Merge branch 'master' into TimeEvolved-WindowsMPS

Basis merge of master. The following things were hastily merged:

WindowArray (relax the vector typing?)
expectation value for window stuff
tests

.github/workflows/CI.yml

@@ -21,7 +21,7 @@ jobs:
       fail-fast: false
       matrix:
         version:
-          - '1.6' # LTS version
+          - '1.8' # LTS version
           - '1' # automatically expands to the latest stable 1.x release of Julia
         os:
           - ubuntu-latest
@@ -41,13 +41,13 @@ jobs:
         with:
           version: ${{ matrix.version }}
           arch: ${{ matrix.arch }}
-      - uses: julia-actions/cache@v1
+      - uses: julia-actions/cache@v2
       - uses: julia-actions/julia-buildpkg@latest
       - uses: julia-actions/julia-runtest@latest
         env:
           JULIA_NUM_THREADS: 4
       - uses: julia-actions/julia-processcoverage@v1
-      - uses: codecov/codecov-action@v4
+      - uses: codecov/codecov-action@v5
         env:
           CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
         with:
@@ -71,7 +71,7 @@ jobs:
         with:
           version: ${{ matrix.version }}
           arch: ${{ matrix.arch }}
-      - uses: julia-actions/cache@v1
+      - uses: julia-actions/cache@v2
       - uses: julia-actions/julia-buildpkg@latest
       - uses: julia-actions/julia-runtest@latest
         env:

.github/workflows/CompatHelper.yml

@@ -1,18 +1,45 @@
 name: CompatHelper
-
 on:
   schedule:
     - cron: 0 0 * * *
   workflow_dispatch:
-
+permissions:
+  contents: write
+  pull-requests: write
 jobs:
   CompatHelper:
     runs-on: ubuntu-latest
     steps:
-      - name: Pkg.add("CompatHelper")
-        run: julia -e 'using Pkg; Pkg.add("CompatHelper")'
-      - name: CompatHelper.main()
+      - name: Check if Julia is already available in the PATH
+        id: julia_in_path
+        run: which julia
+        continue-on-error: true
+      - name: Install Julia, but only if it is not already available in the PATH
+        uses: julia-actions/setup-julia@v2
+        with:
+          version: '1'
+          arch: ${{ runner.arch }}
+        if: steps.julia_in_path.outcome != 'success'
+      - name: "Add the General registry via Git"
+        run: |
+          import Pkg
+          ENV["JULIA_PKG_SERVER"] = ""
+          Pkg.Registry.add("General")
+        shell: julia --color=yes {0}
+      - name: "Install CompatHelper"
+        run: |
+          import Pkg
+          name = "CompatHelper"
+          uuid = "aa819f21-2bde-4658-8897-bab36330d9b7"
+          version = "3"
+          Pkg.add(; name, uuid, version)
+        shell: julia --color=yes {0}
+      - name: "Run CompatHelper"
+        run: |
+          import CompatHelper
+          CompatHelper.main()
+        shell: julia --color=yes {0}
         env:
           GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
-          COMPATHELPER_PRIV: ${{ secrets.DOCUMENTER_KEY }}
-        run: julia -e 'using CompatHelper; CompatHelper.main()'
+          # COMPATHELPER_PRIV: ${{ secrets.DOCUMENTER_KEY }}
+          # COMPATHELPER_PRIV: ${{ secrets.COMPATHELPER_PRIV }}

.github/workflows/Documentation.yml

@@ -1,5 +1,9 @@
 name: Documentation
 
+permissions:
+  contents: write
+  pages: write
+
 on:
   push:
     branches:

.github/workflows/Format.yml

@@ -5,4 +5,4 @@ jobs:
   code-style:
     runs-on: ubuntu-latest
     steps:
-      - uses: julia-actions/julia-format@v2
+      - uses: julia-actions/julia-format@v3

.gitignore

@@ -1,3 +1,4 @@
 docs/build
 Manifest.toml
 .vscode
+.DS_Store

.pre-commit-config.yaml

@@ -0,0 +1,6 @@
+repos:
+
+- repo: https://github.com/qiaojunfeng/pre-commit-julia-format
+  rev: v0.2.0                # use the most recent version
+  hooks:
+  - id: julia-format         # formatter for Julia code

CITATION.cff

@@ -15,4 +15,4 @@ title: "MPSKit"
 version: 0.10.2
 doi: 10.5281/zenodo.10654901
 date-released: 2024-02-13
-url: "https://github.com/maartenvd/MPSKit.jl"
+url: "https://github.com/QuantumKitHub/MPSKit.jl"

