Update dep and fix README

FAIRmat-NFDI · Oct 2, 2024 · bf48a74 · bf48a74 · github-actions · Oct 2, 2024
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Showing 2 changed files with 3 additions and 2 deletions.
diff --git a/README.md b/README.md
@@ -20,7 +20,7 @@ pip install nomad-parser-wannier90 --index-url https://gitlab.mpcdf.mpg.de/api/v
 
 ## Development
 
-If you want to develop locally this package, clone the project and in the workspace folder, create a virtual environment (you can use Python 3.9, 3.10, or 3.11):
+If you want to develop locally this package, clone the project and in the workspace folder, create a virtual environment (you can use Python 3.9, 3.10, 3.11, or 3.12):
 ```sh
 git clone https://github.com/nomad-coe/nomad-parser-wannier90.git
 cd nomad-parser-wannier90

diff --git a/pyproject.toml b/pyproject.toml
@@ -10,6 +10,7 @@ classifiers = [
     "Programming Language :: Python :: 3.9",
     "Programming Language :: Python :: 3.10",
     "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
     "License :: OSI Approved :: Apache Software License",
 ]
 name = "nomad-parser-wannier90"
@@ -26,7 +27,7 @@ maintainers = [
 license = { file = "LICENSE" }
 dependencies = [
     "nomad-lab@git+https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git@ea0e5cbc632a514ea4d7e0bca1fab105d452f94c",
-    "nomad-simulations@git+https://github.com/nomad-coe/nomad-simulations.git@7c101b80f14d500d6c8bc266a001444b4ba35ea9",
+    "nomad-simulations@git+https://github.com/nomad-coe/nomad-simulations.git@6a7668bcda0c074f8696eddccf326973acff41ac",
 ]
 
 [project.urls]
File	Stmts	Miss	Cover	Missing
src/nomad_parser_wannier90
__init__.py	4	2	50%	3–4
_version.py	11	2	82%	5–6
src/nomad_parser_wannier90/parsers
__init__.py	10	2	80%	24–26
band_parser.py	51	15	71%	4, 24, 50–51, 73–74, 77–78, 85–89, 98–99, 104–105
dos_parser.py	18	1	94%	13
hr_parser.py	48	9	81%	4, 28, 46–47, 59–60, 94–96
parser.py	215	30	86%	8–9, 208, 262–263, 303, 360–361, 378, 395, 412, 468–471, 501, 533–581
win_parser.py	108	20	81%	5, 35–36, 65, 162, 169–171, 210, 221–222, 252–255, 262, 264–265, 269, 286–290
src/nomad_parser_wannier90/parsers/utils
utils.py	31	15	52%	4, 35–37, 56–74
src/nomad_parser_wannier90/schema_packages
__init__.py	8	2	75%	9–11
package.py	5	5	0%	1–11
TOTAL	510	103	80%