mdkits 0.1.25__py3-none-any.whl → 0.1.26__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.

Potentially problematic release.

This version of mdkits might be problematic. Click here for more details.

Files changed (6) hide show
  1. mdkits/build_cli/build_solution.py +1 -11
  2. {mdkits-0.1.25.dist-info → mdkits-0.1.26.dist-info}/METADATA +1 -1
  3. {mdkits-0.1.25.dist-info → mdkits-0.1.26.dist-info}/RECORD +6 -6
  4. {mdkits-0.1.25.dist-info → mdkits-0.1.26.dist-info}/LICENSE +0 -0
  5. {mdkits-0.1.25.dist-info → mdkits-0.1.26.dist-info}/WHEEL +0 -0
  6. {mdkits-0.1.25.dist-info → mdkits-0.1.26.dist-info}/entry_points.txt +0 -0
mdkits/build_cli/build_solution.py CHANGED
@@ -36,17 +36,7 @@ def main(filename, infile, install_julia, install_packmol, water_number, n, tole
36
36
  elif os_name == "Windows":
37
37
  try:
38
38
  subprocess.run(
39
- [
40
- "winget",
41
- "install",
42
- "--name",
43
- "Julia",
44
- "--id",
45
- "9NJNWW8PVKMN",
46
- "-e",
47
- "-s",
48
- "msstore",
49
- ],
39
+ [ "winget install --name Julia --id 9NJNWW8PVKMN -e -s msstore" ],
50
40
  check=True,
51
41
  )
52
42
  print("Julia installed (Windows).")
{mdkits-0.1.25.dist-info → mdkits-0.1.26.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.3
2
2
  Name: mdkits
3
- Version: 0.1.25
3
+ Version: 0.1.26
4
4
  Summary: kits for md or dft
5
5
  License: MIT
6
6
  Keywords: molecular dynamics,density functional theory
{mdkits-0.1.25.dist-info → mdkits-0.1.26.dist-info}/RECORD RENAMED
@@ -4,7 +4,7 @@ mdkits/build_cli/adsorbate.py,sha256=Zp21i-miFv5zQlYjZnZuVpMxvNVT-6RtdlaoWDMwaOg
4
4
  mdkits/build_cli/build_bulk.py,sha256=o3SFov5Ggk-qKcy6-NBoIYKvZV24OhcH3-du1d0U6H4,1593
5
5
  mdkits/build_cli/build_cli.py,sha256=sqjnq5aHWLYLbNzN5SORkEYeYaewLagFuSvspJxyh7E,725
6
6
  mdkits/build_cli/build_interface.py,sha256=3EDxUb-vGHFuat1Ex_wojVsN8PtzHiGrnDQIEa9WZ60,2448
7
- mdkits/build_cli/build_solution.py,sha256=Q-u6urF33s2_HzoeQQZvJ_L9HbMG9BbRcNvGbdW6SpM,5568
7
+ mdkits/build_cli/build_solution.py,sha256=2_95hC9bKI395DYZUwKKrmbFjETXPH5oLZEgzdEf1Ro,5297
8
8
  mdkits/build_cli/build_surface.py,sha256=cBEQ-KR_6j-Mcsxrwvzyl6p1SiY_chIytrCu7MS3q08,2794
9
9
  mdkits/build_cli/cut_surface.py,sha256=R0Snr-y23SYLfNhdBC5VgT4KFY1SOGn5hZlVvX5CUvw,2757
10
10
  mdkits/build_cli/supercell.py,sha256=3iTTt3DHaERWDFonhBRS0oqWhjFh6pbS5SpIR-O1gYg,1034
@@ -36,8 +36,8 @@ mdkits/util/numpy_geo.py,sha256=1Op8THoQeyqybSZAi7hVxohYCr4SzY6ndZC8_gAGXDA,3619
36
36
  mdkits/util/os_operation.py,sha256=ErN2ExjX9vZRfPe3ypsj4eyoQTEePqzlEX0Xm1N4lL4,980
37
37
  mdkits/util/out_err.py,sha256=b4eFz9kqqNReK9UCHak9k5tBlEj9yHAIADDTRbaNaNk,693
38
38
  mdkits/util/structure_parsing.py,sha256=mRPMJeih3O-ST7HeETDvBEkfV-1psT-XgxyYgDadV0U,4152
39
- mdkits-0.1.25.dist-info/entry_points.txt,sha256=xoWWZ_yL87S501AzCO2ZjpnVuYkElC6z-8J3tmuIGXQ,44
40
- mdkits-0.1.25.dist-info/LICENSE,sha256=VLaqyB0r_H7y3hUntfpPWcE3OATTedHWI983htLftcQ,1081
41
- mdkits-0.1.25.dist-info/METADATA,sha256=ZQeIwblsUJJGmAieVJLKnqP3LcJykGIDN6ib5TFwQao,6907
42
- mdkits-0.1.25.dist-info/WHEEL,sha256=XbeZDeTWKc1w7CSIyre5aMDU_-PohRwTQceYnisIYYY,88
43
- mdkits-0.1.25.dist-info/RECORD,,
39
+ mdkits-0.1.26.dist-info/entry_points.txt,sha256=xoWWZ_yL87S501AzCO2ZjpnVuYkElC6z-8J3tmuIGXQ,44
40
+ mdkits-0.1.26.dist-info/LICENSE,sha256=VLaqyB0r_H7y3hUntfpPWcE3OATTedHWI983htLftcQ,1081
41
+ mdkits-0.1.26.dist-info/METADATA,sha256=l93pyl_gJK1aW05hwqtA1vSKrXMMgSuTWPv95bzJdAQ,6907
42
+ mdkits-0.1.26.dist-info/WHEEL,sha256=XbeZDeTWKc1w7CSIyre5aMDU_-PohRwTQceYnisIYYY,88
43
+ mdkits-0.1.26.dist-info/RECORD,,