails with python3.10 if compiling wx from sources.
A fix in the Makefile will be proposed in a future commit.
This is similar to a "devel" installation, but only the
virtualenv is created and the msspec package is installed
inside (not in edit mode). Bindings to the Fortran code
are not built.
It is intended to use msspec functions to create clusters but
without having to install wx.
The polarization keyword may be None, 'linear_qOz', 'linear_xOy' or
'circular'. The IPOL parameter in spec.dat is set accordingly to
0, 1, -1 or 2 respectively.
epsi-builds/msspec_python3/pipeline/head There was a failure building this commitDetails
This file was updated to be compatible with Python bindings.
The begining of the file is identical to the series expansion
version, so it was copied from there.
The file mpis.f was updated to be compatible with Python
bindings. The module CORREXP_MOD was created and is now
allocated in memalloc/allocation.f. The parameter NLMM was
added to dim_mod.f.
Sylvain Tricot
Sylvain Tricot
kmdunseath