Merge remote-tracking branch 'upstream/master'

.github/workflows/Basic.yml → .github/workflows/basic.yml

@@ -12,11 +12,11 @@ jobs:
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
-        os: [ubuntu-18.04, ubuntu-20.04]
-        compiler: [gcc, clang]
-        BUILD_TYPE : [Debug, Release]
+        os: [ ubuntu-20.04, ubuntu-22.04 ]
+        compiler: [ gcc, clang ]
+        BUILD_TYPE: [ Debug, Release ]
     steps:
-    - uses: actions/checkout@v2 
+    - uses: actions/checkout@v3 
     - name: dependencies
       run: sudo apt install libeigen3-dev
     - name: configure

.github/workflows/checkformat.yml

@@ -1,4 +1,4 @@
-name: check format
+name: Check format
 on:
   push:
     branches: [ master ]
@@ -13,9 +13,9 @@ jobs:
       matrix:
         compiler: [gcc]
     steps:
-    - uses: actions/checkout@v2 
+    - uses: actions/checkout@v3 
     - name: dependencies
-      run: sudo apt install libeigen3-dev clang-format-9
+      run: sudo apt install libeigen3-dev clang-format
     - name: cmake
       run: cmake -B builddir
     - name: Format

.github/workflows/codecov.yml

@@ -8,15 +8,15 @@ on:
 jobs:
   build:
 
-    runs-on: ubuntu-latest
+    runs-on: ubuntu-20.04
     strategy:
       matrix:
-        compiler: [gcc]
-        BUILD_TYPE : [Debug]
+        compiler: [ gcc ]
+        BUILD_TYPE : [ Debug ]
     steps:
-    - uses: actions/checkout@v2 
+    - uses: actions/checkout@v3 
     - name: dependencies
-      run: sudo apt install libeigen3-dev
+      run: sudo apt install libeigen3-dev lcov
     - name: configure
       env:
         CC: ${{ matrix.compiler }}
@@ -25,5 +25,7 @@ jobs:
       run: cmake --build build -- -j4
     - name: test
       run: cd build && ctest
+    - name: Generate coverage data
+      run: lcov --directory . --capture --output-file coverage.info
     - name: Upload coverage to Codecov
-      uses: codecov/codecov-action@v1
+      uses: codecov/codecov-action@v3

.gitignore

@@ -21,4 +21,4 @@ build/*
 issues/*
 legacy/*
 include/Eigen/*
-
+include/unsupported/Eigen/*

CHANGELOG.md

@@ -1,4 +1,40 @@
+## [Unreleased]
+
+### Changed
+- Fixed the support for non-literal data types
+  ([#150](https://github.com/yixuan/spectra/issues/150))
+- Various CMake configuration improvements
+  ([#127](https://github.com/yixuan/spectra/pull/127),
+  [#140](https://github.com/yixuan/spectra/pull/140),
+  [#152](https://github.com/yixuan/spectra/pull/152)),
+  thanks to [@LTLA](https://github.com/LTLA),
+  [@JensWehner](https://github.com/jschueller),
+  [@shivupa](https://github.com/shivupa),
+  [@jschueller](https://github.com/jschueller),
+  [@alecjacobson](https://github.com/alecjacobson), and
+  [@jdumas](https://github.com/jdumas)
+- Miscellaneous GitHub Actions updates
+
+
+
+## [1.0.1] - 2022-04-06
+
+### Added
+- Added SIMD support for `UpperHessenbergSchur`. This should accelerate
+  general eigen solvers such as `GenEigsSolver`
+- Added test code for `UpperHessenbergSchur`
+
+### Changed
+- Fixed several bugs in the examples caused by the `const` keyword,
+  reported by [@alexpghayes](https://github.com/alexpghayes)
+  ([#135](https://github.com/yixuan/spectra/issues/135),
+  [#137](https://github.com/yixuan/spectra/pull/137))
+- Updated the included [Catch2](https://github.com/catchorg/Catch2) to v2.13.8
+
+
+
 ## [1.0.1] - 2022-04-06
+
 ### Added
 - Added SIMD support for `UpperHessenbergSchur`. This should accelerate
   general eigen solvers such as `GenEigsSolver`
@@ -12,7 +48,9 @@
 - Updated the included [Catch2](https://github.com/catchorg/Catch2) to v2.13.8
 
