Merge pull request #510 from GoogleCloudPlatform/release-v0.5.0

Merge release v0.5.0 into main

Author: douglasjacobsen

.github/workflows/spelling.yaml

@@ -11,9 +11,9 @@ jobs:
   formatting:
     runs-on: ubuntu-latest
     steps:
-    - uses: actions/checkout@v3
+    - uses: actions/checkout@v4
     - name: Check Spelling
-      uses: crate-ci/typos@548ac37a5de9ce84871bf4db3c9b8c462896d480 # v1.16.24
+      uses: crate-ci/typos@v1.20.4
       with:
         files: ./lib/ramble/ramble ./lib/ramble/docs ./examples ./share ./bin ./etc ./var ./README.md
         config: ./.typos.toml

.typos.toml

@@ -17,6 +17,8 @@ extend-ignore-re = [
 "fom" = "fom"
 "namd" = "namd"
 "reord" = "reord"
+"PN" = "PN" # fixing tPN in IOR
+"repositor" = "repositor" # Fixing partial name without singular / plural suffix
 
 [default.extend-identifiers]
 "ATPase" = "ATPase"

AUTHORS

@@ -0,0 +1,7 @@
+# This is the list of Ramble's significant contributors.
+#
+# This does not necessarily list everyone who has contributed code,
+# especially since many employees of one corporation may be contributing.
+# To see the full list of contributors, see the revision history in
+# source control.
+Google LLC

LICENSE-APACHE

@@ -187,7 +187,7 @@
       same "printed page" as the copyright notice for easier
       identification within third-party archives.
 
-   Copyright 2022-2024 Google LLC.
+   Copyright 2022-2024 The Ramble Authors.
 
    Licensed under the Apache License, Version 2.0 (the "License");
    you may not use this file except in compliance with the License.

README.md

@@ -6,7 +6,7 @@ It works on Linux, macOS, and many supercomputers.
 Ramble can be used to configure a variety of experiments for applications.
 These can include anything from:
  - Scientific parameter sweeps
- - Performance focused scalaing studies
+ - Performance focused scaling studies
  - Compiler flag sweeps
 
 To install ramble and configure your experiment workspace, make sure you have

bin/ramble

@@ -1,5 +1,5 @@
 #!/bin/sh
-# Copyright 2022-2024 Google LLC
+# Copyright 2022-2024 The Ramble Authors
 #
 # Licensed under the Apache License, Version 2.0 <LICENSE-APACHE or
 # https://www.apache.org/licenses/LICENSE-2.0> or the MIT license

bin/ramble-python

@@ -1,4 +1,4 @@
-# Copyright 2022-2024 Google LLC
+# Copyright 2022-2024 The Ramble Authors
 #
 # Licensed under the Apache License, Version 2.0 <LICENSE-APACHE or
 # https://www.apache.org/licenses/LICENSE-2.0> or the MIT license

etc/ramble/defaults/spack.yaml

@@ -1,4 +1,3 @@
 spack:
-  concretized: false
   packages: {}
   environments: {}

examples/basic_expansion_config.yaml

@@ -29,16 +29,15 @@ ramble:
                 n_ranks: '1'
                 n_nodes: '1'
   spack:
-    concretized: true
     packages:
       gcc9:
         spack_spec: [email protected] target=x86_64
         compiler_spec: [email protected]
       ompi412:
         spack_spec: [email protected] +legacylaunchers +pmi +thread_multiple +cxx target=x86_64
         compiler: gcc9
-      impi2018:
-        spack_spec: intel-mpi@2018.4.274
+      impi2021:
+        spack_spec: intel-oneapi-mpi@2021.11.0
         compiler: gcc9
       openfoam:
         spack_spec: openfoam-org@7
@@ -57,5 +56,5 @@ ramble:
         - openfoam
       wrfv4:
         packages:
-        - impi2018
+        - impi2021
         - wrfv4

examples/basic_gromacs_config.yaml

@@ -38,13 +38,12 @@ ramble:
                 size: '0003'
                 type: 'rf'
   spack:
-    concretized: true
     packages:
       gcc9:
         spack_spec: [email protected] target=x86_64
         compiler_spec: [email protected]
-      impi2018:
-        spack_spec: intel-mpi@2018.4.274 target=x86_64
+      impi2021:
+        spack_spec: intel-oneapi-mpi@2021.11.0 target=x86_64
         compiler: gcc9
       gromacs:
         spack_spec: [email protected]
@@ -53,4 +52,4 @@ ramble:
       gromacs:
         packages:
         - gromacs
-        - impi2018
+        - impi2021