Renaming the library to wannier90io

As discussed during the 2023 Wannier meeting

Author: giovannipizzi

README.md

@@ -15,16 +15,16 @@ nnkp_fpath = "./tests/fixtures/wannier90-3.1.0/examples/example01/wannier.nnkp"
 ```python
 import pprint
 
-import w90io
+import wannier90io
 
 
 pp = pprint.PrettyPrinter()
 
 with open(win_fpath, 'r') as fh:
-    parsed_win = w90io.parse_win_raw(fh.read())
+    parsed_win = wannier90io.parse_win_raw(fh.read())
 
 with open(nnkp_fpath, 'r') as fh:
-    parsed_nnkp = w90io.parse_nnkp_raw(fh.read())
+    parsed_nnkp = wannier90io.parse_nnkp_raw(fh.read())
 
 pp.pprint(parsed_win)
 pp.pprint(parsed_nnkp)

docs/api.md

@@ -1,9 +1,9 @@
 # API Reference
 
-::: w90io.parse_win_raw
-::: w90io.parse_nnkp_raw
-::: w90io.parse_wout_iteration_info
-::: w90io.read_amn
-::: w90io.write_amn
-::: w90io.read_eig
-::: w90io.write_eig
+::: wannier90io.parse_win_raw
+::: wannier90io.parse_nnkp_raw
+::: wannier90io.parse_wout_iteration_info
+::: wannier90io.read_amn
+::: wannier90io.write_amn
+::: wannier90io.read_eig
+::: wannier90io.write_eig

mkdocs.yml

@@ -35,7 +35,7 @@ plugins:
             show_source: true
             members_order: source
       watch:
-        - src/w90io
+        - src/wannier90io
 
 extra:
   social:

pyproject.toml

@@ -6,4 +6,4 @@ build-backend = "setuptools.build_meta"
 select = ["E231"]
 
 [tool.pytest.ini_options]
-addopts = "--cov=w90io --codeblocks"
+addopts = "--cov=wannier90io --codeblocks"

setup.cfg

@@ -1,5 +1,5 @@
 [metadata]
-name = w90io
+name = wannier90io
 version = 0.1.0
 author = Jamal I. Mustafa
 author_email = [email protected]
@@ -25,4 +25,4 @@ where = src
 
 [options.entry_points]
 console_scripts =
-    w90io = w90io.__main__:main
+    wannier90io = wannier90io.__main__:main

src/w90io/__init__.py renamed to src/wannier90io/__init__.py

@@ -2,7 +2,7 @@
 import re
 import pprint
 
-import w90io
+import wannier90io
 
 
 pp = pprint.PrettyPrinter(indent=2, width=120)
@@ -12,9 +12,9 @@
 def parse_win(args):
     contents = args.file.read()
 
-    comments = w90io._core.extract_comments(contents)
-    parameters = w90io._core.extract_parameters(contents)
-    blocks = w90io._core.extract_blocks(contents)
+    comments = wannier90io._core.extract_comments(contents)
+    parameters = wannier90io._core.extract_parameters(contents)
+    blocks = wannier90io._core.extract_blocks(contents)
 
     if args.extract_only:
         pp.pprint({
@@ -23,7 +23,7 @@ def parse_win(args):
             'blocks': blocks,
         })
     else:
-        parsed_win = w90io.parse_win_raw(contents)
+        parsed_win = wannier90io.parse_win_raw(contents)
         if args.parameters:
             pp.pprint({
                 parameter: parsed_win['parameters'][parameter]
@@ -39,7 +39,7 @@ def parse_win(args):
 
 
 def parse_wout_iteration_info(args):
-    parsed_iteration_info = w90io.parse_wout_iteration_info(args.file)
+    parsed_iteration_info = wannier90io.parse_wout_iteration_info(args.file)
 
     if args.convergence:
         pp.pprint(parsed_iteration_info['convergence'])
@@ -60,9 +60,9 @@ def parse_wout_iteration_info(args):
 def parse_nnkp(args):
     contents = args.file.read()
 
-    comments = w90io._core.extract_comments(contents)
-    parameters = w90io._core.extract_parameters(contents)
-    blocks = w90io._core.extract_blocks(contents)
+    comments = wannier90io._core.extract_comments(contents)
+    parameters = wannier90io._core.extract_parameters(contents)
+    blocks = wannier90io._core.extract_blocks(contents)
 
     if args.extract_only:
         pp.pprint({
@@ -71,7 +71,7 @@ def parse_nnkp(args):
             'blocks': blocks,
         })
     else:
-        parsed_nnkp = w90io.parse_nnkp_raw(contents)
+        parsed_nnkp = wannier90io.parse_nnkp_raw(contents)
         if args.parameters:
             pp.pprint({
                 parameter: parsed_nnkp['parameters'][parameter]
@@ -88,7 +88,7 @@ def parse_nnkp(args):
 
 def info_amn(args):
     with args.file:
-        amn = w90io.read_amn(args.file)
+        amn = wannier90io.read_amn(args.file)
 
     print(f'Nk = {amn.shape[0]}')
     print(f'Nb = {amn.shape[1]}')
@@ -97,7 +97,7 @@ def info_amn(args):
 
 def info_eig(args):
     with args.file:
-        eig = w90io.read_eig(args.file)
+        eig = wannier90io.read_eig(args.file)
 
     print(f'Nk = {eig.shape[0]}')
     print(f'Nb = {eig.shape[1]}')