 
+
 ## [1.0.0] - 2021-07-01
+
 ### Added
 - Added version macros `SPECTRA_MAJOR_VERSION`, `SPECTRA_MINOR_VERSION`,
   `SPECTRA_PATCH_VERSION`, and `SPECTRA_VERSION` that are included by all eigen solvers
@@ -69,7 +107,9 @@
 - Updated the included [Catch2](https://github.com/catchorg/Catch2) to v2.13.6
 
 
+
 ## [0.9.0] - 2020-05-19
+
 ### Added
 - Added support for CMake build, contributed by
   [Guillaume Acke](https://github.com/guacke) and [Jens Wehner](https://github.com/JensWehner)
@@ -87,7 +127,9 @@
 - Changed the implementation of `BKLDLT` solver to improve precision in some tests
 
 
+
 ## [0.8.1] - 2019-06-05
+
 ### Changed
 - Fixed a bug in `BKLDLT` in which a wrong type was used, thanks to
   [@jdbancal](https://github.com/jdbancal) for the issue
@@ -101,7 +143,9 @@
   [#19](https://github.com/yixuan/spectra/issues/19)
 
 
+
 ## [0.8.0] - 2019-04-03
+
 ### Added
 - Added a `BKLDLT` class that implements the Bunch-Kaufman LDLT decomposition
   for symmetric indefinite matrices. According to the Eigen documentation,
@@ -128,7 +172,9 @@
 - Updated the included [Catch2](https://github.com/catchorg/Catch2) to v2.7.0
 
 
+
 ## [0.7.0] - 2019-01-10
+
 ### Added
 - Added a directory `contrib` to include code contributed by users. It is not
   formally a part of the Spectra library, but it may contain useful solvers
@@ -160,21 +206,27 @@
 - Updated the included [Catch2](https://github.com/catchorg/Catch2) to v2.4.2
 
 
+
 ## [0.6.2] - 2018-05-22
+
 ### Changed
 - Fixed regressions in v0.6.0 on some edge cases
 - Improved the accuracy of restarting processes in `SymEigsSolver` and `GenEigsSolver`
 - Updated the included [Catch2](https://github.com/catchorg/Catch2) to v2.2.2
 - Code and documentation cleanup
 
 
+
 ## [0.6.1] - 2018-03-03
+
 ### Changed
 - Fixed a bug of uninitialized memory
 - Updated the included [Catch2](https://github.com/catchorg/Catch2) to v2.1.2
 
 
+
 ## [0.6.0] - 2018-03-03
+
 ### Added
 - Added virtual destructors to the `SymEigsSolver` and `UpperHessenbergQR` classes
   to fix compiler warnings, by [Julian Kent](https://github.com/jkflying)
@@ -200,7 +252,9 @@
 - Updated Travis CI script
 
 
+
 ## [0.5.0] - 2017-02-05
+
 ### Added
 - Added the generalized eigen solver `SymGEigsSolver` in the regular inverse mode
 - Added the wrapper class `SparseRegularInverse` that can be used with
@@ -220,7 +274,9 @@
 - Documentation improvement
 
 
+
 ## [0.4.0] - 2016-11-14
+
 ### Added
 - Added an `Uplo` template parameter to the `DenseSymShiftSolve` class
 - Added the generalized eigen solver `SymGEigsSolver` in the Cholesky mode
@@ -246,7 +302,9 @@
   detected by [@jdbancal](https://github.com/jdbancal)
 
 
+
 ## [0.3.0] - 2016-07-03
+
 ### Added
 - Added the wrapper classes `SparseSymMatProd` and `SparseSymShiftSolve`
   for sparse symmetric matrices
@@ -262,7 +320,9 @@
 - Header files for internal use were relocated
 
 
+
 ## [0.2.0] - 2016-02-28
+
 ### Added
 - Benchmark script now outputs number of matrix operations
 - Added this change log
@@ -283,6 +343,8 @@
   `DenseGenMatProd` to `DenseSymMatProd`
 
