Changelog

Version 3.3.0

w2dynamics_interface version 3.3.0 is a compatibility release for TRIQS version 3.3.0 that updates the w2dynamics version to v1.1.5.

We thank all contributors: Thomas Hahn, Alexander Hampel, Henri Menke, Hugo U. R. Strand, Nils Wentzell

Find below an itemized list of changes in this release.

General

  • Conjugate frequency relation converter

  • Install additional dependencies for Ubuntu builds

  • Merge latest version of app4triqs skeleton

cmake

  • Update w2ynamics version to v1.1.5 and adjust Patch file

  • Include general cleanup in w2dynamics Python find logic

Version 3.2.0

w2dynamics_interface version 3.2.0 is a compatibility release for TRIQS version 3.2.0 that introduces worm sampling support for measuring two-particle Green functions.

We thank all contributors: Thomas Hahn, Alexander Hampel, Dylan Simon, Hugo U. R. Strand, Nils Wentzell

Find below an itemized list of changes in this release.

General

  • Add g4 worm sampling support

  • Expose Delta_infty as done in triqs_cthyb

  • Fix F2PY module compilation with clang 16+

  • Fix doc/guide/aim.py script and documentation build by adding aim_solution.h5

  • Add CXXFLAGS to github actions for clang

cmake

  • Update to more recent w2dynamics commit

jenkins

  • Work around permission issue in make install

fix

  • temporary use fixed fork of w2dyn and set manuall cflags for clang16

  • numpy complex type

  • Update 2pGF reference test data after removal of Block2Gf.note

Version 3.1.0

w2dynamics_interface version 3.1.0 is a compatibility release for TRIQS version 3.1.0 that

  • uses the latest app4triqs/3.1.x skeleton

  • switches documentation to read-the-docs theme

  • improves ghactions and jenkins configuration

We thank all contributors: Alexander Hampel, Alexander Kowalski, Dylan Simon, Nils Wentzell

Find below an itemized list of changes in this release.

General

  • After gcc stdlib update in add reference data vor gcc version 11+

  • Manual porting to triqs 3.1 + nda + meshes

  • Adjust for new gf_struct type

  • Update to v1.1.1 of w2dynamics and update test ref files

  • Add worm_components parameter, limit test to subset of components

  • Make one-particle Green’s function measurement optional

  • Add diagonalized version of two-orbital test for 2p-GF

  • Adapt to triqs 3, w2dynamics 1.1, and make code less redundant

  • Converter and solver interface for the two-particle Green’s function

  • Use different ref test data when compiling with libcxx

doc

  • Add new parameters and short instructions on 2p-GF measurement

cmake

  • Let cmake of w2dynamics detect Fortran compiler

  • Clone from main w2dynamics repository and apply w2dynamics.patch

  • Detect use of libcxx through try_compile

CI

  • Enable ghactions builds for unstable

  • Specify BLAS_ROOT and LAPACK_ROOT for OSX builds

  • Build 2pgf branch against triqs/unstable

Version 3.0.0

w2dynamics_interface version 3.0.0 is a compatibility release for TRIQS version 3.0.0 that

  • introduces compatibility with Python 3 (Python 2 no longer supported)

  • fixes several application issues

We provide a more detailed description of the changes below.

General

  • Update to latest version of w2dynamics (d4f8b6b)

  • Bump scipy requirement

  • Adjust requirements.txt to guarantee up-to-date numpy/scipy/h5py

  • Get banner and version string directly from w2dynamics

  • Reduce precision of first comparison in 2orb_Discrete_Bath

  • Update reference data

jenkins

  • Build only on one core due to dependency problems in w2dyn cmake

  • Disable osx-clang build as libcxx usage leads to different rng sequences -> test failures

  • Unset CXXFLAGS for docker-builds to use libstdcxx over libcxx, build in serial mode

  • remove osx-gcc FC=gfortran-7

cmake

  • In Dockerfile unset CXXFLAGS to always build using libstdc++

  • Do not set BLAS/LAPACK for w2dynamics

  • Use latest version of w2dynamics

  • Add FORTRAN to list of languages

solver

  • Respect new tuple order of solve_component result

  • Ensure gtau is processed as DistributedSample in all cases

converters

  • Let converter take DistributedSample instead of dict

py3

  • Port all python files to Python3

  • Run port_to_triqs3 porting script

jenkins,py3

  • install nfft from el7 for centos

Contributors: Philipp Dumitrescu, Alexander Kowalski, Dylan Simon, Nils Wentzell

Version 2.2.0

This is the initial release of w2dynamics_interface, a lightweight interface to the w2dynamics cthyb code. It is compatible against TRIQS Version 2.2.