Add DMFT-LAB to requirements [ + tidy up ]

+ Scale back of the role of PhaseMap in all the READMEs
+ No more KMH-DMFT_sh module: we don't like bash-scripting, let's face it.

.gitattributes

@@ -1,4 +1,4 @@
 # Auto detect text files and perform LF normalization
 * text=auto
-# Language override for damn matlab syntax recognition
+# Language override for matlab syntax recognition
 *.m linguist-language=MATLAB

.gitignore

@@ -13,7 +13,7 @@ used.*
 *.conf
 *.nint.*
 
-# Pictures
+# Pictures...
 
 *.png
 *.svg
@@ -86,37 +86,6 @@ octave-workspace
 *.mat
 
 
-### Julia #############################################################
-# Created by https://www.toptal.com/developers/gitignore/api/julia    #
-# Edit at https://www.toptal.com/developers/gitignore?templates=julia #
-#######################################################################
-
-# Files generated by invoking Julia with --code-coverage
-*.jl.cov
-*.jl.*.cov
-
-# Files generated by invoking Julia with --track-allocation
-*.jl.mem
-
-# System-specific files and directories generated by the BinaryProvider and BinDeps packages
-# They contain absolute paths specific to the host computer, and so should not be committed
-deps/deps.jl
-deps/build.log
-deps/downloads/
-deps/usr/
-deps/src/
-
-# Build artifacts for creating documentation generated by the Documenter package
-docs/build/
-docs/site/
-
-# File generated by Pkg, the package manager, based on a corresponding Project.toml
-# It records a fixed state of all packages used by the project. As such, it should not be
-# committed for packages, but should be committed for applications that require a static
-# environment.
-Manifest.toml
-
-
 ### Python #############################################################
 # Created by https://www.toptal.com/developers/gitignore/api/python    #
 # Edit at https://www.toptal.com/developers/gitignore?templates=python #

KMH-DMFT/KMH-DMFT_py/README.md → KMH-DMFT/KMH-DMFT_f2py/README.md

@@ -2,6 +2,6 @@
 Running QcmPlab DMFT codes from Python
 
 ## TO DO: interface to [PhaseMap](https://github.com/greschd/PhaseMap), to enable efficient phase-diagram spans.
-- [ ] Thoroughly test the python API provided by [QcmPlab](https://github.com/QcmPlab).
-- [ ] Understand if Im G(0) could serve as a phase-label, in the sense given in PhaseMap.
+- [ ] Thoroughly test the python API provided by [QcmPlab](https://github.com/QcmPlab). [**currently there is no stable API**]
+- [ ] Understand how to define phase-labels, in the sense given in PhaseMap.
 - [ ] Understand how to deal with the need of restart inputs from near points, within DMFT

KMH-DMFT/README.md

@@ -5,10 +5,8 @@ Based on [QcmPlab](https://github.com/QcmPlab) libraries.
 
 - [KMH-DMFT_f90](./KMH-DMFT_f90) contains the main `Fortran` programs, together with an appropriate makefile.
 
-- [KMH-DMFT_mat](./KMH-DMFT_mat) defines a very basic set of workflows for exploring interaction-driven transitions, to different degrees of "automatization" for the control of simulation parameters; within `MATLAB`.
+- [KMH-DMFT_mat](./KMH-DMFT_mat) collects some `MATLAB` scripts, providing various workflows for interaction-driven transition lines. Based on [DMFT-LAB](https://github.com/bellomia/DMFT-LAB).
 
-- [KMH-DMFT_py](./KMH-DMFT_py) will be the home for an interface to the `Python` package [PhaseMap](https://github.com/greschd/PhaseMap), allowing for smart&fast evaluations of multiparametric phase diagrams. Thorough testing of the python API provided in the [QcmPlab DMFT-ED library](https://github.com/QcmPlab/LIB_DMFT_ED) is a prerequisite.
-
-- [KMH-DMFT_sh](./KMH-DMFT_sh) is a database of oldie-but-goldie `BASH` scripts, controlling traditional phase diagram spans & the like.
+- [KMH-DMFT_f2py](./KMH-DMFT_f2py) will be the home for an interface to the `Python` package [PhaseMap](https://github.com/greschd/PhaseMap), allowing for smart & fast evaluations of multiparametric phase diagrams. Thorough testing of the python API provided in the [QcmPlab DMFT-ED library](https://github.com/QcmPlab/LIB_DMFT_ED) is a prerequisite. [**currently there is no stable API**]
 
 - [KMH-DMFT_hpc](./KMH-DMFT_hpc) gives HPC workflows, interfacing all the scripts with the `SLURM` resource manager (intended for [Ulysses](https://www.itcs.sissa.it/services/computing/hpc), primarly).