 
+
 ## [0.1.0] - 2015-12-19
+
 ### Added
 - Initial release of Spectra

CMakeLists.txt

@@ -21,9 +21,11 @@ include(FeatureSummary) # More verbose Output for libraries using set_package_pr
 
 # Look for supporting libraries
 # -----------------------------
-find_package(Eigen3 NO_MODULE REQUIRED)
-set_package_properties(Eigen3 PROPERTIES TYPE REQUIRED PURPOSE "C++ vector data structures")
-message(STATUS "Found Eigen3 Version: ${Eigen3_VERSION} Path: ${Eigen3_DIR}")
+if (NOT TARGET Eigen3::Eigen)
+  find_package(Eigen3 NO_MODULE REQUIRED)
+  set_package_properties(Eigen3 PROPERTIES TYPE REQUIRED PURPOSE "C++ vector data structures")
+  message(STATUS "Found Eigen3 Version: ${Eigen3_VERSION} Path: ${Eigen3_DIR}")
+endif()
 
 # Setup library
 # -------------

README.md

@@ -1,6 +1,6 @@
 # <a href="https://spectralib.org"><img src="https://spectralib.org/img/logo.png" width="200px" /></a>
 
-[![Build Status](https://travis-ci.org/yixuan/spectra.svg?branch=master)](https://travis-ci.org/yixuan/spectra) ![Basic CI](https://github.com/yixuan/spectra/workflows/Basic%20CI/badge.svg) [![codecov](https://codecov.io/gh/yixuan/spectra/branch/master/graph/badge.svg)](https://codecov.io/gh/yixuan/spectra)
+![Basic CI](https://github.com/yixuan/spectra/workflows/Basic%20CI/badge.svg) [![codecov](https://codecov.io/gh/yixuan/spectra/branch/master/graph/badge.svg)](https://codecov.io/gh/yixuan/spectra)
 
 > **NOTE**: Spectra 1.0.0 is released, with a lot of
 > API-breaking changes. Please see the [migration guide](MIGRATION.md)

include/Spectra/GenEigsBase.h

@@ -1,4 +1,4 @@
-// Copyright (C) 2018-2022 Yixuan Qiu <yixuan.qiu@cos.name>
+// Copyright (C) 2018-2023 Yixuan Qiu <yixuan.qiu@cos.name>
 //
 // This Source Code Form is subject to the terms of the Mozilla
 // Public License v. 2.0. If a copy of the MPL was not distributed
@@ -143,7 +143,7 @@ class GenEigsBase
         using std::pow;
 
         // The machine precision, ~= 1e-16 for the "double" type
-        constexpr Scalar eps = TypeTraits<Scalar>::epsilon();
+        const Scalar eps = TypeTraits<Scalar>::epsilon();
         // std::pow() is not constexpr, so we do not declare eps23 to be constexpr
         // But most compilers should be able to compute eps23 at compile time
         const Scalar eps23 = pow(eps, Scalar(2) / 3);
@@ -164,7 +164,7 @@ class GenEigsBase
 
         // A very small value, but 1.0 / near_0 does not overflow
         // ~= 1e-307 for the "double" type
-        constexpr Scalar near_0 = TypeTraits<Scalar>::min() * Scalar(10);
+        const Scalar near_0 = TypeTraits<Scalar>::min() * Scalar(10);
 
         Index nev_new = m_nev;
         for (Index i = m_nev; i < m_ncv; i++)

include/Spectra/GenEigsComplexShiftSolver.h

@@ -1,4 +1,4 @@
-// Copyright (C) 2016-2022 Yixuan Qiu <yixuan.qiu@cos.name>
+// Copyright (C) 2016-2023 Yixuan Qiu <yixuan.qiu@cos.name>
 //
 // This Source Code Form is subject to the terms of the Mozilla
 // Public License v. 2.0. If a copy of the MPL was not distributed
@@ -83,7 +83,7 @@ class GenEigsComplexShiftSolver : public GenEigsBase<OpType, IdentityBOp>
 
