From f64ffe62758b6d12ab721a471af8423b0746ff1b Mon Sep 17 00:00:00 2001
From: "Jonathan M. Waldrop" <relik107@gmail.com>
Date: Fri, 1 Aug 2025 14:41:58 -0500
Subject: [PATCH 1/2] update GHA workflows

---
 .github/workflows/merge.yaml        | 12 ++++++++----
 .github/workflows/pull_request.yaml | 20 +++++++++++++-------
 2 files changed, 21 insertions(+), 11 deletions(-)

diff --git a/.github/workflows/merge.yaml b/.github/workflows/merge.yaml
index 80d1c15d..5ce05c84 100644
--- a/.github/workflows/merge.yaml
+++ b/.github/workflows/merge.yaml
@@ -13,7 +13,7 @@
 # limitations under the License.
 #
 
-name: .github Merge Workflow
+name: Merge Workflow
 
 on:
   push:
@@ -21,10 +21,14 @@ on:
       - master
 
 jobs:
-  Common-Merge:
-    uses: NWChemEx/.github/.github/workflows/common_merge.yaml@master
+  tag-commit:
+    uses: NWChemEx/.github/.github/workflows/tag.yaml@master
+    secrets: inherit
+
+  deploy_nwx_docs:
+    uses: NWChemEx/.github/.github/workflows/deploy_nwx_docs.yaml@master
     with:
-      doc_target: 'chemcache_cxx_api'
+      doc_target: "chemcache_cxx_api"
       generate_module_docs: true
     secrets: inherit
 
diff --git a/.github/workflows/pull_request.yaml b/.github/workflows/pull_request.yaml
index 3d4e8a32..ed712e19 100644
--- a/.github/workflows/pull_request.yaml
+++ b/.github/workflows/pull_request.yaml
@@ -13,7 +13,7 @@
 # limitations under the License.
 #
 
-name: .github Pull Request Workflow
+name: Pull Request Workflow
 
 on:
   pull_request:
@@ -21,11 +21,17 @@ on:
       - master
 
 jobs:
-  Common-Pull-Request:
-    uses: NWChemEx/.github/.github/workflows/common_pull_request.yaml@master
+  check_formatting:
+    uses: NWChemEx/.github/.github/workflows/check_formatting.yaml@master
+    with:
+      license_config: ".github/.licenserc.yaml"
+
+  test_nwx_docs:
+    uses: NWChemEx/.github/.github/workflows/test_nwx_docs.yaml@master
+    with:
+      doc_target: "chemcache_cxx_api"
+
+  test_library:
+    uses: NWChemEx/.github/.github/workflows/test_nwx_library.yaml@master
     with:
-      config_file: '.github/.licenserc.yaml'
-      source_dir: 'include src tests'
       compilers: '["gcc-11", "clang-14"]'
-      doc_target: 'chemcache_cxx_api'
-    secrets: inherit

From 847d39f4633c0362edea9d2dc642c5aba5938ffc Mon Sep 17 00:00:00 2001
From: "Jonathan M. Waldrop" <relik107@gmail.com>
Date: Fri, 1 Aug 2025 15:06:17 -0500
Subject: [PATCH 2/2] fix python formatting

---
 .../physical_data/format_nistmult.txt         | 20 +++++++++----------
 1 file changed, 10 insertions(+), 10 deletions(-)

diff --git a/reference_data/physical_data/format_nistmult.txt b/reference_data/physical_data/format_nistmult.txt
index f1f47bb2..93cc72b2 100644
--- a/reference_data/physical_data/format_nistmult.txt
+++ b/reference_data/physical_data/format_nistmult.txt
@@ -2,31 +2,31 @@
 #Author Ben Pritchard
 import sys
 import re
-import mpmath as mp 
+import mpmath as mp
 
-mp.dps=250
+mp.dps = 250
 mp.mp.dps = 250
 
 if len(sys.argv) != 2:
-   print("Usage: format_nist.py nistfile")
-   quit(1)
-
+    print("Usage: format_nist.py nistfile")
+    quit(1)
 
 path = sys.argv[1]
 
-
 atomre = re.compile(r'^(\d+) +(\w+) +([\[\]\w\d]+) +(\d+)(\w)(°?)([\d\/]+)')
 
-
 # First 5 lines are comments
-filelines = [ x.strip() for x in open(path).readlines() ]
+filelines = [x.strip() for x in open(path).readlines()]
 
 for line in filelines[:5]:
-  print(line)
+    print(line)
 
 curatom = None
 
 for line in filelines[5:]:
     matomre = atomre.match(line)
     if matomre:
-      print("{:<5} {:<20} {:<5} {:<5}".format(matomre.group(1), matomre.group(3), matomre.group(4), matomre.group(5)))
+        print("{:<5} {:<20} {:<5} {:<5}".format(matomre.group(1),
+                                                matomre.group(3),
+                                                matomre.group(4),
+                                                matomre.group(5)))