ion-CSP 2.1.3__py3-none-any.whl → 2.1.4__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (8) hide show
  1. ion_CSP/__init__.py +2 -2
  2. ion_CSP/task_manager.py +5 -8
  3. {ion_csp-2.1.3.dist-info → ion_csp-2.1.4.dist-info}/METADATA +5 -5
  4. {ion_csp-2.1.3.dist-info → ion_csp-2.1.4.dist-info}/RECORD +8 -8
  5. {ion_csp-2.1.3.dist-info → ion_csp-2.1.4.dist-info}/WHEEL +0 -0
  6. {ion_csp-2.1.3.dist-info → ion_csp-2.1.4.dist-info}/entry_points.txt +0 -0
  7. {ion_csp-2.1.3.dist-info → ion_csp-2.1.4.dist-info}/licenses/LICENSE +0 -0
  8. {ion_csp-2.1.3.dist-info → ion_csp-2.1.4.dist-info}/top_level.txt +0 -0
ion_CSP/__init__.py CHANGED
@@ -1,8 +1,8 @@
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  __author__ = "Ze Yang"
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  __contact__ = "yangze1995007@163.com"
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  __license__ = "MIT"
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- __version__ = "2.1.3"
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- __date__ = "2025-06-11"
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+ __version__ = "2.1.4"
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+ __date__ = "2025-06-13"
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  try:
ion_CSP/task_manager.py CHANGED
@@ -29,18 +29,15 @@ class TaskManager:
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  def _get_version(self):
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  """版本获取"""
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  try:
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- # 使用 importlib 动态加载
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- spec = importlib.util.spec_from_file_location(
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- "ion_CSP",
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- os.path.join(self.project_root, "src/ion_CSP/__init__.py")
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- )
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- module = importlib.util.module_from_spec(spec)
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- spec.loader.exec_module(module)
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- return module.__version__
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+ return importlib.metadata.version("ion_CSP")
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+ except importlib.metadata.PackageNotFoundError:
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+ logging.error("Version detection failed")
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+ return "unknown"
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  except Exception as e:
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  logging.error(f"Version detection failed: {e}")
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  return "unknown"
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+
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  def _detect_env(self):
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  """检测运行环境 - Detect execution environment"""
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  if Path("/.dockerenv").exists() or "DOCKER" in os.environ:
{ion_csp-2.1.3.dist-info → ion_csp-2.1.4.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: ion_CSP
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- Version: 2.1.3
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+ Version: 2.1.4
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  Summary: Crystal Structure Design Software Based on Molecular/Ionic Configuration.
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  Home-page: https://github.com/bagabaga007/ion_CSP
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  Author: Ze Yang
@@ -132,8 +132,8 @@ graph TD
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  本项目采用MIT许可证，详见LICENSE文件。
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  ## 技术支持
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- - **文档更新**：2025年5月
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- - **最新版本**：v2.1.0
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+ - **文档更新**：2025年6月
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+ - **最新版本**：v2.1.4
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  - **问题追踪**：https://github.com/bagabaga007/ion_CSP/issues
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  ---
@@ -239,6 +239,6 @@ graph TD
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  MIT License, see LICENSE file.