         // Calculate inv(A - r * I) * vj
         Vector v_real(m_n), v_imag(m_n), OPv_real(m_n), OPv_imag(m_n);
-        constexpr Scalar eps = TypeTraits<Scalar>::epsilon();
+        const Scalar eps = TypeTraits<Scalar>::epsilon();
         for (Index i = 0; i < m_nev; i++)
         {
             v_real.noalias() = m_fac.matrix_V() * m_ritz_vec.col(i).real();

include/Spectra/GenEigsRealShiftSolver.h

@@ -1,4 +1,4 @@
-// Copyright (C) 2016-2022 Yixuan Qiu <yixuan.qiu@cos.name>
+// Copyright (C) 2016-2023 Yixuan Qiu <yixuan.qiu@cos.name>
 //
 // This Source Code Form is subject to the terms of the Mozilla
 // Public License v. 2.0. If a copy of the MPL was not distributed

include/Spectra/GenEigsSolver.h

@@ -1,4 +1,4 @@
-// Copyright (C) 2016-2022 Yixuan Qiu <yixuan.qiu@cos.name>
+// Copyright (C) 2016-2023 Yixuan Qiu <yixuan.qiu@cos.name>
 //
 // This Source Code Form is subject to the terms of the Mozilla
 // Public License v. 2.0. If a copy of the MPL was not distributed

include/Spectra/LinAlg/Arnoldi.h

@@ -1,4 +1,4 @@
-// Copyright (C) 2018-2022 Yixuan Qiu <yixuan.qiu@cos.name>
+// Copyright (C) 2018-2023 Yixuan Qiu <yixuan.qiu@cos.name>
 //
 // This Source Code Form is subject to the terms of the Mozilla
 // Public License v. 2.0. If a copy of the MPL was not distributed
@@ -42,9 +42,9 @@ class Arnoldi
 protected:
     // A very small value, but 1.0 / m_near_0 does not overflow
     // ~= 1e-307 for the "double" type
-    static constexpr Scalar m_near_0 = TypeTraits<Scalar>::min() * Scalar(10);
+    const Scalar m_near_0 = TypeTraits<Scalar>::min() * Scalar(10);
     // The machine precision, ~= 1e-16 for the "double" type
-    static constexpr Scalar m_eps = TypeTraits<Scalar>::epsilon();
+    const Scalar m_eps = TypeTraits<Scalar>::epsilon();
 
     ArnoldiOpType m_op;  // Operators for the Arnoldi factorization
     const Index m_n;     // dimension of A
@@ -130,6 +130,8 @@ class Arnoldi
     // Initialize with an operator and an initial vector
     void init(MapConstVec& v0, Index& op_counter)
     {
+        using std::abs;
+
         m_fac_V.resize(m_n, m_m);
         m_fac_H.resize(m_m, m_m);
         m_fac_f.resize(m_n);
@@ -158,9 +160,11 @@ class Arnoldi
         m_fac_H(0, 0) = m_op.inner_product(v, w);
         m_fac_f.noalias() = w - v * m_fac_H(0, 0);
 
-        // In some cases f is zero in exact arithmetics, but due to rounding errors
-        // it may contain tiny fluctuations. When this happens, we force f to be zero
-        if (m_fac_f.cwiseAbs().maxCoeff() < m_eps)
+        // In some cases, H[1,1] is already an eigenvalue of A,
+        // so f would be zero in exact arithmetics. But due to rounding errors,
+        // it may contain tiny fluctuations. When this happens, we force f to be zero,
+        // so that it can be restarted in the subsequent Arnoldi factorization
+        if (m_fac_f.cwiseAbs().maxCoeff() < m_eps * abs(m_fac_H(0, 0)))
         {
             m_fac_f.setZero();
             m_beta = Scalar(0);

include/Spectra/LinAlg/BKLDLT.h

@@ -1,4 +1,4 @@
-// Copyright (C) 2019-2022 Yixuan Qiu <yixuan.qiu@cos.name>
+// Copyright (C) 2019-2023 Yixuan Qiu <yixuan.qiu@cos.name>
 //
 // This Source Code Form is subject to the terms of the Mozilla
 // Public License v. 2.0. If a copy of the MPL was not distributed