Project.toml

@@ -1,7 +1,7 @@
 name = "MPSKit"
 uuid = "bb1c41ca-d63c-52ed-829e-0820dda26502"
 authors = ["Maarten Van Damme", "Jutho Haegeman", "Lukas Devos", "Gertian Roose", "Markus Hauru", "Daan Maertens"]
-version = "0.10.2"
+version = "0.11.4"
 
 [deps]
 Accessors = "7d9f7c33-5ae7-4f3b-8dc6-eff91059b697"
@@ -26,19 +26,19 @@ Accessors = "0.1"
 FLoops = "0.1, 0.2"
 FastClosures = "0.3"
 FoldsThreads = "0.1"
-KrylovKit = "0.4 - 0.7"
+KrylovKit = "0.8.3"
 LinearAlgebra = "1.6"
 LoggingExtras = "1"
 OptimKit = "0.3.1"
 Preferences = "1"
 Printf = "1"
 RecipesBase = "1.1"
 TensorKit = "0.12"
-TensorKitManifolds = "0.5, 0.6"
+TensorKitManifolds = "0.5, 0.6, 0.7"
 TensorOperations = "4"
 Transducers = "0.4"
-VectorInterface = "0.2, 0.3, 0.4"
-julia = "1.6"
+VectorInterface = "0.2, 0.3, 0.4, 0.5"
+julia = "1.8"
 
 [extras]
 Pkg = "44cfe95a-1eb2-52ea-b672-e2afdf69b78f"

README.md

@@ -1,4 +1,4 @@
-<img src="https://github.com/maartenvd/MPSKit.jl/blob/master/docs/src/assets/logo.svg" width="150">
+<img src="https://github.com/QuantumKitHub/MPSKit.jl/blob/master/docs/src/assets/logo.svg" width="150">
 
 # MPSKit.jl
 
@@ -15,19 +15,19 @@ and matrix product operators (MPO), both finite and infinite.
 | [![CI][ci-img]][ci-url] | [![PkgEval][pkgeval-img]][pkgeval-url] | [![Codecov][codecov-img]][codecov-url] |
 
 [docs-stable-img]: https://img.shields.io/badge/docs-stable-blue.svg
-[docs-stable-url]: https://maartenvd.github.io/MPSKit.jl/stable
+[docs-stable-url]: https://QuantumKitHub.github.io/MPSKit.jl/stable
 
 [docs-dev-img]: https://img.shields.io/badge/docs-dev-blue.svg
-[docs-dev-url]: https://maartenvd.github.io/MPSKit.jl/dev
+[docs-dev-url]: https://QuantumKitHub.github.io/MPSKit.jl/dev
 
 [doi-img]: https://zenodo.org/badge/DOI/10.5281/zenodo.10654901.svg
 [doi-url]: https://doi.org/10.5281/zenodo.10654901
 
-[codecov-img]: https://codecov.io/gh/maartenvd/MPSKit.jl/branch/master/graph/badge.svg
-[codecov-url]: https://codecov.io/gh/maartenvd/MPSKit.jl
+[codecov-img]: https://codecov.io/gh/QuantumKitHub/MPSKit.jl/graph/badge.svg?token=rmp3bu7qn3
+[codecov-url]: https://codecov.io/gh/QuantumKitHub/MPSKit.jl
 
-[ci-img]: https://github.com/maartenvd/MPSKit.jl/actions/workflows/CI.yml/badge.svg
-[ci-url]: https://github.com/maartenvd/MPSKit.jl/actions/workflows/CI.yml
+[ci-img]: https://github.com/QuantumKitHub/MPSKit.jl/actions/workflows/CI.yml/badge.svg
+[ci-url]: https://github.com/QuantumKitHub/MPSKit.jl/actions/workflows/CI.yml
 
 [pkgeval-img]: https://JuliaCI.github.io/NanosoldierReports/pkgeval_badges/T/MPSKit.svg
 [pkgeval-url]: https://JuliaCI.github.io/NanosoldierReports/pkgeval_badges/T/MPSKit.html
@@ -38,7 +38,7 @@ generic symmetries.
 
 The toolbox contains different algorithms for finding MPS representations of groundstates or
 leading boundary states, performing time evolution, finding excitations and much more. Check
-out the [examples](https://maartenvd.github.io/MPSKit.jl/dev/examples/) for concrete
+out the [examples](https://QuantumKitHub.github.io/MPSKit.jl/dev/examples/) for concrete
 use-cases.
 
