Compatibility with CellListMap 0.10.0

.github/workflows/Downgrade.yml

@@ -16,10 +16,10 @@ jobs:
     strategy:
       matrix:
         version:
-          - '1.9.0'
+          - '1.10.0'
     steps:
       - uses: actions/checkout@v4
-      - uses: julia-actions/setup-julia@v1
+      - uses: julia-actions/setup-julia@v2
         with:
           version: ${{ matrix.version }}
       - uses: cjdoris/julia-downgrade-compat-action@v1

.github/workflows/ci.yml

@@ -10,7 +10,6 @@ jobs:
       fail-fast: false
       matrix:
         version:
-          - '1.9'
           - 'lts'
           - 'pre'
         os:

Project.toml

@@ -40,22 +40,22 @@ DocStringExtensions = "0.9.1"
 Documenter = "1.3"
 FortranFiles = "0.6"
 JSON3 = "1.11.1"
-LinearAlgebra = "1.9"
-PDBTools = "1.8.1, 2"
+LinearAlgebra = "1.10"
+PDBTools = "2"
 Plots = "1.39"
 PrecompileTools = "1"
-Printf = "1.9"
+Printf = "1.10"
 ProgressMeter = "1.10.1"
-Random = "1.9"
+Random = "1.10"
 RandomNumbers = "1.5"
 StableRNGs = "1"
 StaticArrays = "1.6"
-Statistics = "1.9"
+Statistics = "1.10"
 StructTypes = "1.10"
-Test = "1.9"
+Test = "1.10"
 TestItemRunner = "0.2"
 TestItems = "0.1, 1"
-julia = "1.9"
+julia = "1.10"
 
 [extras]
 Aqua = "4c88cf16-eb10-579e-8560-4a9242c79595"

docs/src/installation.md

@@ -8,10 +8,8 @@
 
 ## Install Julia
 
-First you need to install the Julia language, version 1.9 or greater is required. 
-Using the [juliaup](https://github.com/JuliaLang/juliaup) tool is a highly recommended way of installing and keeping Julia up to date.
-
-Alternatively, you can install Julia by downloading the binaries directly from [the Julia webpage](https://julialang.org).
+First you need to install the Julia language, version 1.10 or greater is required, according
+to the instructions in the [the Julia language webpage](https://julialang.org).
 
 !!! note
     New to Julia? Julia is a modern high-level yet performant programming language. Some tips

src/minimum_distances.jl

@@ -180,7 +180,6 @@ function CellListMap.ParticleSystem(
         lcell=options.lcell,
         parallel, # true only if low_memory is set 
         nbatches,
-        autoswap=false, # The lists will be built for the solvent, always
     )
     return system
 end

src/parallel_setup.jl

@@ -19,7 +19,7 @@ function parallel_setup(options::Options, R::Result, low_memory::Bool)
     # Set the number of chunks and CellListMap parameters for low-memory option
     #
     nchunks, parallel_cl, nbatches_cl = if low_memory
-        nchunks = max(1, min(nthreads, Int(fld(0.2 * total_memory, results_memory))))
+        nchunks = max(1, min(nthreads, Int(fld(0.05 * total_memory, results_memory))))
         nthreads_per_chunk = Int(fld(nthreads, nchunks))
         (nchunks, true, (min(8,nthreads_per_chunk), nthreads_per_chunk))
     else