Set version v2.2.0

doc/changelog.md

@@ -2,6 +2,19 @@
 
 # Change Log
 
+## Feb-14-2022: Version 2.2.0
+
+- Maintenance release to follow the change of phonopy at v2.12.1.
+- Installation using `setup.py` now requires creating `site.cfg` file. See
+  https://phonopy.github.io/phono3py/install.html and
+  [PR #59](https://github.com/phonopy/phono3py/pull/59).
+- Dorp python 3.6 support, and dependencies of numpy and matplotlib versions are
+  updated:
+
+  - Python >= 3.7
+  - numpy >= 1.15.0
+  - matplotlib >= 2.2.2
+
 ## Nov-3-2021: Version 2.1.0
 
 - Fix of a critical bung in the direct solution. See the detail as commit log of

doc/conf.py

@@ -49,9 +49,9 @@ copyright = u"2015, Atsushi Togo"
 # built documents.
 #
 # The short X.Y version.
-version = "2.1"
+version = "2.2"
 # The full version, including alpha/beta/rc tags.
-release = "2.1.0"
+release = "2.2.0"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.

phono3py/version.py

@@ -33,4 +33,4 @@
 # ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
 # POSSIBILITY OF SUCH DAMAGE.
 
-__version__ = "2.1.0"
+__version__ = "2.2.0"

requirements.txt

@@ -2,4 +2,4 @@ numpy >= 1.15.0
 PyYAML
 matplotlib >= 2.2.2
 h5py
-phonopy >=2.12,<2.13
+phonopy >=2.13,<2.14

setup.py

@@ -4,6 +4,22 @@ import os
 import numpy
 import setuptools
 
+# Ensure that 'site.cfg' exists.
+if not os.path.exists("site.cfg"):
+    msg_list = [
+        '"site.cfg" file is needed to run setup.py.',
+        "See about installation at https://phonopy.github.io/phono3py/install.html.",
+        "A minimum setting of site.cfg to build with openmp support is:",
+        "# ------------------------------",
+        "[phono3py]",
+        "extra_compile_args = -fopenmp",
+        "# ------------------------------",
+        "Please create an emply site.cfg (no-openmp support) to run setup.py",
+        "unless any custom setting is needed, although this is considered unusual.",
+    ]
+
+    raise FileNotFoundError("\n".join(msg_list))
+
 # Retrieve the default flags from the numpy installation
 # This also means one can override this with a site.cfg
 # configuration file
@@ -178,7 +194,7 @@ if __name__ == "__main__":
             "matplotlib>=2.2.2",
             "h5py",
             "spglib",
-            "phonopy>=2.12,<2.13",
+            "phonopy>=2.13,<2.14",
         ],
         provides=["phono3py"],
         scripts=scripts_phono3py,