 This package is under active development and new algorithms are added regularly.
@@ -57,13 +57,13 @@ Because of the heavy use of [TensorKit.jl](https://github.com/jutho/TensorKit.jl
 recommended to install the latest version of this package as well. Additionally, several
 extension packages exist that provide additional symmetries, which should all be compatible
 with MPSKit. For example, to install the package with support for SU(N) symmetries,
-[SUNRepresentations.jl](https://github.com/maartenvd/SUNRepresentations.jl) can be used.
+[SUNRepresentations.jl](https://github.com/QuantumKitHub/SUNRepresentations.jl) can be used.
 
 ```julia-repl
 pkg> add TensorKit
 ```
 
-Finally, several pre-defined operators, hamiltonians and statistical mechanics models are available in [MPSKitModels.jl](https://github.com/maartenvd/MPSKitModels.jl). It is recommended to install this package too.
+Finally, several pre-defined operators, hamiltonians and statistical mechanics models are available in [MPSKitModels.jl](https://github.com/QuantumKitHub/MPSKitModels.jl). It is recommended to install this package too.
 
 ```julia-repl
 pkg> add MPSKitModels
@@ -84,12 +84,11 @@ D = 4 # bonddimension
 init_state = FiniteMPS(L, ℂ^2, ℂ^D)
 
 g_values = 0:0.1:2
-Z = @mpoham sum(σᶻ(){i} for i in vertices(FiniteChain(L)))
 
 M = @showprogress map(g_values) do g
     H = periodic_boundary_conditions(transverse_field_ising(; g=g), L)
     groundstate, environment, δ = find_groundstate(init_state, H; verbosity=0)
-    return abs(sum(expectation_value(groundstate, Z))) / L
+    return abs(sum(expectation_value(groundstate, i => σᶻ()) for i in 1:L)) / L
 end
 
 scatter(g_values, M, xlabel="g", ylabel="M", label="D=$D", title="Magnetization")
@@ -108,12 +107,11 @@ D = 4 # bonddimension
 init_state = InfiniteMPS(ℂ^2, ℂ^D)
 
 g_values = 0.1:0.1:2
-Z = @mpoham sum(σᶻ(){i} for i in vertices(InfiniteChain()))
 
 M = @showprogress map(g_values) do g
     H = transverse_field_ising(; g=g)
     groundstate, environment, δ = find_groundstate(init_state, H, VUMPS(; verbosity=0))
-    return abs(sum(expectation_value(groundstate, Z)))
+    return abs(expectation_value(groundstate, 1 => σᶻ()))
 end
 
 scatter(g_values, M, xlabel="g", ylabel="M", label="D=$D", title="Magnetization")

docs/Project.toml

@@ -5,6 +5,7 @@ MPSKit = "bb1c41ca-d63c-52ed-829e-0820dda26502"
 MPSKitModels = "ca635005-6f8c-4cd1-b51d-8491250ef2ab"
 Plots = "91a5bcdd-55d7-5caf-9e0b-520d859cae80"
 Polynomials = "f27b6e38-b328-58d1-80ce-0feddd5e7a45"
+Symbolics = "0c5d862f-8b57-4792-8d23-62f2024744c7"
 TensorKit = "07d1fe3e-3e46-537d-9eac-e9e13d0d4cec"
 TensorOperations = "6aa20fa7-93e2-5fca-9bc0-fbd0db3c71a2"
 

docs/make.jl

@@ -19,7 +19,7 @@ quantum_pages = map(readdir(joinpath(example_dir, "quantum1d"))) do dir
 end
 
 # include MPSKit in all doctests
-DocMeta.setdocmeta!(MPSKit, :DocTestSetup, :(using MPSKit); recursive=true)
+DocMeta.setdocmeta!(MPSKit, :DocTestSetup, :(using MPSKit, TensorKit); recursive=true)
 
 mathengine = MathJax3(Dict(:loader => Dict("load" => ["[tex]/physics"]),
                            :tex => Dict("inlineMath" => [["\$", "\$"], ["\\(", "\\)"]],
@@ -38,9 +38,10 @@ makedocs(;
                              "man/operators.md",
                              "man/algorithms.md",
                              "man/environments.md",
-                             "man/parallelism.md"],
+                             "man/parallelism.md",
+                             "man/lattices.md"],
                 "Examples" => "examples/index.md",
                 "Library" => "lib/lib.md"],
          warnonly=true)
 
-deploydocs(; repo="github.com/maartenvd/MPSKit.jl.git")
+deploydocs(; repo="github.com/QuantumKitHub/MPSKit.jl.git")