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  ## Support
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- - Documentation last updated: May 2025
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- - Latest version: v2.1.0
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+ - Documentation last updated: June 2025
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+ - Latest version: v2.1.4
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  - Issue tracker: https://github.com/bagabaga007/ion_CSP/issues
{ion_csp-2.1.3.dist-info → ion_csp-2.1.4.dist-info}/RECORD RENAMED
@@ -1,4 +1,4 @@
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- ion_CSP/__init__.py,sha256=axZa2cdqI7GY7iU5xGNsBIcYL4SqyozbGJ-76Blzf9I,374
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+ ion_CSP/__init__.py,sha256=z8s8-SHg97wrfYV48nVCtHYsIVIaMOxyvZGZFZkQmGM,374
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  ion_CSP/__main__.py,sha256=XlNCx5eMSrL7yld9ddSYXhjXvg2ZYGD_uk9LdqNabvs,74
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  ion_CSP/convert_SMILES.py,sha256=4fndMcuIEypYtkXWBoS7W7uEXkZXVLeMDshdXEIk5kY,13864
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  ion_CSP/empirical_estimate.py,sha256=_U5VRWSIAiJGcxnP3mnCHn8zKzviFEQhQwN7TjPTnCU,29089
@@ -8,10 +8,10 @@ ion_CSP/log_and_time.py,sha256=-RCycW1VB7sa3bjQZiF7c8i73iam8S41qgJxlHRqJaw,9406
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  ion_CSP/mlp_opt.py,sha256=ox4Qxg4D6WzrB8dxVnUWmAngnOA_wdcInP5UhBWsH4c,5535
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  ion_CSP/read_mlp_density.py,sha256=3N7kgM2RCe1gbP8QxpgtwYRaj77w4niNglWA5VDoQsk,11209
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  ion_CSP/steps_opt_monitor.sh,sha256=1klPjnK0gqkDbvI9PtjdK5qidJ5G0Mo8q1SfrlLW5xM,3330
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- ion_CSP/task_manager.py,sha256=TZPsbwUWoUIG_Kmsa-WcEh_rWx8WaKkj6SworG_qk9w,16733
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+ ion_CSP/task_manager.py,sha256=139jv-esHJCHgVneaYtmdTcANTiwWYRC9mr46FGFk6E,16569
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  ion_CSP/upload_download.py,sha256=Hiz5jKOy9x26hJJdcpt-owQdVUbzzGuGOelro6JozY8,23801
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  ion_CSP/vasp_processing.py,sha256=TshMNs7fA0zABvk4sKlVjofJFwGH9DVYcCGbcUpoH1s,31542
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- ion_csp-2.1.3.dist-info/licenses/LICENSE,sha256=2J6A8GT2iIf2LhuWO1_0ilgx7ijzzpQ2BXU7rHKe8Cc,1068
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+ ion_csp-2.1.4.dist-info/licenses/LICENSE,sha256=2J6A8GT2iIf2LhuWO1_0ilgx7ijzzpQ2BXU7rHKe8Cc,1068
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  run/__init__.py,sha256=_9EAXp4cv41ARbxahCkihwqY4F00Y18tBeTauWeD9mw,186
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  run/main_CSP.py,sha256=UaYHlh7BSxar4uGppPi-V0cFDpB14212Oy6gta59LfA,5898
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  run/main_EE.py,sha256=4L0VbbgUaYaDJM-6EjffphxMoWAHaZchEaSCVJxsdls,6345
@@ -21,8 +21,8 @@ run/run_gen_opt.py,sha256=_Zcsu0FkuZTfiGKSWNaK17LiyQ3qrP30F66UN5QemCo,2727
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  run/run_read_mlp_density.py,sha256=aSJjWS1jH-D7qzx7RnpMPSTH7KEZp2b35dg1b2OQSCM,1864
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  run/run_upload_download.py,sha256=wuTAdy4bgdduD7TJtgHwo_fTpHKlkAwmgRknClDLYDo,2436
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  run/run_vasp_processing.py,sha256=hziE4cZwmIWvVaZtwHn9Dl35apYSLlMvSVIbCyd5mFg,1612
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- ion_csp-2.1.3.dist-info/METADATA,sha256=_Ij1Ms_VyN0ZxGkw0FEs_3BcEaW-dvcaJKTakHeHsmQ,6524
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- ion_csp-2.1.3.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- ion_csp-2.1.3.dist-info/entry_points.txt,sha256=NexQJDs9f69kJA2DgoU6tsA3V8a66nadJRem1U_c_6g,54
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- ion_csp-2.1.3.dist-info/top_level.txt,sha256=Vp0RHefYscYU7uQ4Fu6bOKhC_ASrdGOzZxYfN5r0f2M,12
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- ion_csp-2.1.3.dist-info/RECORD,,
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+ ion_csp-2.1.4.dist-info/METADATA,sha256=KFvozMiRwnhzOd06lZbpbVg3EnTatykWAVd_423B_e0,6525
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+ ion_csp-2.1.4.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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+ ion_csp-2.1.4.dist-info/entry_points.txt,sha256=NexQJDs9f69kJA2DgoU6tsA3V8a66nadJRem1U_c_6g,54
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+ ion_csp-2.1.4.dist-info/top_level.txt,sha256=Vp0RHefYscYU7uQ4Fu6bOKhC_ASrdGOzZxYfN5r0f2M,12
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+ ion_csp-2.1.4.dist-info/RECORD,,