pr test workaround + add news

Author: Tieqiong

.github/workflows/tests-on-pr.yml

@@ -11,5 +11,8 @@ jobs:
       project: diffpy.cmi
       c_extension: false
       headless: false
+      run: |
+        echo "Running tests for diffpy.cmi"
+        cmi install _tests
     secrets:
       CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}

news/cmi.rst

@@ -0,0 +1,28 @@
+**Added:**
+
+* Add modules ``cli``, ``conda``, ``installer``, ``log``, ``packsmanager``, ``profilesmanager``.
+* Add cmi cli commands for managing/installing profiles and packs; example and manual commands.
+* Add `diffpy-srreal` script for script installation demonstration.
+* Add `all.yml` for profile installation demonstration.
+* Add `_tests.yml` profile for profile post-steps demonstration.
+
+**Changed:**
+
+* Update names to skpkg standard.
+* Change requirements dir for packs and profiles management.
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

pyproject.toml

@@ -49,7 +49,6 @@ exclude = []  # exclude packages matching these glob patterns (empty by default)
 namespaces = false  # to disable scanning PEP 420 namespaces (true by default)
 
 [project.scripts]
-# diffpy-cmi = "diffpy.cmi.apps.cmi:main"
 cmi = "diffpy.cmi.cli:main"
 
 [tool.setuptools.dynamic]

requirements/conda.txt

@@ -0,0 +1,6 @@
+# temporary before updating skpkg release-scripts
+packaging
+PyYAML
+diffpy.utils
+diffpy.srfit
+diffpy.structure

requirements/packs/scripts/_pytest.sh

@@ -1,7 +1,7 @@
 #!/usr/bin/env bash
 # Usage:
-#   ./run-remote-tests.sh urls.txt
-#   ./run-remote-tests.sh https://host/a.tar.gz https://host/b.tgz
+#   ./_pytest.sh urls.txt
+#   ./_pytest.sh https://host/a.tar.gz https://host/b.tgz
 # From ChatGPT
 
 set -euo pipefail
@@ -26,7 +26,7 @@ cd "$TMPROOT"
 overall_ec=0
 i=0
 for url in "${URLS[@]}"; do
-  ((i++))
+  ((++i))
   echo -e "\n==> [$i] $url"
 
   tarball="$(mktemp -p "$TMPROOT" "dl_${i}.XXXXXX.tar.gz")"

requirements/tests.txt

@@ -0,0 +1,10 @@
+# temporary before updating skpkg release-scripts
+flake8
+pytest
+codecov
+coverage
+pytest-cov
+pytest-env
+pytest-mock
+freezegun
+DeepDiff

src/diffpy/cmi/cli.py

@@ -4,7 +4,7 @@
 # (c) 2025 The Trustees of Columbia University in the City of New York.
 # All rights reserved.
 #
-# File coded by: Simon Billinge and members of the Billinge Group.
+# File coded by: Tieqiong Zhang and members of the Billinge Group.
 #
 # See GitHub contributions for a more detailed list of contributors.
 # https://github.com/diffpy/diffpy.cmi/graphs/contributors

src/diffpy/cmi/conda.py

@@ -4,7 +4,7 @@
 # (c) 2025 The Trustees of Columbia University in the City of New York.
 # All rights reserved.
 #
-# File coded by: Simon Billinge and members of the Billinge Group.
+# File coded by: Tieqiong Zhang and members of the Billinge Group.
 #
 # See GitHub contributions for a more detailed list of contributors.
 # https://github.com/diffpy/diffpy.cmi/graphs/contributors

src/diffpy/cmi/installer.py

@@ -4,7 +4,7 @@
 # (c) 2025 The Trustees of Columbia University in the City of New York.
 # All rights reserved.
 #
-# File coded by: Simon Billinge and members of the Billinge Group.
+# File coded by: Tieqiong Zhang and members of the Billinge Group.
 #
 # See GitHub contributions for a more detailed list of contributors.
 # https://github.com/diffpy/diffpy.cmi/graphs/contributors

src/diffpy/cmi/log.py

@@ -4,7 +4,7 @@
 # (c) 2025 The Trustees of Columbia University in the City of New York.
 # All rights reserved.
 #
-# File coded by: Simon Billinge and members of the Billinge Group.
+# File coded by: Tieqiong Zhang and members of the Billinge Group.
 #
 # See GitHub contributions for a more detailed list of contributors.
 # https://github.com/diffpy/diffpy.cmi/graphs/contributors