Merge branch 'master' into debug_flags

.github/workflows/actions.yml

@@ -52,6 +52,11 @@ jobs:
           diff configure_v rust_v
           diff configure_v ocaml_v
 
+      - name: setup fixed Python version for testing
+        uses: actions/setup-python@39cd14951b08e74b54015e9e001cdefcf80e669f
+        with:
+          python-version: '3.10'
+
       - name: install dependencies
         run: |
           sudo apt-get update
@@ -140,17 +145,24 @@ jobs:
     steps:
       - uses: actions/checkout@e2f20e631ae6d7dd3b768f56a5d2af784dd54791
 
+      - name: setup fixed Python version for testing
+        uses: actions/setup-python@39cd14951b08e74b54015e9e001cdefcf80e669f
+        with:
+          python-version: '3.12'
+
       - name: install dependencies
         run: |
           brew install emacs
           brew install hdf5@1.14
           brew install automake
           brew install libtool
-          brew install swig
-          brew --prefix hdf5
-
+          # SWIG 4.3.0 from homebrew with clang failed CI for macos@aarch64 - lol what?
+          pip install swig==4.2.1.post0
+          swig -version
+          
       - name: configure with autotools
         run: |
+          brew --prefix hdf5
           ./autogen.sh
           ./configure CC=gcc-12 FC=gfortran-12 --enable-silent-rules
 

docs/examples.org

@@ -491,6 +491,7 @@ feof = False
 W = np.zeros( (n,n,n,n) )
 while not feof:
   buffer_index, buffer_values, icount, feof = trexio.read_mo_2e_int_eri(f, offset, icount)
+  offset += icount
   for m in range(icount):
     i, j, k, l = buffer_index[m]
     W[i,j,k,l] = buffer_values[m]
@@ -515,6 +516,7 @@ feof = False
 G = np.zeros( (n,n,n,n) )
 while not feof:
   buffer_index, buffer_values, icount, feof = trexio.read_rdm_2e(f, offset, icount)
+  offset += icount
   for m in range(icount):
     i, j, k, l = buffer_index[m]
     G[i,j,k,l] = buffer_values[m]