KMH-DMFT/Testing/Plotting_Test/PostAnalyzeTest.m → KMH-DMFT/Testing/PostAnalyzeTest.m

@@ -4,7 +4,7 @@
 ignUlist = false;
 % We don't have a SOI-values list, but we can obtain that by just
 % inspecting the subdirectories...
-[SOI_list, SOI_names] = get_list('SOI');
+[SOI_list, SOI_names] = postDMFT.get_list('SOI');
 Nlines = length(SOI_list);
 for iSOI = 1:Nlines
     SOIDIR = SOI_names(iSOI);
@@ -15,7 +15,7 @@
     else
         U_list = [];
     end
-    [ids,obs,U_list] = extract_line(U_list); fprintf('..DONE\n');
+    [ids,obs,U_list] = postDMFT.extract_line(U_list); fprintf('..DONE\n');
     save('observables_line.mat','ids','obs','U_list');
     cd('..');
 end

KMH-MF/README.md

@@ -4,6 +4,6 @@ Mean-Field treatment of the Kane-Mele-Hubbard model.
 
 - [KMH-MF_f90](./KMH-MF_f90) contains the main `Fortran` program, together with an appropriate makefile
 
-- [KMH-MF_mat](./KMH-MF_mat) collects some `MATLAB` scripts, providing a basic workflow for transition lines and phase diagrams.
+- [KMH-MF_mat](./KMH-MF_mat) collects some `MATLAB` scripts, providing a basic workflow for transition lines and phase diagrams. Based on [DMFT-LAB](https://github.com/bellomia/DMFT-LAB).
 
-- [KMH-MF_f2py](./KMH-MF_f2py) provides an interface to the `Python` package [PhaseMap](https://github.com/greschd/PhaseMap), allowing for a smart&fast evaluation of the phase diagrams.
+- [KMH-MF_f2py](./KMH-MF_f2py) provides an interface to the `Python` package [PhaseMap](https://github.com/greschd/PhaseMap), allowing for a smart evaluation of the phase diagram.

README.md

@@ -1,17 +1,13 @@
 # KMHproject
-A collection of programs and scripts to solve and analyze the Kane-Mele-Hubbard model in a variety of (dynamical-)mean-field settings. Based on the [QcmPlab](https://github.com/QcmPlab) DMFT-ED libraries.
+A collection of programs and scripts to solve and analyze the Kane-Mele-Hubbard model in a variety of (dynamical-)mean-field settings. Based on the [QcmPlab](https://github.com/QcmPlab) libraries.
+
+### Requirements
+* [SciFortran](https://github.com/QcmPlab/SciFortran.git), with all the dependencies listed therein.
+* [DMFT-tools](https://github.com/QcmPlab/DMFTtools.git), which depends on SciFortran.
+* [DMFT-ED](https://github.com/QcmPlab/LIB_DMFT_ED.git), which depends on both SciFortran and DMFT-tools.
+* [DMFT-LAB](https://github.com/bellomia/DMFT-LAB), with a working installation of MATLAB / GNU Octave.
+* \< optional[^1] \> [PhaseMap](https://github.com/greschd/PhaseMap), with all its [requirements](https://github.com/greschd/PhaseMap/blob/develop/setup.cfg).
+
+
+[^1]: Currently used only for the [KMH-MF_f2py](KMH-MF/KMH-MF_f2py) module. An alternative workflow, based on DMFT-LAB, is provided by the [KMH-MF_mat](KMH-MF/KMH-MF_mat) module.
 
-### Dependencies
-* gfortran > 4.9x **OR** ifort  > 13.0
-* cmake > 3.0.0 
-* lapack
-* blas
-* openMPI
-* scalapack
-* [SciFortran](https://github.com/QcmPlab/SciFortran.git)
-* [DMFT-tools](https://github.com/QcmPlab/DMFTtools.git)
-* [DMFT-ED](https://github.com/QcmPlab/LIB_DMFT_ED.git)
-* Python3
-* [PhaseMap](https://github.com/greschd/PhaseMap)
-* MATAB R2020b
-* Julia 1.5.2