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.
The file coefpq.f was updated to be compatible with Python
bindings. The common /Q_ARRAY/ was refactored as a module in
memalloc/modules.f and allocated in memalloc/allocation.f.
epsi-builds/msspec_python3/pipeline/head There was a failure building this commitDetails
cut_cylinder and cut_plane functions were too slow due to
lists modifications in for loops. Implementation was modified
a bit while keeping the same API.
For now, cutting a cylinder for an axis 'x' or 'y' is not supported
anymore.
epsi-builds/msspec_python3/pipeline/head There was a failure building this commitDetails
In get_theta_phi_scan, the malloc keyword was given
with NPH_M=8000. It was enough for most of calculations
but it was also impossible to change in cases where more
memory was needed. The keyword is now removed so that
it can be direclty specified by the user if needed.
The default value was increased to 8000 instead of 2000.
epsi-builds/msspec_python3/pipeline/head This commit looks goodDetails
There is presumably a bug when using pcolormesh
with msspec in matplotlib 3.5.0. The stereo projection
does not work properly and the CPU is rising at 100% as
well as the memory usage. Meanwhile, the event loop of Wx
is affected freezing the GUI. Reverting to last stable 3.4.3
version fixes the problem for now. A true fix should be found
asap.
Sylvain Tricot
Sylvain Tricot
kmdunseath