Merge pull request #471 from ValeevGroup/evaleev/fix/nonzero-lobound-array-to-eigen

array<->eigen conversions + assignment to block expressions work with arrays/expressions with nonzero lobound/base

Author: evaleev

.gitlab-ci.yml

@@ -57,22 +57,22 @@ ubuntu:
       metrics: build/metrics.txt
   parallel:
     matrix:
-      - IMAGE : [ "ubuntu:22.04", "ubuntu:20.04" ]
+      - IMAGE : [ "ubuntu:20.04" ]
         CXX: [ g++ ]
-        BUILD_TYPE : [ "Release" ]
+        BUILD_TYPE : [ "RelWithDebInfo" ]
         BLA_VENDOR : [ "BLAS_PREFERENCE_LIST=IntelMKL" ]
         BLA_THREADS : [ "IntelMKL_THREAD_LAYER=tbb" ]
         # ENABLE_SCALAPACK : [ "ENABLE_SCALAPACK=ON", "ENABLE_SCALAPACK=OFF" ]
         TA_PYTHON : [ "TA_PYTHON=OFF" ] # needs to be fixed for MKL
         RUNNER_TAGS: [ saas-linux-small-amd64 ]
-      - IMAGE : [ "ubuntu:22.04", "ubuntu:20.04" ]
+      - IMAGE : [ "ubuntu:22.04" ]
         CXX: [ g++, clang++-13 ]
-        BUILD_TYPE : [ "Release", "Debug" ]
+        BUILD_TYPE : [ "RelWithDebInfo" ]
         ENABLE_SCALAPACK : [ "ENABLE_SCALAPACK=ON", "ENABLE_SCALAPACK=OFF" ]
         RUNNER_TAGS: [ saas-linux-small-amd64 ]
-      - IMAGE : [ "ubuntu:22.04", "ubuntu:20.04" ]
+      - IMAGE : [ "ubuntu:22.04" ]
         CXX: [ g++ ]
-        BUILD_TYPE : [ "Release", "Debug" ]
+        BUILD_TYPE : [ "RelWithDebInfo" ]
         ENABLE_CUDA : [ "ENABLE_CUDA=ON" ]
         TA_TARGETS : [ "tiledarray examples-tiledarray check_serial-tiledarray" ]
         RUNNER_TAGS: [ cuda ]

INSTALL.md

@@ -43,7 +43,7 @@ Both methods are supported. However, for most users we _strongly_ recommend to b
 - [Range-V3](https://github.com/ericniebler/range-v3.git) -- a Ranges library that served as the basis for Ranges component of C++20 and later.
 - [BTAS](http://github.com/ValeevGroup/BTAS), tag 4e8f5233aa7881dccdfcc37ce07128833926d3c2 . If usable BTAS installation is not found, TiledArray will download and compile
   BTAS from source. *This is the recommended way to compile BTAS for all users*.
-- [MADNESS](https://github.com/m-a-d-n-e-s-s/madness), tag 96ac90e8f193ccfaf16f346b4652927d2d362e75 .
+- [MADNESS](https://github.com/m-a-d-n-e-s-s/madness), tag 95589b0d020a076f93d02eead6da654b23dd3d91 .
   Only the MADworld runtime and BLAS/LAPACK C API component of MADNESS is used by TiledArray.
   If usable MADNESS installation is not found, TiledArray will download and compile
   MADNESS from source. *This is the recommended way to compile MADNESS for all users*.

external/versions.cmake

@@ -11,8 +11,8 @@ set(TA_INSTALL_EIGEN_PREVIOUS_VERSION 3.3.7)
 set(TA_INSTALL_EIGEN_URL_HASH SHA256=b4c198460eba6f28d34894e3a5710998818515104d6e74e5cc331ce31e46e626)
 set(TA_INSTALL_EIGEN_PREVIOUS_URL_HASH MD5=b9e98a200d2455f06db9c661c5610496)
 
-set(TA_TRACKED_MADNESS_TAG 96ac90e8f193ccfaf16f346b4652927d2d362e75)
-set(TA_TRACKED_MADNESS_PREVIOUS_TAG 3d0ae2fad1b97e347ca6dd98b9f1b9e74e629f52)
+set(TA_TRACKED_MADNESS_TAG 95589b0d020a076f93d02eead6da654b23dd3d91)
+set(TA_TRACKED_MADNESS_PREVIOUS_TAG 96ac90e8f193ccfaf16f346b4652927d2d362e75)
 set(TA_TRACKED_MADNESS_VERSION 0.10.1)
 set(TA_TRACKED_MADNESS_PREVIOUS_VERSION 0.10.1)
 

python/src/TiledArray/python/trange.h

@@ -45,7 +45,6 @@ auto list(const TiledRange &trange) {
   return v;
 }
 
-// template<>
 inline TiledRange make_trange(std::vector<std::vector<int64_t> > trange) {
   std::vector<TiledRange1> trange1;
   for (auto tr : trange) {
@@ -58,11 +57,7 @@ inline TiledRange make_trange(std::vector<std::vector<int64_t> > trange) {
 inline TiledRange make_trange(std::vector<int64_t> shape, size_t block) {
   std::vector<TiledRange1> trange1;
   for (size_t i = 0; i < shape.size(); ++i) {
-    std::vector<int64_t> tr1;
-    for (size_t j = 0; j <= (shape[i] + block - 1); j += block) {
-      tr1.push_back(std::min<int64_t>(j, shape[i]));
-    }
-    trange1.push_back(TiledRange1(tr1.begin(), tr1.end()));
+    trange1.emplace_back(TiledRange1::make_uniform(shape[i], block));
   }
   return TiledRange(trange1.begin(), trange1.end());
 }

src/TiledArray/conversions/btas.h

@@ -64,7 +64,7 @@ DistArray<Tile, Policy> concat(
   using std::begin;
   using std::end;
 
-  index b(r), e(r);  // updated for concatted modes only
+  index b(r), e(r);  // updated for concatenated modes only
   std::fill(begin(b), end(b), 0);
   for (auto i = 0ul; i != arrays.size(); ++i) {
     auto& tr = arrays[i].trange();
@@ -97,9 +97,6 @@ DistArray<Tile, Policy> concat(
       result.make_tsrexpr(annot).block(tile_begin_end[i].first,
                                        tile_begin_end[i].second) =
           arrays[i].make_tsrexpr(annot);
-      result.make_tsrexpr(annot).block(tile_begin_end[i].first,
-                                       tile_begin_end[i].second) =
-          arrays[i].make_tsrexpr(annot);
     }
   }
   result.world().gop.fence();